<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:a="http://www.iochem-bd.org/dictionary/adf/"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="adf.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Jul07-2020 12:38:18</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">GEOMETRY OPTIMIZATION</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.0">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.1">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.2">TZP</scalar>
               </parameter>
            </parameterList>
            <molecule id="coordinates">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="2.5167"
                        y3="-2.6864"
                        z3="-4.3294"/>
                  <atom elementType="O"
                        id="a2"
                        x3="0.0611"
                        y3="-3.2755"
                        z3="-3.2636"/>
                  <atom elementType="O"
                        id="a3"
                        x3="-0.8076"
                        y3="-4.9989"
                        z3="-5.7074"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-0.3353"
                        y3="-2.0718"
                        z3="-5.7832"/>
                  <atom elementType="O"
                        id="a5"
                        x3="1.8333"
                        y3="-5.1119"
                        z3="-4.1128"/>
                  <atom elementType="O"
                        id="a6"
                        x3="2.7174"
                        y3="-7.6470"
                        z3="-4.9969"/>
                  <atom elementType="O"
                        id="a7"
                        x3="0.7567"
                        y3="-6.6888"
                        z3="-1.8351"/>
                  <atom elementType="O"
                        id="a8"
                        x3="0.0691"
                        y3="-7.4396"
                        z3="-4.4412"/>
                  <atom elementType="O"
                        id="a9"
                        x3="2.1281"
                        y3="-8.7070"
                        z3="-2.6944"/>
                  <atom elementType="O"
                        id="a10"
                        x3="3.5602"
                        y3="-6.1532"
                        z3="-2.7838"/>
                  <atom elementType="O"
                        id="a11"
                        x3="4.6428"
                        y3="-4.3627"
                        z3="-4.6480"/>
                  <atom elementType="O"
                        id="a12"
                        x3="2.0384"
                        y3="-3.5797"
                        z3="-1.9216"/>
                  <atom elementType="O"
                        id="a13"
                        x3="4.2297"
                        y3="-10.3681"
                        z3="-2.5194"/>
                  <atom elementType="O"
                        id="a14"
                        x3="1.7780"
                        y3="-10.9402"
                        z3="-1.3620"/>
                  <atom elementType="O"
                        id="a15"
                        x3="2.0614"
                        y3="0.0631"
                        z3="-4.8485"/>
                  <atom elementType="O"
                        id="a16"
                        x3="4.8276"
                        y3="-4.4742"
                        z3="-1.7179"/>
                  <atom elementType="O"
                        id="a17"
                        x3="6.8923"
                        y3="-3.3282"
                        z3="-0.1829"/>
                  <atom elementType="Mo"
                        id="a18"
                        x3="3.5257"
                        y3="-4.2284"
                        z3="-3.2825"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.2487"
                        y3="-6.2269"
                        z3="-0.1476"/>
                  <atom elementType="Mo"
                        id="a20"
                        x3="2.9248"
                        y3="-9.5857"
                        z3="-1.0967"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.1225"
                        y3="-8.2796"
                        z3="0.0290"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.2238"
                        y3="-7.2229"
                        z3="-1.1568"/>
                  <atom elementType="O"
                        id="a23"
                        x3="4.3097"
                        y3="-2.3608"
                        z3="-2.7414"/>
                  <atom elementType="O"
                        id="a24"
                        x3="3.9515"
                        y3="-10.4373"
                        z3="0.1262"/>
                  <atom elementType="H"
                        id="a25"
                        x3="6.7350"
                        y3="-4.0544"
                        z3="-3.3381"/>
                  <atom elementType="O"
                        id="a26"
                        x3="6.3822"
                        y3="-0.8890"
                        z3="-1.3271"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.7371"
                        y3="-1.1571"
                        z3="-2.1731"/>
                  <atom elementType="O"
                        id="a28"
                        x3="6.3934"
                        y3="-6.6913"
                        z3="-2.8851"/>
                  <atom elementType="H"
                        id="a29"
                        x3="0.9300"
                        y3="-1.4072"
                        z3="-2.6822"/>
                  <atom elementType="H"
                        id="a30"
                        x3="5.4865"
                        y3="-1.3808"
                        z3="-4.8351"/>
                  <atom elementType="O"
                        id="a31"
                        x3="4.6228"
                        y3="-8.2598"
                        z3="-1.2638"/>
                  <atom elementType="H"
                        id="a32"
                        x3="3.9829"
                        y3="-9.8231"
                        z3="-3.3867"/>
                  <atom elementType="O"
                        id="a33"
                        x3="4.7487"
                        y3="-0.9040"
                        z3="-5.2740"/>
                  <atom elementType="H"
                        id="a34"
                        x3="2.6549"
                        y3="-3.4782"
                        z3="-6.0079"/>
                  <atom elementType="O"
                        id="a35"
                        x3="7.0065"
                        y3="-3.1385"
                        z3="-3.0994"/>
                  <atom elementType="O"
                        id="a36"
                        x3="4.3674"
                        y3="-2.4179"
                        z3="-0.0468"/>
                  <atom elementType="O"
                        id="a37"
                        x3="1.8584"
                        y3="-3.6971"
                        z3="-6.5486"/>
                  <atom elementType="O"
                        id="a38"
                        x3="3.4482"
                        y3="-6.2626"
                        z3="0.1442"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.9013"
                        y3="0.3071"
                        z3="-2.7603"/>
                  <atom elementType="Mo"
                        id="a40"
                        x3="5.1935"
                        y3="-6.5168"
                        z3="-1.5686"/>
                  <atom elementType="Mo"
                        id="a41"
                        x3="5.9174"
                        y3="-2.5920"
                        z3="-1.4640"/>
                  <atom elementType="Mo"
                        id="a42"
                        x3="3.2525"
                        y3="-0.8598"
                        z3="-3.9173"/>
                  <atom elementType="Mo"
                        id="a43"
                        x3="0.4450"
                        y3="-3.5162"
                        z3="-5.1266"/>
                  <atom elementType="Mo"
                        id="a44"
                        x3="1.6351"
                        y3="-7.0608"
                        z3="-3.7041"/>
                  <atom elementType="H"
                        id="a45"
                        x3="1.9891"
                        y3="-2.4170"
                        z3="-1.9233"/>
                  <atom elementType="H"
                        id="a46"
                        x3="2.7747"
                        y3="-7.2281"
                        z3="-0.0673"/>
                  <atom elementType="H"
                        id="a47"
                        x3="2.9180"
                        y3="-5.6783"
                        z3="-0.4363"/>
                  <atom elementType="H"
                        id="a48"
                        x3="3.6287"
                        y3="-2.6210"
                        z3="-0.6629"/>
                  <atom elementType="H"
                        id="a49"
                        x3="1.0222"
                        y3="-3.4855"
                        z3="-2.5161"/>
                  <atom elementType="H"
                        id="a50"
                        x3="6.1614"
                        y3="-7.6148"
                        z3="-2.8876"/>
                  <atom elementType="H"
                        id="a51"
                        x3="-0.6777"
                        y3="-6.1184"
                        z3="-5.7472"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a18" order="S"/>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a3 a43" order="S"/>
                  <bond atomRefs2="a3 a51" order="S"/>
                  <bond atomRefs2="a4 a43" order="S"/>
                  <bond atomRefs2="a5 a44" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a6 a44" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a44" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a10 a40" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a49" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a40" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a27 a45" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a40" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a35 a41" order="S"/>
                  <bond atomRefs2="a36 a41" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
               </bondArray>
               <formula concise="H13Mo7O31"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1167.5614000000005</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/7Mo.H3O3.H2O2.8H2O.18O/c;;;;;;;1-4-3-5-2;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1H;1H;8*1H2;;;;;;;;;;;;;;;;;;/q;3*+1;2*+2;+3;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH13Mo7O31/c8-1(9,10)28-42-38(41-27)7(25)30-2(11,12,13)29-5(21,22,23,34-40-26)32-6(24,33-7,35-39-6)37(7)4(17,18,19,20)36(7)3(14,15,16)31-7/h8-9,11,14,17-18,21,26-27H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;40;42;44;20;41;43;27,2,12,45,49;38,21,46;3;7;13;35;28;33;37;36;1;4;5;6;8;9;10;11;14;15;16;17;19;23;24;26;31;39/CRV:;;;;;;;2-1,4.2,5.2;2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nOOOO1OO1OO1OOO1O3OO1O1O3O1MoO1MoOHO3O1HO1OOHHOHOHOOOOO1MoMoMoMoMoH2H2HHH2H2H/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;s20;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s33s39;s2s3s4s37;s5s6s7s8s9;s12s27;s21s38;s38;s36;s2s12;s28s40;s3;/rC:2.5167,-2.6864,-4.3294;.0611,-3.2755,-3.2636;-.8076,-4.9989,-5.7074;-.3353,-2.0718,-5.7832;1.8333,-5.1119,-4.1128;2.7174,-7.647,-4.9969;.7567,-6.6888,-1.8351;.0691,-7.4396,-4.4412;2.1281,-8.707,-2.6944;3.5602,-6.1532,-2.7838;4.6428,-4.3627,-4.648;2.0384,-3.5797,-1.9216;4.2297,-10.3681,-2.5194;1.778,-10.9402,-1.362;2.0614,.0631,-4.8485;4.8276,-4.4742,-1.7179;6.8923,-3.3282,-.1829;3.5257,-4.2284,-3.2825;6.2487,-6.2269,-.1476;2.9248,-9.5857,-1.0967;2.1225,-8.2796,.029;1.2238,-7.2229,-1.1568;4.3097,-2.3608,-2.7414;3.9515,-10.4373,.1262;6.735,-4.0544,-3.3381;6.3822,-.889,-1.3271;1.7371,-1.1571,-2.1731;6.3934,-6.6913,-2.8851;.93,-1.4072,-2.6822;5.4865,-1.3808,-4.8351;4.6228,-8.2598,-1.2638;3.9829,-9.8231,-3.3867;4.7487,-.904,-5.274;2.6549,-3.4782,-6.0079;7.0065,-3.1385,-3.0994;4.3674,-2.4179,-.0468;1.8584,-3.6971,-6.5486;3.4482,-6.2626,.1442;3.9013,.3071,-2.7603;5.1935,-6.5168,-1.5686;5.9174,-2.592,-1.464;3.2525,-.8598,-3.9173;.445,-3.5162,-5.1266;1.6351,-7.0608,-3.7041;1.9891,-2.417,-1.9233;2.7747,-7.2281,-.0673;2.918,-5.6783,-.4363;3.6287,-2.621,-.6629;1.0222,-3.4855,-2.5161;6.1614,-7.6148,-2.8876;-.6777,-6.1184,-5.7472;/R:/0/N:43,44,42,41,20,40,18,3,37,4,7,6,8,33,15,39,35,36,17,26,13,14,24,19,11,38,27,2,9,5,1,31,10,21,28,23,16,12,50,46,45,49/E:(8,9)(12,13)(15,16)(17,18)(19,20)(22,23)/CRV:7.7,10.1,12.1,13.1,15.1,16.1,19.1,20.1,22.1,23.1,24.1,25.1,36.3,37.3,38.3,39.2,40.2,41.2,42.2</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="211" startLine="209">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="215" startLine="213">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="224" startLine="217">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.O</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jul07-2020 12:38:15</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Oxygen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Mo" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Mo</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jul07-2020 12:38:13</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Molybdenum</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4p</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="H" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.H</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Jul07-2020 12:38:11</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Hydrogen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                        </atom>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">1</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">1</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.33993427</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.23617753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03920657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.23617753</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03920657</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.30729750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03538790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.514854"
                                 y3="-2.685786"
                                 z3="-4.338561"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.075353"
                                 y3="-3.268754"
                                 z3="-3.286642"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.757458"
                                 y3="-5.037035"
                                 z3="-5.606808"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.35423"
                                 y3="-2.127096"
                                 z3="-5.791654"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.851003"
                                 y3="-5.111596"
                                 z3="-4.119197"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.766942"
                                 y3="-7.632514"
                                 z3="-5.015808"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.728713"
                                 y3="-6.681812"
                                 z3="-1.891646"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.089956"
                                 y3="-7.418482"
                                 z3="-4.514283"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.13488"
                                 y3="-8.705348"
                                 z3="-2.727583"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.555629"
                                 y3="-6.148079"
                                 z3="-2.772849"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.643062"
                                 y3="-4.35492"
                                 z3="-4.640865"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.036781"
                                 y3="-3.567004"
                                 z3="-1.910552"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="4.209093"
                                 y3="-10.398627"
                                 z3="-2.576679"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.736405"
                                 y3="-10.943487"
                                 z3="-1.350488"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.075183"
                                 y3="0.061828"
                                 z3="-4.859387"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.828367"
                                 y3="-4.47157"
                                 z3="-1.710568"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="6.90236"
                                 y3="-3.319431"
                                 z3="-0.178163"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.527227"
                                 y3="-4.223087"
                                 z3="-3.275625"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.226474"
                                 y3="-6.229871"
                                 z3="-0.132627"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.922922"
                                 y3="-9.612417"
                                 z3="-1.122619"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.138551"
                                 y3="-8.295824"
                                 z3="0.012916"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.15984"
                                 y3="-7.24033"
                                 z3="-1.204071"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.307004"
                                 y3="-2.357261"
                                 z3="-2.735398"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.965263"
                                 y3="-10.459608"
                                 z3="0.09743"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.692581"
                                 y3="-4.014408"
                                 z3="-3.362303"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.396117"
                                 y3="-0.880496"
                                 z3="-1.34166"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.738196"
                                 y3="-1.141509"
                                 z3="-2.178633"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.412037"
                                 y3="-6.702761"
                                 z3="-2.894611"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.92445"
                                 y3="-1.377875"
                                 z3="-2.680646"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.475489"
                                 y3="-1.415357"
                                 z3="-4.82788"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.613429"
                                 y3="-8.2451"
                                 z3="-1.276004"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.958902"
                                 y3="-9.852203"
                                 z3="-3.399799"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.749815"
                                 y3="-0.917931"
                                 z3="-5.264145"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.652325"
                                 y3="-3.522044"
                                 z3="-6.058911"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.996209"
                                 y3="-3.122187"
                                 z3="-3.087543"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.37036"
                                 y3="-2.38743"
                                 z3="-0.035075"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.833934"
                                 y3="-3.74402"
                                 z3="-6.567184"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.416045"
                                 y3="-6.230035"
                                 z3="0.136629"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.910132"
                                 y3="0.317967"
                                 z3="-2.767039"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.179258"
                                 y3="-6.512765"
                                 z3="-1.548175"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.916309"
                                 y3="-2.579093"
                                 z3="-1.449483"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.255435"
                                 y3="-0.854881"
                                 z3="-3.915251"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.457748"
                                 y3="-3.530643"
                                 z3="-5.122372"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.653287"
                                 y3="-7.062214"
                                 z3="-3.735813"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.991265"
                                 y3="-2.405344"
                                 z3="-1.919074"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.774883"
                                 y3="-7.221083"
                                 z3="-0.049737"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.888114"
                                 y3="-5.638828"
                                 z3="-0.443402"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.616015"
                                 y3="-2.591568"
                                 z3="-0.628801"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.035975"
                                 y3="-3.49495"
                                 z3="-2.52474"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.160421"
                                 y3="-7.636052"
                                 z3="-2.890106"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.561186"
                                 y3="-6.083688"
                                 z3="-5.439926"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a2 a49" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a31" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a45" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O3.H2O2.8H2O.18O/c;;;;;;;1-4-3-5-2;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1H;1H;8*1H2;;;;;;;;;;;;;;;;;;/q;3*+1;2*+2;+3;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH13Mo7O31/c8-1(9,10)29-41-38(40-28)7(26)32-2(11,12,13)30-6(23,24,25,35-39-27)31-4(17,18,34-7)37(7)5(19,20,21,22)36(7)3(14,15,16)33-7/h8-9,11,14,17,19-20,23,27-28H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;40;42;44;20;41;43;27,2,12,45,49;38,21,46;3;7;13;35;28;33;37;36;1;4;5;6;8;9;10;11;14;15;16;17;19;23;24;26;31;39/CRV:;;;;;;;2-1,4.2,5.2;2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nOOOO1OO1OO1OOO1O3OO1O1O3O1MoO1MoOHO3O1HO1OOHHOHOHOOOOO1MoMoMoMoMoH2H2HHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;s20;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s33s39;s2s3s4s37;s5s6s7s8s9;s12s27;s21s38;s38;s36;s2s12;s28;s3;/rC:2.5149,-2.6858,-4.3386;.0754,-3.2688,-3.2866;-.7575,-5.037,-5.6068;-.3542,-2.1271,-5.7917;1.851,-5.1116,-4.1192;2.7669,-7.6325,-5.0158;.7287,-6.6818,-1.8916;.09,-7.4185,-4.5143;2.1349,-8.7053,-2.7276;3.5556,-6.1481,-2.7728;4.6431,-4.3549,-4.6409;2.0368,-3.567,-1.9106;4.2091,-10.3986,-2.5767;1.7364,-10.9435,-1.3505;2.0752,.0618,-4.8594;4.8284,-4.4716,-1.7106;6.9024,-3.3194,-.1782;3.5272,-4.2231,-3.2756;6.2265,-6.2299,-.1326;2.9229,-9.6124,-1.1226;2.1386,-8.2958,.0129;1.1598,-7.2403,-1.2041;4.307,-2.3573,-2.7354;3.9653,-10.4596,.0974;6.6926,-4.0144,-3.3623;6.3961,-.8805,-1.3417;1.7382,-1.1415,-2.1786;6.412,-6.7028,-2.8946;.9244,-1.3779,-2.6806;5.4755,-1.4154,-4.8279;4.6134,-8.2451,-1.276;3.9589,-9.8522,-3.3998;4.7498,-.9179,-5.2641;2.6523,-3.522,-6.0589;6.9962,-3.1222,-3.0875;4.3704,-2.3874,-.0351;1.8339,-3.744,-6.5672;3.416,-6.23,.1366;3.9101,.318,-2.767;5.1793,-6.5128,-1.5482;5.9163,-2.5791,-1.4495;3.2554,-.8549,-3.9153;.4577,-3.5306,-5.1224;1.6533,-7.0622,-3.7358;1.9913,-2.4053,-1.9191;2.7749,-7.2211,-.0497;2.8881,-5.6388,-.4434;3.616,-2.5916,-.6288;1.036,-3.4949,-2.5247;6.1604,-7.6361,-2.8901;-.5612,-6.0837,-5.4399;/R:/0/N:43,44,42,40,41,20,18,3,37,4,7,6,8,33,15,39,28,19,35,36,17,26,13,14,24,11,38,27,2,9,31,5,1,10,21,23,16,12,46,45,49/E:(8,9)(12,13)(15,16)(19,20)(21,22)(24,25)/CRV:7.7,10.1,12.1,13.1,15.1,16.1,18.1,21.1,22.1,24.1,25.1,26.1,36.3,37.3,38.3,39.2,40.2,41.2</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">2</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">2</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.38653132</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17289339</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02906443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17289339</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02906443</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.30075201</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04479433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.497436"
                                 y3="-2.69032"
                                 z3="-4.348004"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.078849"
                                 y3="-3.29991"
                                 z3="-3.305268"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.627804"
                                 y3="-5.129525"
                                 z3="-5.492943"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.418485"
                                 y3="-2.228818"
                                 z3="-5.799677"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.870784"
                                 y3="-5.114322"
                                 z3="-4.11827"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.790976"
                                 y3="-7.610197"
                                 z3="-5.047728"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.743932"
                                 y3="-6.67469"
                                 z3="-1.920563"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.089493"
                                 y3="-7.349226"
                                 z3="-4.585324"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.121716"
                                 y3="-8.699049"
                                 z3="-2.770251"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.550184"
                                 y3="-6.145256"
                                 z3="-2.765634"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.636762"
                                 y3="-4.347908"
                                 z3="-4.639676"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.031661"
                                 y3="-3.558708"
                                 z3="-1.892138"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="4.164235"
                                 y3="-10.416413"
                                 z3="-2.638615"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.659644"
                                 y3="-10.929246"
                                 z3="-1.314837"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.075178"
                                 y3="0.056682"
                                 z3="-4.864092"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.830869"
                                 y3="-4.472252"
                                 z3="-1.707054"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="6.922849"
                                 y3="-3.307831"
                                 z3="-0.185156"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.527265"
                                 y3="-4.219299"
                                 z3="-3.2707"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.192397"
                                 y3="-6.236894"
                                 z3="-0.115071"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.894792"
                                 y3="-9.635962"
                                 z3="-1.149977"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.133063"
                                 y3="-8.297017"
                                 z3="-0.023169"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.18222"
                                 y3="-7.239464"
                                 z3="-1.239818"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.300639"
                                 y3="-2.357964"
                                 z3="-2.731313"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.960101"
                                 y3="-10.470676"
                                 z3="0.058453"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.646024"
                                 y3="-3.96593"
                                 z3="-3.401668"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.413847"
                                 y3="-0.869671"
                                 z3="-1.364061"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.736748"
                                 y3="-1.131196"
                                 z3="-2.182581"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.430158"
                                 y3="-6.731633"
                                 z3="-2.90202"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.915036"
                                 y3="-1.354515"
                                 z3="-2.674054"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.451991"
                                 y3="-1.455732"
                                 z3="-4.81374"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.590869"
                                 y3="-8.223147"
                                 z3="-1.287085"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.906206"
                                 y3="-9.868583"
                                 z3="-3.417344"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.739177"
                                 y3="-0.938341"
                                 z3="-5.248814"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.658073"
                                 y3="-3.525383"
                                 z3="-6.089577"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.980591"
                                 y3="-3.099055"
                                 z3="-3.088445"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.386823"
                                 y3="-2.361247"
                                 z3="-0.029412"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.825629"
                                 y3="-3.762964"
                                 z3="-6.564363"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.370235"
                                 y3="-6.194282"
                                 z3="0.111607"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.911146"
                                 y3="0.329761"
                                 z3="-2.77453"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.158733"
                                 y3="-6.511527"
                                 z3="-1.527694"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.9204"
                                 y3="-2.562859"
                                 z3="-1.442106"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.248578"
                                 y3="-0.852851"
                                 z3="-3.909928"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.467581"
                                 y3="-3.564423"
                                 z3="-5.10787"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.667403"
                                 y3="-7.061514"
                                 z3="-3.762915"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.990375"
                                 y3="-2.401948"
                                 z3="-1.910317"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.759231"
                                 y3="-7.200847"
                                 z3="-0.048339"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.851631"
                                 y3="-5.592237"
                                 z3="-0.466109"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.611573"
                                 y3="-2.566188"
                                 z3="-0.593188"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.05157"
                                 y3="-3.524233"
                                 z3="-2.522605"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.163875"
                                 y3="-7.670036"
                                 z3="-2.900253"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.270533"
                                 y3="-6.039768"
                                 z3="-5.139174"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a2 a49" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a31" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a45" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O3.H2O2.8H2O.18O/c;;;;;;;1-4-3-5-2;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1H;1H;8*1H2;;;;;;;;;;;;;;;;;;/q;3*+1;2*+2;+3;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH13Mo7O31/c8-1(9,10)29-41-38(40-28)7(26)32-2(11,12,13)30-6(23,24,25,35-39-27)31-4(17,18,34-7)37(7)5(19,20,21,22)36(7)3(14,15,16)33-7/h8-9,11,14,17,19-20,23,27-28H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;40;42;44;20;41;43;27,2,12,45,49;38,21,46;3;7;13;35;28;33;37;36;1;4;5;6;8;9;10;11;14;15;16;17;19;23;24;26;31;39/CRV:;;;;;;;2-1,4.2,5.2;2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nOOOO1OO1OO1OOO1O3OO1O1O3O1MoO1MoOHO3O1HO1OOHHOHOHOOOOO1MoMoMoMoMoH2H2HHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;s20;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s33s39;s2s3s4s37;s5s6s7s8s9;s12s27;s21s38;s38;s36;s2s12;s28;s3;/rC:2.4974,-2.6903,-4.348;.0788,-3.2999,-3.3053;-.6278,-5.1295,-5.4929;-.4185,-2.2288,-5.7997;1.8708,-5.1143,-4.1183;2.791,-7.6102,-5.0477;.7439,-6.6747,-1.9206;.0895,-7.3492,-4.5853;2.1217,-8.699,-2.7703;3.5502,-6.1453,-2.7656;4.6368,-4.3479,-4.6397;2.0317,-3.5587,-1.8921;4.1642,-10.4164,-2.6386;1.6596,-10.9292,-1.3148;2.0752,.0567,-4.8641;4.8309,-4.4723,-1.7071;6.9228,-3.3078,-.1852;3.5273,-4.2193,-3.2707;6.1924,-6.2369,-.1151;2.8948,-9.636,-1.15;2.1331,-8.297,-.0232;1.1822,-7.2395,-1.2398;4.3006,-2.358,-2.7313;3.9601,-10.4707,.0585;6.646,-3.9659,-3.4017;6.4138,-.8697,-1.3641;1.7367,-1.1312,-2.1826;6.4302,-6.7316,-2.902;.915,-1.3545,-2.6741;5.452,-1.4557,-4.8137;4.5909,-8.2231,-1.2871;3.9062,-9.8686,-3.4173;4.7392,-.9383,-5.2488;2.6581,-3.5254,-6.0896;6.9806,-3.0991,-3.0884;4.3868,-2.3612,-.0294;1.8256,-3.763,-6.5644;3.3702,-6.1943,.1116;3.9111,.3298,-2.7745;5.1587,-6.5115,-1.5277;5.9204,-2.5629,-1.4421;3.2486,-.8529,-3.9099;.4676,-3.5644,-5.1079;1.6674,-7.0615,-3.7629;1.9904,-2.4019,-1.9103;2.7592,-7.2008,-.0483;2.8516,-5.5922,-.4661;3.6116,-2.5662,-.5932;1.0516,-3.5242,-2.5226;6.1639,-7.67,-2.9003;-.2705,-6.0398,-5.1392;/R:/0/N:43,44,42,40,41,20,18,3,37,4,7,6,8,33,15,39,28,19,35,36,17,26,13,14,24,11,38,27,2,9,31,5,1,10,21,23,16,12,46,45,49/E:(8,9)(12,13)(15,16)(19,20)(21,22)(24,25)/CRV:7.7,10.1,12.1,13.1,15.1,16.1,18.1,21.1,22.1,24.1,25.1,26.1,36.3,37.3,38.3,39.2,40.2,41.2</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">3</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">3</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.42192710</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11198299</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02061364</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11198299</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02061364</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.26426994</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05464968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.479211"
                                 y3="-2.721813"
                                 z3="-4.356845"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.078676"
                                 y3="-3.344621"
                                 z3="-3.331071"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.649483"
                                 y3="-4.91455"
                                 z3="-5.616423"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.401181"
                                 y3="-2.219415"
                                 z3="-5.76455"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.879091"
                                 y3="-5.150258"
                                 z3="-4.119297"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.902881"
                                 y3="-7.610991"
                                 z3="-5.06332"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.782888"
                                 y3="-6.692367"
                                 z3="-1.971799"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.153866"
                                 y3="-7.376961"
                                 z3="-4.658461"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.169888"
                                 y3="-8.713313"
                                 z3="-2.799697"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.553695"
                                 y3="-6.156123"
                                 z3="-2.72136"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.618326"
                                 y3="-4.359637"
                                 z3="-4.626442"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.005474"
                                 y3="-3.569195"
                                 z3="-1.843603"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="4.125365"
                                 y3="-10.460035"
                                 z3="-2.71367"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.61928"
                                 y3="-10.945603"
                                 z3="-1.1369"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.074846"
                                 y3="0.023015"
                                 z3="-4.868007"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.836149"
                                 y3="-4.484843"
                                 z3="-1.696846"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="6.978719"
                                 y3="-3.299262"
                                 z3="-0.219611"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.520107"
                                 y3="-4.235742"
                                 z3="-3.251628"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.146161"
                                 y3="-6.224739"
                                 z3="-0.050223"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.911389"
                                 y3="-9.709592"
                                 z3="-1.139099"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.187158"
                                 y3="-8.323361"
                                 z3="-0.047999"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.218675"
                                 y3="-7.25897"
                                 z3="-1.286146"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.280278"
                                 y3="-2.382159"
                                 z3="-2.724352"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="4.053316"
                                 y3="-10.462992"
                                 z3="0.042935"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.482365"
                                 y3="-3.843541"
                                 z3="-3.522475"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.468256"
                                 y3="-0.865874"
                                 z3="-1.437012"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.726338"
                                 y3="-1.140137"
                                 z3="-2.18847"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.481911"
                                 y3="-6.789665"
                                 z3="-2.880894"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.892206"
                                 y3="-1.336862"
                                 z3="-2.664127"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.391848"
                                 y3="-1.579025"
                                 z3="-4.770311"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.599577"
                                 y3="-8.18476"
                                 z3="-1.264659"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.832081"
                                 y3="-9.90235"
                                 z3="-3.420916"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.719309"
                                 y3="-1.002328"
                                 z3="-5.196574"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.695452"
                                 y3="-3.59584"
                                 z3="-6.120826"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.923711"
                                 y3="-3.073583"
                                 z3="-3.108293"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.433216"
                                 y3="-2.302725"
                                 z3="-0.023216"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.825659"
                                 y3="-3.735231"
                                 z3="-6.560036"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.30071"
                                 y3="-6.131529"
                                 z3="0.080699"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.904305"
                                 y3="0.337464"
                                 z3="-2.774667"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.137025"
                                 y3="-6.506729"
                                 z3="-1.457662"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.930965"
                                 y3="-2.541795"
                                 z3="-1.432967"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.232164"
                                 y3="-0.867618"
                                 z3="-3.884001"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.49384"
                                 y3="-3.550153"
                                 z3="-5.083721"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.743969"
                                 y3="-7.11522"
                                 z3="-3.783855"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.9774"
                                 y3="-2.428136"
                                 z3="-1.886451"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.766879"
                                 y3="-7.168849"
                                 z3="-0.004242"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.786855"
                                 y3="-5.527504"
                                 z3="-0.49978"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.616371"
                                 y3="-2.512412"
                                 z3="-0.518972"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.073743"
                                 y3="-3.60437"
                                 z3="-2.497134"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.204362"
                                 y3="-7.736812"
                                 z3="-2.897038"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.373572"
                                 y3="-5.775498"
                                 z3="-5.161395"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a2 a49" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a31" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.2H2O2.9H2O.18O/c;;;;;;;2*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;2*1H;9*1H2;;;;;;;;;;;;;;;;;;/q;2*+1;3*+2;+3;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH13Mo7O31/c8-1(9,10)30-40-34-7(27)32-6(24,25,26)31-5(21,22,23,33-39-28)29-2(11,12,37(6)7)36(7)4(17,18,19,20)38(7)3(13,14,15,16)35(1)7/h8-9,11,13-14,17-18,21,24,28,34H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;40;44;20;41;42;43;12,2,49;38,21,46;3;7;13;35;27;28;33;37;36;1;4;5;6;8;9;10;11;14;15;16;17;19;23;24;26;31;39/CRV:;;;;;;;2*2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3OOO1OO1OO1OO3O1O3OO1O1O3O1MoO1MoOHO3O1HO1OOHHOHOHOOOOO1MoMoMoMoMoHH2HHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;s20;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s21s38;s38;s36;s2s12;s28;s3;/rC:2.4792,-2.7218,-4.3568;.0787,-3.3446,-3.3311;-.6495,-4.9146,-5.6164;-.4012,-2.2194,-5.7645;1.8791,-5.1503,-4.1193;2.9029,-7.611,-5.0633;.7829,-6.6924,-1.9718;.1539,-7.377,-4.6585;2.1699,-8.7133,-2.7997;3.5537,-6.1561,-2.7214;4.6183,-4.3596,-4.6264;2.0055,-3.5692,-1.8436;4.1254,-10.46,-2.7137;1.6193,-10.9456,-1.1369;2.0748,.023,-4.868;4.8361,-4.4848,-1.6968;6.9787,-3.2993,-.2196;3.5201,-4.2357,-3.2516;6.1462,-6.2247,-.0502;2.9114,-9.7096,-1.1391;2.1872,-8.3234,-.048;1.2187,-7.259,-1.2861;4.2803,-2.3822,-2.7244;4.0533,-10.463,.0429;6.4824,-3.8435,-3.5225;6.4683,-.8659,-1.437;1.7263,-1.1401,-2.1885;6.4819,-6.7897,-2.8809;.8922,-1.3369,-2.6641;5.3918,-1.579,-4.7703;4.5996,-8.1848,-1.2647;3.8321,-9.9024,-3.4209;4.7193,-1.0023,-5.1966;2.6955,-3.5958,-6.1208;6.9237,-3.0736,-3.1083;4.4332,-2.3027,-.0232;1.8257,-3.7352,-6.56;3.3007,-6.1315,.0807;3.9043,.3375,-2.7747;5.137,-6.5067,-1.4577;5.931,-2.5418,-1.433;3.2322,-.8676,-3.884;.4938,-3.5502,-5.0837;1.744,-7.1152,-3.7839;1.9774,-2.4281,-1.8865;2.7669,-7.1688,-.0042;2.7869,-5.5275,-.4998;3.6164,-2.5124,-.519;1.0737,-3.6044,-2.4971;6.2044,-7.7368,-2.897;-.3736,-5.7755,-5.1614;/R:/0/N:43,40,42,41,20,44,18,3,37,4,28,19,27,33,15,39,35,36,17,26,13,14,24,7,6,8,11,38,31,2,9,5,21,12,1,16,10,23,46,49/E:(8,9)(13,14)(15,16)(17,18)(19,20)(22,23)(25,26)/CRV:7.7,10.1,12.1,15.1,16.1,19.1,20.1,22.1,23.1,25.1,26.1,27.1,34.3,35.3,36.3,37.3,38.3,39.2,40.2</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">4</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">4</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.44976957</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06429345</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01617878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06429345</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01617878</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.18753442</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03823292</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.463417"
                                 y3="-2.712564"
                                 z3="-4.332223"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.083946"
                                 y3="-3.391301"
                                 z3="-3.305726"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.546175"
                                 y3="-5.071687"
                                 z3="-5.620928"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.424558"
                                 y3="-2.262488"
                                 z3="-5.77253"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.904012"
                                 y3="-5.140004"
                                 z3="-4.114262"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.910496"
                                 y3="-7.599417"
                                 z3="-5.066106"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.765657"
                                 y3="-6.64488"
                                 z3="-1.987631"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.166387"
                                 y3="-7.294734"
                                 z3="-4.662944"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.133967"
                                 y3="-8.705894"
                                 z3="-2.802065"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.555836"
                                 y3="-6.146869"
                                 z3="-2.719864"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.628782"
                                 y3="-4.344256"
                                 z3="-4.62546"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.014692"
                                 y3="-3.576017"
                                 z3="-1.817446"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="4.057638"
                                 y3="-10.47302"
                                 z3="-2.702468"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.55547"
                                 y3="-10.91564"
                                 z3="-1.126406"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.04883"
                                 y3="0.03003"
                                 z3="-4.831823"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.859216"
                                 y3="-4.476231"
                                 z3="-1.704297"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.037106"
                                 y3="-3.294355"
                                 z3="-0.266666"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.530974"
                                 y3="-4.225407"
                                 z3="-3.246909"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.151536"
                                 y3="-6.223958"
                                 z3="-0.028394"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.865895"
                                 y3="-9.702525"
                                 z3="-1.130145"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.166774"
                                 y3="-8.305519"
                                 z3="-0.049541"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.161836"
                                 y3="-7.232224"
                                 z3="-1.299484"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.282651"
                                 y3="-2.374058"
                                 z3="-2.712775"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.99828"
                                 y3="-10.495015"
                                 z3="0.027187"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.393028"
                                 y3="-3.777078"
                                 z3="-3.596293"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.511394"
                                 y3="-0.85397"
                                 z3="-1.471874"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.720967"
                                 y3="-1.147447"
                                 z3="-2.15571"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.488364"
                                 y3="-6.794269"
                                 z3="-2.869419"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.884449"
                                 y3="-1.345086"
                                 z3="-2.628451"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.361473"
                                 y3="-1.581396"
                                 z3="-4.758514"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.588439"
                                 y3="-8.191678"
                                 z3="-1.262017"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.767828"
                                 y3="-9.875817"
                                 z3="-3.433686"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.696206"
                                 y3="-0.985396"
                                 z3="-5.169448"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.701383"
                                 y3="-3.575142"
                                 z3="-6.144166"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.897363"
                                 y3="-3.060483"
                                 z3="-3.153973"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.487962"
                                 y3="-2.279521"
                                 z3="-0.023603"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.831959"
                                 y3="-3.740374"
                                 z3="-6.573745"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.310886"
                                 y3="-6.138278"
                                 z3="0.085041"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.883834"
                                 y3="0.352511"
                                 z3="-2.740004"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.141495"
                                 y3="-6.501642"
                                 z3="-1.450104"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.960687"
                                 y3="-2.527777"
                                 z3="-1.446023"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.213731"
                                 y3="-0.855393"
                                 z3="-3.847629"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.506074"
                                 y3="-3.570502"
                                 z3="-5.077393"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.747464"
                                 y3="-7.10015"
                                 z3="-3.787676"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.979479"
                                 y3="-2.443248"
                                 z3="-1.861522"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.766609"
                                 y3="-7.155421"
                                 z3="-0.00346"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.79146"
                                 y3="-5.534732"
                                 z3="-0.490954"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.664499"
                                 y3="-2.488366"
                                 z3="-0.509282"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.092531"
                                 y3="-3.630447"
                                 z3="-2.453656"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.215532"
                                 y3="-7.736135"
                                 z3="-2.912003"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.186038"
                                 y3="-5.959341"
                                 z3="-5.288936"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a31" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H2O2.10H2O.19O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1H;10*1H2;;;;;;;;;;;;;;;;;;;/q;2*+1;4*+2;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH13Mo7O31/c8-1(9,10,11)35-3(14,15,16,17)38-4(18,19,20,21)36-2(12,13)31-5(22,23,24,34-39-30)32-6(25,26,27)33-7(35,36,38,28,29)37(2)6/h8-9,12,14-15,18-19,22,25,30H,28H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;40;44;20;41;42;43;38,21,46;12;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;23;24;26;31;39/CRV:;;;;;;;2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1OO3O1O3OO1O1O3O1MoO1MoOHO3O1HO1OOHHOHOHOOOOO1MoMoMoMoMoHH2HHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;s20;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s21s38;s38;s36;s12;s28;s3;/rC:2.4634,-2.7126,-4.3322;.0839,-3.3913,-3.3057;-.5462,-5.0717,-5.6209;-.4246,-2.2625,-5.7725;1.904,-5.14,-4.1143;2.9105,-7.5994,-5.0661;.7657,-6.6449,-1.9876;.1664,-7.2947,-4.6629;2.134,-8.7059,-2.8021;3.5558,-6.1469,-2.7199;4.6288,-4.3443,-4.6255;2.0147,-3.576,-1.8174;4.0576,-10.473,-2.7025;1.5555,-10.9156,-1.1264;2.0488,.03,-4.8318;4.8592,-4.4762,-1.7043;7.0371,-3.2944,-.2667;3.531,-4.2254,-3.2469;6.1515,-6.224,-.0284;2.8659,-9.7025,-1.1301;2.1668,-8.3055,-.0495;1.1618,-7.2322,-1.2995;4.2827,-2.3741,-2.7128;3.9983,-10.495,.0272;6.393,-3.7771,-3.5963;6.5114,-.854,-1.4719;1.721,-1.1474,-2.1557;6.4884,-6.7943,-2.8694;.8844,-1.3451,-2.6285;5.3615,-1.5814,-4.7585;4.5884,-8.1917,-1.262;3.7678,-9.8758,-3.4337;4.6962,-.9854,-5.1694;2.7014,-3.5751,-6.1442;6.8974,-3.0605,-3.154;4.488,-2.2795,-.0236;1.832,-3.7404,-6.5737;3.3109,-6.1383,.085;3.8838,.3525,-2.74;5.1415,-6.5016,-1.4501;5.9607,-2.5278,-1.446;3.2137,-.8554,-3.8476;.5061,-3.5705,-5.0774;1.7475,-7.1002,-3.7877;1.9795,-2.4432,-1.8615;2.7666,-7.1554,-.0035;2.7915,-5.5347,-.491;3.6645,-2.4884,-.5093;1.0925,-3.6304,-2.4537;6.2155,-7.7361,-2.912;-.186,-5.9593,-5.2889;/R:/0/N:43,40,42,41,20,44,18,3,37,2,4,28,19,27,33,15,39,35,36,17,26,13,14,24,7,6,8,12,11,38,31,9,5,21,1,16,10,23,46/E:(8,9)(10,11)(14,15)(16,17)(18,19)(20,21)(23,24)(26,27)/CRV:7.7,10.1,11.1,13.1,16.1,17.1,20.1,21.1,23.1,24.1,26.1,27.1,28.3,29.1,35.3,36.3,37.3,38.3,39.2</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">5</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">5</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.46144040</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03270877</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01181620</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03270877</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01181620</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.16093254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03458723</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.462351"
                                 y3="-2.722625"
                                 z3="-4.333339"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.086512"
                                 y3="-3.379654"
                                 z3="-3.309618"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.581869"
                                 y3="-4.972457"
                                 z3="-5.622847"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.395438"
                                 y3="-2.226561"
                                 z3="-5.747595"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.917412"
                                 y3="-5.152984"
                                 z3="-4.128322"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.995392"
                                 y3="-7.588655"
                                 z3="-5.0892"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.795522"
                                 y3="-6.671085"
                                 z3="-2.030871"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.23512"
                                 y3="-7.355495"
                                 z3="-4.724706"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.165539"
                                 y3="-8.721746"
                                 z3="-2.832435"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.560779"
                                 y3="-6.151081"
                                 z3="-2.71034"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.642979"
                                 y3="-4.347859"
                                 z3="-4.6207"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.004418"
                                 y3="-3.593151"
                                 z3="-1.803764"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="4.054162"
                                 y3="-10.488762"
                                 z3="-2.697724"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.542013"
                                 y3="-10.926928"
                                 z3="-1.088336"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.049914"
                                 y3="0.015415"
                                 z3="-4.832686"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.862443"
                                 y3="-4.479764"
                                 z3="-1.706774"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.072914"
                                 y3="-3.295445"
                                 z3="-0.302349"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.534598"
                                 y3="-4.233183"
                                 z3="-3.248833"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.108668"
                                 y3="-6.211632"
                                 z3="0.020314"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.859867"
                                 y3="-9.72603"
                                 z3="-1.124376"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.149602"
                                 y3="-8.310471"
                                 z3="-0.087213"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.208561"
                                 y3="-7.243955"
                                 z3="-1.341006"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.272636"
                                 y3="-2.384518"
                                 z3="-2.712215"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="4.004289"
                                 y3="-10.480439"
                                 z3="0.040813"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.292726"
                                 y3="-3.694675"
                                 z3="-3.666014"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.543419"
                                 y3="-0.854737"
                                 z3="-1.509209"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.716954"
                                 y3="-1.163044"
                                 z3="-2.158181"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.510663"
                                 y3="-6.809459"
                                 z3="-2.822782"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.880654"
                                 y3="-1.358075"
                                 z3="-2.630816"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.341457"
                                 y3="-1.619825"
                                 z3="-4.734327"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.58904"
                                 y3="-8.180111"
                                 z3="-1.240295"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.760637"
                                 y3="-9.897758"
                                 z3="-3.402657"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.69374"
                                 y3="-1.000973"
                                 z3="-5.140366"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.72175"
                                 y3="-3.627508"
                                 z3="-6.158274"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.859898"
                                 y3="-3.053962"
                                 z3="-3.181784"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.518288"
                                 y3="-2.254729"
                                 z3="-0.032216"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.840328"
                                 y3="-3.746022"
                                 z3="-6.574841"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.261576"
                                 y3="-6.122716"
                                 z3="0.054109"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.870044"
                                 y3="0.358509"
                                 z3="-2.728516"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.127496"
                                 y3="-6.49652"
                                 z3="-1.414862"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.972241"
                                 y3="-2.519595"
                                 z3="-1.451272"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.206352"
                                 y3="-0.858284"
                                 z3="-3.829852"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.526426"
                                 y3="-3.547038"
                                 z3="-5.065035"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.801826"
                                 y3="-7.13088"
                                 z3="-3.821809"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.975686"
                                 y3="-2.470879"
                                 z3="-1.853987"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.737828"
                                 y3="-7.138265"
                                 z3="-0.020867"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.74621"
                                 y3="-5.527002"
                                 z3="-0.533905"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.683552"
                                 y3="-2.46141"
                                 z3="-0.498529"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.106045"
                                 y3="-3.660536"
                                 z3="-2.436927"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.245472"
                                 y3="-7.753369"
                                 z3="-2.893422"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.34697"
                                 y3="-5.836681"
                                 z3="-5.14265"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H2O2.10H2O.19O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1H;10*1H2;;;;;;;;;;;;;;;;;;;/q;2*+1;4*+2;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH13Mo7O31/c8-1(9,10,11)35-4(18,19,20,21)38-5(22,23,24,25)36-3(15,16,17)37-6(26,27,28,32-2(12,13,14)33-39-31)34-7(35,36,37,38,29)30/h8-9,12,15,18-19,22-23,26,31H,29H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;40;44;20;41;42;43;38,21,46;12;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;23;24;26;31;39/CRV:;;;;;;;2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1OO3O1O3OO1O1O3O1MoO1MoOHO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHH2HHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s21s38;s38;s36;s12;s28;s3;/rC:2.4624,-2.7226,-4.3333;.0865,-3.3797,-3.3096;-.5819,-4.9725,-5.6228;-.3954,-2.2266,-5.7476;1.9174,-5.153,-4.1283;2.9954,-7.5887,-5.0892;.7955,-6.6711,-2.0309;.2351,-7.3555,-4.7247;2.1655,-8.7217,-2.8324;3.5608,-6.1511,-2.7103;4.643,-4.3479,-4.6207;2.0044,-3.5932,-1.8038;4.0542,-10.4888,-2.6977;1.542,-10.9269,-1.0883;2.0499,.0154,-4.8327;4.8624,-4.4798,-1.7068;7.0729,-3.2954,-.3023;3.5346,-4.2332,-3.2488;6.1087,-6.2116,.0203;2.8599,-9.726,-1.1244;2.1496,-8.3105,-.0872;1.2086,-7.244,-1.341;4.2726,-2.3845,-2.7122;4.0043,-10.4804,.0408;6.2927,-3.6947,-3.666;6.5434,-.8547,-1.5092;1.717,-1.163,-2.1582;6.5107,-6.8095,-2.8228;.8807,-1.3581,-2.6308;5.3415,-1.6198,-4.7343;4.589,-8.1801,-1.2403;3.7606,-9.8978,-3.4027;4.6937,-1.001,-5.1404;2.7218,-3.6275,-6.1583;6.8599,-3.054,-3.1818;4.5183,-2.2547,-.0322;1.8403,-3.746,-6.5748;3.2616,-6.1227,.0541;3.87,.3585,-2.7285;5.1275,-6.4965,-1.4149;5.9722,-2.5196,-1.4513;3.2064,-.8583,-3.8299;.5264,-3.547,-5.065;1.8018,-7.1309,-3.8218;1.9757,-2.4709,-1.854;2.7378,-7.1383,-.0209;2.7462,-5.527,-.5339;3.6836,-2.4614,-.4985;1.106,-3.6605,-2.4369;6.2455,-7.7534,-2.8934;-.347,-5.8367,-5.1426;/R:/0/N:43,20,40,42,41,44,18,3,37,2,4,13,14,24,28,19,31,27,33,15,39,35,36,17,26,7,6,8,12,11,38,9,21,5,1,16,10,23,46/E:(8,9)(10,11)(13,14)(16,17)(18,19)(20,21)(22,23)(24,25)(27,28)/CRV:7.7,10.1,11.1,13.1,14.1,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.1,29.3,30.1,35.3,36.3,37.3,38.3,39.2</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">6</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">6</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.46865438</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03797548</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01111221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03797548</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01111221</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15698678</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04196156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.438266"
                                 y3="-2.729047"
                                 z3="-4.310178"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.070616"
                                 y3="-3.436836"
                                 z3="-3.296983"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.506167"
                                 y3="-4.964891"
                                 z3="-5.686927"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.381431"
                                 y3="-2.216468"
                                 z3="-5.715053"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.941073"
                                 y3="-5.159899"
                                 z3="-4.134937"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.060497"
                                 y3="-7.580518"
                                 z3="-5.098821"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.806702"
                                 y3="-6.642793"
                                 z3="-2.067046"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.281266"
                                 y3="-7.370514"
                                 z3="-4.751192"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.157143"
                                 y3="-8.732825"
                                 z3="-2.850739"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.559484"
                                 y3="-6.151829"
                                 z3="-2.698534"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.658293"
                                 y3="-4.344203"
                                 z3="-4.619243"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="1.992171"
                                 y3="-3.628977"
                                 z3="-1.765279"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.984815"
                                 y3="-10.51614"
                                 z3="-2.677783"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.479754"
                                 y3="-10.911242"
                                 z3="-1.022416"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.018512"
                                 y3="0.003277"
                                 z3="-4.79698"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.880837"
                                 y3="-4.481215"
                                 z3="-1.723514"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.163282"
                                 y3="-3.298065"
                                 z3="-0.406174"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.53891"
                                 y3="-4.237738"
                                 z3="-3.250621"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.071223"
                                 y3="-6.196673"
                                 z3="0.070614"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.82022"
                                 y3="-9.741515"
                                 z3="-1.097507"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.130652"
                                 y3="-8.299891"
                                 z3="-0.106735"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.203893"
                                 y3="-7.219913"
                                 z3="-1.373307"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.254749"
                                 y3="-2.392637"
                                 z3="-2.707306"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.975243"
                                 y3="-10.491393"
                                 z3="0.050413"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.135739"
                                 y3="-3.56699"
                                 z3="-3.781714"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.61092"
                                 y3="-0.851539"
                                 z3="-1.59052"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.702831"
                                 y3="-1.193081"
                                 z3="-2.127935"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.52958"
                                 y3="-6.827583"
                                 z3="-2.775775"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.865441"
                                 y3="-1.391416"
                                 z3="-2.597045"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.290305"
                                 y3="-1.643248"
                                 z3="-4.698069"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.585006"
                                 y3="-8.1723"
                                 z3="-1.218533"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.685346"
                                 y3="-9.917321"
                                 z3="-3.364406"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.658737"
                                 y3="-0.997118"
                                 z3="-5.087224"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.760265"
                                 y3="-3.625053"
                                 z3="-6.152543"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.793479"
                                 y3="-3.046794"
                                 z3="-3.26055"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.605835"
                                 y3="-2.215845"
                                 z3="-0.052256"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.874517"
                                 y3="-3.702305"
                                 z3="-6.564809"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.236567"
                                 y3="-6.106926"
                                 z3="0.033655"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.826888"
                                 y3="0.374149"
                                 z3="-2.683153"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.115923"
                                 y3="-6.489176"
                                 z3="-1.380781"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.009905"
                                 y3="-2.503855"
                                 z3="-1.484901"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.171799"
                                 y3="-0.85391"
                                 z3="-3.776317"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.553433"
                                 y3="-3.534916"
                                 z3="-5.040264"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.842114"
                                 y3="-7.152137"
                                 z3="-3.842451"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.966859"
                                 y3="-2.524866"
                                 z3="-1.820422"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.725008"
                                 y3="-7.103335"
                                 z3="-0.025992"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.713846"
                                 y3="-5.520781"
                                 z3="-0.558979"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.752857"
                                 y3="-2.418361"
                                 z3="-0.485738"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.115457"
                                 y3="-3.726934"
                                 z3="-2.37088"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.281852"
                                 y3="-7.770882"
                                 z3="-2.900233"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.21879"
                                 y3="-5.850143"
                                 z3="-5.279328"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H2O2.10H2O.19O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1H;10*1H2;;;;;;;;;;;;;;;;;;;/q;2*+1;4*+2;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH13Mo7O31/c8-1(9,10,11)35-4(18,19,20,21)38-5(22,23,24,25)36-3(15,16,17)37-6(26,27,28,32-2(12,13,14)33-39-31)34-7(35,36,37,38,29)30/h8-9,12,15,18-19,22-23,26,31H,29H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;40;44;20;41;42;43;38,21,46;12;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;23;24;26;31;39/CRV:;;;;;;;2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1OO3O1O3OO1O1O3O1MoO1MoOHO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHH2HHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s21s38;s38;s36;s12;s28;s3;/rC:2.4383,-2.729,-4.3102;.0706,-3.4368,-3.297;-.5062,-4.9649,-5.6869;-.3814,-2.2165,-5.7151;1.9411,-5.1599,-4.1349;3.0605,-7.5805,-5.0988;.8067,-6.6428,-2.067;.2813,-7.3705,-4.7512;2.1571,-8.7328,-2.8507;3.5595,-6.1518,-2.6985;4.6583,-4.3442,-4.6192;1.9922,-3.629,-1.7653;3.9848,-10.5161,-2.6778;1.4798,-10.9112,-1.0224;2.0185,.0033,-4.797;4.8808,-4.4812,-1.7235;7.1633,-3.2981,-.4062;3.5389,-4.2377,-3.2506;6.0712,-6.1967,.0706;2.8202,-9.7415,-1.0975;2.1307,-8.2999,-.1067;1.2039,-7.2199,-1.3733;4.2547,-2.3926,-2.7073;3.9752,-10.4914,.0504;6.1357,-3.567,-3.7817;6.6109,-.8515,-1.5905;1.7028,-1.1931,-2.1279;6.5296,-6.8276,-2.7758;.8654,-1.3914,-2.597;5.2903,-1.6432,-4.6981;4.585,-8.1723,-1.2185;3.6853,-9.9173,-3.3644;4.6587,-.9971,-5.0872;2.7603,-3.6251,-6.1525;6.7935,-3.0468,-3.2605;4.6058,-2.2158,-.0523;1.8745,-3.7023,-6.5648;3.2366,-6.1069,.0337;3.8269,.3741,-2.6832;5.1159,-6.4892,-1.3808;6.0099,-2.5039,-1.4849;3.1718,-.8539,-3.7763;.5534,-3.5349,-5.0403;1.8421,-7.1521,-3.8425;1.9669,-2.5249,-1.8204;2.725,-7.1033,-.026;2.7138,-5.5208,-.559;3.7529,-2.4184,-.4857;1.1155,-3.7269,-2.3709;6.2819,-7.7709,-2.9002;-.2188,-5.8501,-5.2793;/R:/0/N:43,20,40,42,41,44,18,3,37,2,4,13,14,24,28,19,31,27,33,15,39,35,36,17,26,7,6,8,12,11,38,9,21,5,1,16,10,23,46/E:(8,9)(10,11)(13,14)(16,17)(18,19)(20,21)(22,23)(24,25)(27,28)/CRV:7.7,10.1,11.1,13.1,14.1,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.1,29.3,30.1,35.3,36.3,37.3,38.3,39.2</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">7</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">7</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.48017012</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03793590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01060044</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03793590</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01060044</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.27500849</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09365734</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.373176"
                                 y3="-2.750902"
                                 z3="-4.245105"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.054648"
                                 y3="-3.524395"
                                 z3="-3.263464"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.357733"
                                 y3="-5.038512"
                                 z3="-5.710756"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.351196"
                                 y3="-2.213517"
                                 z3="-5.656644"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.027497"
                                 y3="-5.160332"
                                 z3="-4.161463"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.261381"
                                 y3="-7.51447"
                                 z3="-5.117383"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.813781"
                                 y3="-6.561606"
                                 z3="-2.198222"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.461885"
                                 y3="-7.363585"
                                 z3="-4.909294"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.129355"
                                 y3="-8.759869"
                                 z3="-2.931713"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.567591"
                                 y3="-6.143139"
                                 z3="-2.686452"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.723352"
                                 y3="-4.31888"
                                 z3="-4.623774"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="1.9835"
                                 y3="-3.73826"
                                 z3="-1.662665"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.816199"
                                 y3="-10.590522"
                                 z3="-2.584513"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.289943"
                                 y3="-10.849487"
                                 z3="-0.953877"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.939919"
                                 y3="-0.021461"
                                 z3="-4.709195"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.937931"
                                 y3="-4.473811"
                                 z3="-1.773753"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.373796"
                                 y3="-3.278536"
                                 z3="-0.681182"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.568397"
                                 y3="-4.241807"
                                 z3="-3.267974"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="5.970292"
                                 y3="-6.143202"
                                 z3="0.205002"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.686805"
                                 y3="-9.755451"
                                 z3="-1.04543"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.046728"
                                 y3="-8.255403"
                                 z3="-0.187018"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.129137"
                                 y3="-7.176937"
                                 z3="-1.502102"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.213377"
                                 y3="-2.397941"
                                 z3="-2.693131"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.814478"
                                 y3="-10.529145"
                                 z3="0.090997"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="5.908859"
                                 y3="-3.387811"
                                 z3="-3.950478"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.769215"
                                 y3="-0.820138"
                                 z3="-1.78202"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.675162"
                                 y3="-1.279856"
                                 z3="-2.040811"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.580978"
                                 y3="-6.840363"
                                 z3="-2.628882"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.83917"
                                 y3="-1.511995"
                                 z3="-2.498967"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.187632"
                                 y3="-1.614812"
                                 z3="-4.616889"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.566739"
                                 y3="-8.157717"
                                 z3="-1.171695"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.533877"
                                 y3="-9.960389"
                                 z3="-3.290351"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.556594"
                                 y3="-0.946554"
                                 z3="-4.964452"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.816486"
                                 y3="-3.6751"
                                 z3="-6.228467"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.681787"
                                 y3="-3.050759"
                                 z3="-3.411723"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.817361"
                                 y3="-2.117345"
                                 z3="-0.128121"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.913245"
                                 y3="-3.688045"
                                 z3="-6.59711"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.192151"
                                 y3="-6.07291"
                                 z3="-0.019922"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.691368"
                                 y3="0.415944"
                                 z3="-2.560585"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.095369"
                                 y3="-6.460253"
                                 z3="-1.302556"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.109392"
                                 y3="-2.44491"
                                 z3="-1.578256"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.071223"
                                 y3="-0.844374"
                                 z3="-3.634593"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.622875"
                                 y3="-3.519757"
                                 z3="-4.984082"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.956458"
                                 y3="-7.19047"
                                 z3="-3.916659"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.967529"
                                 y3="-2.683037"
                                 z3="-1.722618"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.692102"
                                 y3="-7.002874"
                                 z3="-0.075916"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.651068"
                                 y3="-5.509753"
                                 z3="-0.623666"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.933737"
                                 y3="-2.316294"
                                 z3="-0.498446"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.147578"
                                 y3="-3.876484"
                                 z3="-2.177912"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.41156"
                                 y3="-7.766909"
                                 z3="-2.914002"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.07203"
                                 y3="-5.950476"
                                 z3="-5.335116"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-7(30,32-4(20,21,22)36(6)7)34(2(12,13,14)15)5(23,24,25,26)35(7)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.3732,-2.7509,-4.2451;.0546,-3.5244,-3.2635;-.3577,-5.0385,-5.7108;-.3512,-2.2135,-5.6566;2.0275,-5.1603,-4.1615;3.2614,-7.5145,-5.1174;.8138,-6.5616,-2.1982;.4619,-7.3636,-4.9093;2.1294,-8.7599,-2.9317;3.5676,-6.1431,-2.6865;4.7234,-4.3189,-4.6238;1.9835,-3.7383,-1.6627;3.8162,-10.5905,-2.5845;1.2899,-10.8495,-.9539;1.9399,-.0215,-4.7092;4.9379,-4.4738,-1.7738;7.3738,-3.2785,-.6812;3.5684,-4.2418,-3.268;5.9703,-6.1432,.205;2.6868,-9.7555,-1.0454;2.0467,-8.2554,-.187;1.1291,-7.1769,-1.5021;4.2134,-2.3979,-2.6931;3.8145,-10.5291,.091;5.9089,-3.3878,-3.9505;6.7692,-.8201,-1.782;1.6752,-1.2799,-2.0408;6.581,-6.8404,-2.6289;.8392,-1.512,-2.499;5.1876,-1.6148,-4.6169;4.5667,-8.1577,-1.1717;3.5339,-9.9604,-3.2904;4.5566,-.9466,-4.9645;2.8165,-3.6751,-6.2285;6.6818,-3.0508,-3.4117;4.8174,-2.1173,-.1281;1.9132,-3.688,-6.5971;3.1922,-6.0729,-.0199;3.6914,.4159,-2.5606;5.0954,-6.4603,-1.3026;6.1094,-2.4449,-1.5783;3.0712,-.8444,-3.6346;.6229,-3.5198,-4.9841;1.9565,-7.1905,-3.9167;1.9675,-2.683,-1.7226;2.6921,-7.0029,-.0759;2.6511,-5.5098,-.6237;3.9337,-2.3163,-.4984;1.1476,-3.8765,-2.1779;6.4116,-7.7669,-2.914;-.072,-5.9505,-5.3351;/R:/0/N:20,41,43,40,42,44,18,13,14,21,24,35,36,17,26,3,37,2,4,28,19,31,27,33,15,39,7,6,8,11,9,16,5,23,1,10;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29)(34,35);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">8</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">8</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.49365946</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03802325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00932889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03802325</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00932889</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.20560262</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03549465</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.353038"
                                 y3="-2.74818"
                                 z3="-4.240184"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.011915"
                                 y3="-3.549811"
                                 z3="-3.258182"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.378689"
                                 y3="-5.007018"
                                 z3="-5.754583"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.358095"
                                 y3="-2.179765"
                                 z3="-5.643699"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.007738"
                                 y3="-5.153876"
                                 z3="-4.166008"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.231196"
                                 y3="-7.505395"
                                 z3="-5.113219"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.811221"
                                 y3="-6.558634"
                                 z3="-2.171505"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.430878"
                                 y3="-7.386458"
                                 z3="-4.88215"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.118155"
                                 y3="-8.759472"
                                 z3="-2.913738"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.561715"
                                 y3="-6.143578"
                                 z3="-2.695971"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.690423"
                                 y3="-4.319947"
                                 z3="-4.657035"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="1.993958"
                                 y3="-3.759111"
                                 z3="-1.650528"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.831847"
                                 y3="-10.608338"
                                 z3="-2.535094"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.291964"
                                 y3="-10.864731"
                                 z3="-0.950714"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.909078"
                                 y3="-0.013781"
                                 z3="-4.685147"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.941819"
                                 y3="-4.477146"
                                 z3="-1.803608"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.353454"
                                 y3="-3.266036"
                                 z3="-0.663748"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.559042"
                                 y3="-4.244123"
                                 z3="-3.28654"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="5.979688"
                                 y3="-6.130971"
                                 z3="0.182347"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.681758"
                                 y3="-9.755143"
                                 z3="-1.023459"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.037604"
                                 y3="-8.245346"
                                 z3="-0.180932"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.130909"
                                 y3="-7.181264"
                                 z3="-1.481385"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.205687"
                                 y3="-2.3969"
                                 z3="-2.713694"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.801105"
                                 y3="-10.484335"
                                 z3="0.157099"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.114462"
                                 y3="-3.581226"
                                 z3="-3.907119"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.75722"
                                 y3="-0.808368"
                                 z3="-1.77068"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.667608"
                                 y3="-1.288106"
                                 z3="-2.028058"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.575658"
                                 y3="-6.828971"
                                 z3="-2.636732"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.837783"
                                 y3="-1.541474"
                                 z3="-2.488266"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.199139"
                                 y3="-1.521039"
                                 z3="-4.619046"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.568102"
                                 y3="-8.157226"
                                 z3="-1.176051"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.552034"
                                 y3="-10.00934"
                                 z3="-3.268975"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.531672"
                                 y3="-0.890901"
                                 z3="-4.966464"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.802492"
                                 y3="-3.631681"
                                 z3="-6.216907"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.793273"
                                 y3="-3.064924"
                                 z3="-3.389751"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.794116"
                                 y3="-2.155076"
                                 z3="-0.158941"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.901726"
                                 y3="-3.641081"
                                 z3="-6.596295"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.212974"
                                 y3="-6.054695"
                                 z3="-0.019994"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.672212"
                                 y3="0.418351"
                                 z3="-2.54372"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.100182"
                                 y3="-6.457397"
                                 z3="-1.320358"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.111101"
                                 y3="-2.443181"
                                 z3="-1.60326"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.05009"
                                 y3="-0.837631"
                                 z3="-3.621877"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.599059"
                                 y3="-3.503566"
                                 z3="-4.979655"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.935419"
                                 y3="-7.191462"
                                 z3="-3.905473"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.970855"
                                 y3="-2.70211"
                                 z3="-1.706398"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.702587"
                                 y3="-6.986763"
                                 z3="-0.080913"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.673261"
                                 y3="-5.483844"
                                 z3="-0.619598"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.91913"
                                 y3="-2.365755"
                                 z3="-0.545512"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.15063"
                                 y3="-3.930914"
                                 z3="-2.201318"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.420192"
                                 y3="-7.750837"
                                 z3="-2.937252"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.018663"
                                 y3="-5.926034"
                                 z3="-5.483114"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-7(30,32-4(20,21,22)36(6)7)34(2(12,13,14)15)5(23,24,25,26)35(7)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.353,-2.7482,-4.2402;.0119,-3.5498,-3.2582;-.3787,-5.007,-5.7546;-.3581,-2.1798,-5.6437;2.0077,-5.1539,-4.166;3.2312,-7.5054,-5.1132;.8112,-6.5586,-2.1715;.4309,-7.3865,-4.8822;2.1182,-8.7595,-2.9137;3.5617,-6.1436,-2.696;4.6904,-4.3199,-4.657;1.994,-3.7591,-1.6505;3.8318,-10.6083,-2.5351;1.292,-10.8647,-.9507;1.9091,-.0138,-4.6851;4.9418,-4.4771,-1.8036;7.3535,-3.266,-.6637;3.559,-4.2441,-3.2865;5.9797,-6.131,.1823;2.6818,-9.7551,-1.0235;2.0376,-8.2453,-.1809;1.1309,-7.1813,-1.4814;4.2057,-2.3969,-2.7137;3.8011,-10.4843,.1571;6.1145,-3.5812,-3.9071;6.7572,-.8084,-1.7707;1.6676,-1.2881,-2.0281;6.5757,-6.829,-2.6367;.8378,-1.5415,-2.4883;5.1991,-1.521,-4.619;4.5681,-8.1572,-1.1761;3.552,-10.0093,-3.269;4.5317,-.8909,-4.9665;2.8025,-3.6317,-6.2169;6.7933,-3.0649,-3.3898;4.7941,-2.1551,-.1589;1.9017,-3.6411,-6.5963;3.213,-6.0547,-.02;3.6722,.4184,-2.5437;5.1002,-6.4574,-1.3204;6.1111,-2.4432,-1.6033;3.0501,-.8376,-3.6219;.5991,-3.5036,-4.9797;1.9354,-7.1915,-3.9055;1.9709,-2.7021,-1.7064;2.7026,-6.9868,-.0809;2.6733,-5.4838,-.6196;3.9191,-2.3658,-.5455;1.1506,-3.9309,-2.2013;6.4202,-7.7508,-2.9373;-.0187,-5.926,-5.4831;/R:/0/N:20,41,43,40,42,44,18,13,14,21,24,35,36,17,26,3,37,2,4,28,19,31,27,33,15,39,7,6,8,11,9,16,5,23,1,10;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29)(34,35);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">9</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">9</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.50043535</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03079635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00672770</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03079635</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00672770</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06157561</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01934219</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.343412"
                                 y3="-2.753345"
                                 z3="-4.235038"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.008212"
                                 y3="-3.542281"
                                 z3="-3.26939"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.404331"
                                 y3="-4.994725"
                                 z3="-5.73467"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.341272"
                                 y3="-2.164572"
                                 z3="-5.655052"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.01456"
                                 y3="-5.150617"
                                 z3="-4.180924"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.245799"
                                 y3="-7.491766"
                                 z3="-5.103933"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.800675"
                                 y3="-6.546682"
                                 z3="-2.183771"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.451713"
                                 y3="-7.38981"
                                 z3="-4.921346"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.107991"
                                 y3="-8.766268"
                                 z3="-2.91877"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.566575"
                                 y3="-6.148221"
                                 z3="-2.705249"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.692135"
                                 y3="-4.330402"
                                 z3="-4.677402"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.003849"
                                 y3="-3.798905"
                                 z3="-1.637696"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.824326"
                                 y3="-10.605123"
                                 z3="-2.505841"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.273953"
                                 y3="-10.872501"
                                 z3="-0.967085"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.903232"
                                 y3="-0.010053"
                                 z3="-4.660233"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.954503"
                                 y3="-4.486377"
                                 z3="-1.831762"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.367773"
                                 y3="-3.254824"
                                 z3="-0.671652"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.567598"
                                 y3="-4.252982"
                                 z3="-3.309681"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="5.968041"
                                 y3="-6.116936"
                                 z3="0.186769"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.6616"
                                 y3="-9.756401"
                                 z3="-1.007463"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.009717"
                                 y3="-8.236822"
                                 z3="-0.188747"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.109966"
                                 y3="-7.178009"
                                 z3="-1.493864"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.203416"
                                 y3="-2.399456"
                                 z3="-2.722715"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.748102"
                                 y3="-10.465892"
                                 z3="0.218674"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.139835"
                                 y3="-3.604779"
                                 z3="-3.91092"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.745165"
                                 y3="-0.797702"
                                 z3="-1.790354"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.657723"
                                 y3="-1.31115"
                                 z3="-2.019459"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.588899"
                                 y3="-6.812813"
                                 z3="-2.604235"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.8401"
                                 y3="-1.597875"
                                 z3="-2.483542"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.201023"
                                 y3="-1.48398"
                                 z3="-4.598687"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.569416"
                                 y3="-8.154001"
                                 z3="-1.173632"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.553191"
                                 y3="-10.028117"
                                 z3="-3.254978"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.521976"
                                 y3="-0.863976"
                                 z3="-4.942633"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.801713"
                                 y3="-3.649732"
                                 z3="-6.234698"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.789673"
                                 y3="-3.027067"
                                 z3="-3.431704"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.822465"
                                 y3="-2.185987"
                                 z3="-0.1635"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.901514"
                                 y3="-3.652937"
                                 z3="-6.617274"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.221663"
                                 y3="-6.035009"
                                 z3="-0.023664"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.655042"
                                 y3="0.417279"
                                 z3="-2.505473"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.10398"
                                 y3="-6.456168"
                                 z3="-1.320669"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.131192"
                                 y3="-2.443927"
                                 z3="-1.630508"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.037262"
                                 y3="-0.834587"
                                 z3="-3.590742"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.600745"
                                 y3="-3.493026"
                                 z3="-4.982594"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.938203"
                                 y3="-7.199449"
                                 z3="-3.910204"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.975307"
                                 y3="-2.748864"
                                 z3="-1.687779"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.703406"
                                 y3="-6.961865"
                                 z3="-0.090924"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.689486"
                                 y3="-5.450223"
                                 z3="-0.619326"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.945284"
                                 y3="-2.381898"
                                 z3="-0.551849"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.159259"
                                 y3="-3.983475"
                                 z3="-2.204216"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.464998"
                                 y3="-7.723945"
                                 z3="-2.944186"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.03192"
                                 y3="-5.896367"
                                 z3="-5.458816"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-7(30,32-4(20,21,22)36(6)7)34(2(12,13,14)15)5(23,24,25,26)35(7)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.3434,-2.7533,-4.235;-.0082,-3.5423,-3.2694;-.4043,-4.9947,-5.7347;-.3413,-2.1646,-5.6551;2.0146,-5.1506,-4.1809;3.2458,-7.4918,-5.1039;.8007,-6.5467,-2.1838;.4517,-7.3898,-4.9213;2.108,-8.7663,-2.9188;3.5666,-6.1482,-2.7052;4.6921,-4.3304,-4.6774;2.0038,-3.7989,-1.6377;3.8243,-10.6051,-2.5058;1.274,-10.8725,-.9671;1.9032,-.0101,-4.6602;4.9545,-4.4864,-1.8318;7.3678,-3.2548,-.6717;3.5676,-4.253,-3.3097;5.968,-6.1169,.1868;2.6616,-9.7564,-1.0075;2.0097,-8.2368,-.1887;1.11,-7.178,-1.4939;4.2034,-2.3995,-2.7227;3.7481,-10.4659,.2187;6.1398,-3.6048,-3.9109;6.7452,-.7977,-1.7904;1.6577,-1.3112,-2.0195;6.5889,-6.8128,-2.6042;.8401,-1.5979,-2.4835;5.201,-1.484,-4.5987;4.5694,-8.154,-1.1736;3.5532,-10.0281,-3.255;4.522,-.864,-4.9426;2.8017,-3.6497,-6.2347;6.7897,-3.0271,-3.4317;4.8225,-2.186,-.1635;1.9015,-3.6529,-6.6173;3.2217,-6.035,-.0237;3.655,.4173,-2.5055;5.104,-6.4562,-1.3207;6.1312,-2.4439,-1.6305;3.0373,-.8346,-3.5907;.6007,-3.493,-4.9826;1.9382,-7.1994,-3.9102;1.9753,-2.7489,-1.6878;2.7034,-6.9619,-.0909;2.6895,-5.4502,-.6193;3.9453,-2.3819,-.5518;1.1593,-3.9835,-2.2042;6.465,-7.7239,-2.9442;-.0319,-5.8964,-5.4588;/R:/0/N:20,41,43,40,42,44,18,13,14,21,24,35,36,17,26,3,37,2,4,28,19,31,27,33,15,39,7,6,8,11,9,16,5,23,1,10;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29)(34,35);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">10</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">10</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.50512550</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02398447</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00546914</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02398447</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00546914</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11840351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04071249</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.328699"
                                 y3="-2.763626"
                                 z3="-4.221336"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.033692"
                                 y3="-3.518826"
                                 z3="-3.267639"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.427897"
                                 y3="-4.958106"
                                 z3="-5.710967"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.307787"
                                 y3="-2.127269"
                                 z3="-5.646753"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.029521"
                                 y3="-5.147638"
                                 z3="-4.210393"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.283544"
                                 y3="-7.468799"
                                 z3="-5.094598"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.783991"
                                 y3="-6.509682"
                                 z3="-2.22691"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.491394"
                                 y3="-7.40715"
                                 z3="-4.983124"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.081433"
                                 y3="-8.786471"
                                 z3="-2.943062"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.570312"
                                 y3="-6.161686"
                                 z3="-2.719117"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.702999"
                                 y3="-4.357348"
                                 z3="-4.719949"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.015816"
                                 y3="-3.886975"
                                 z3="-1.605537"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.825342"
                                 y3="-10.618013"
                                 z3="-2.420082"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.231152"
                                 y3="-10.882087"
                                 z3="-0.992319"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.913189"
                                 y3="-0.012129"
                                 z3="-4.619035"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.980281"
                                 y3="-4.504994"
                                 z3="-1.888409"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.413272"
                                 y3="-3.248364"
                                 z3="-0.728835"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.582032"
                                 y3="-4.274476"
                                 z3="-3.357371"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="5.928076"
                                 y3="-6.083237"
                                 z3="0.21094"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.616445"
                                 y3="-9.763141"
                                 z3="-0.980144"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.947282"
                                 y3="-8.224593"
                                 z3="-0.223464"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.082484"
                                 y3="-7.139331"
                                 z3="-1.52926"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.192826"
                                 y3="-2.413065"
                                 z3="-2.734463"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.635801"
                                 y3="-10.440706"
                                 z3="0.319061"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.143003"
                                 y3="-3.585578"
                                 z3="-3.966915"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.743985"
                                 y3="-0.785867"
                                 z3="-1.830697"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.636031"
                                 y3="-1.360974"
                                 z3="-2.000483"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.614909"
                                 y3="-6.781731"
                                 z3="-2.530158"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.850185"
                                 y3="-1.716278"
                                 z3="-2.475256"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.194326"
                                 y3="-1.44266"
                                 z3="-4.53792"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.568849"
                                 y3="-8.14353"
                                 z3="-1.163209"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.597479"
                                 y3="-10.061907"
                                 z3="-3.193236"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.507166"
                                 y3="-0.826447"
                                 z3="-4.873838"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.785268"
                                 y3="-3.709846"
                                 z3="-6.272326"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.763094"
                                 y3="-2.951843"
                                 z3="-3.524804"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.882479"
                                 y3="-2.22379"
                                 z3="-0.19323"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.884335"
                                 y3="-3.668053"
                                 z3="-6.649108"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.209564"
                                 y3="-6.002336"
                                 z3="-0.047226"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.619137"
                                 y3="0.414025"
                                 z3="-2.411745"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.102175"
                                 y3="-6.449468"
                                 z3="-1.310606"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.174786"
                                 y3="-2.445851"
                                 z3="-1.690392"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.015739"
                                 y3="-0.830057"
                                 z3="-3.511554"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.609018"
                                 y3="-3.46465"
                                 z3="-4.963645"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.948831"
                                 y3="-7.223163"
                                 z3="-3.926229"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.982806"
                                 y3="-2.856211"
                                 z3="-1.644735"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.690466"
                                 y3="-6.907133"
                                 z3="-0.126332"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.690069"
                                 y3="-5.394605"
                                 z3="-0.63557"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.000155"
                                 y3="-2.366908"
                                 z3="-0.592091"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.179987"
                                 y3="-4.084691"
                                 z3="-2.159074"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.562123"
                                 y3="-7.665272"
                                 z3="-2.94913"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.03076"
                                 y3="-5.842074"
                                 z3="-5.451135"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-7(30,32-4(20,21,22)36(6)7)34(2(12,13,14)15)5(23,24,25,26)35(7)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.3287,-2.7636,-4.2213;-.0337,-3.5188,-3.2676;-.4279,-4.9581,-5.711;-.3078,-2.1273,-5.6468;2.0295,-5.1476,-4.2104;3.2835,-7.4688,-5.0946;.784,-6.5097,-2.2269;.4914,-7.4071,-4.9831;2.0814,-8.7865,-2.9431;3.5703,-6.1617,-2.7191;4.703,-4.3573,-4.7199;2.0158,-3.887,-1.6055;3.8253,-10.618,-2.4201;1.2312,-10.8821,-.9923;1.9132,-.0121,-4.619;4.9803,-4.505,-1.8884;7.4133,-3.2484,-.7288;3.582,-4.2745,-3.3574;5.9281,-6.0832,.2109;2.6164,-9.7631,-.9801;1.9473,-8.2246,-.2235;1.0825,-7.1393,-1.5293;4.1928,-2.4131,-2.7345;3.6358,-10.4407,.3191;6.143,-3.5856,-3.9669;6.744,-.7859,-1.8307;1.636,-1.361,-2.0005;6.6149,-6.7817,-2.5302;.8502,-1.7163,-2.4753;5.1943,-1.4427,-4.5379;4.5688,-8.1435,-1.1632;3.5975,-10.0619,-3.1932;4.5072,-.8264,-4.8738;2.7853,-3.7098,-6.2723;6.7631,-2.9518,-3.5248;4.8825,-2.2238,-.1932;1.8843,-3.6681,-6.6491;3.2096,-6.0023,-.0472;3.6191,.414,-2.4117;5.1022,-6.4495,-1.3106;6.1748,-2.4459,-1.6904;3.0157,-.8301,-3.5116;.609,-3.4646,-4.9636;1.9488,-7.2232,-3.9262;1.9828,-2.8562,-1.6447;2.6905,-6.9071,-.1263;2.6901,-5.3946,-.6356;4.0002,-2.3669,-.5921;1.18,-4.0847,-2.1591;6.5621,-7.6653,-2.9491;-.0308,-5.8421,-5.4511;/R:/0/N:20,41,43,40,42,44,18,13,14,21,24,35,36,17,26,3,37,2,4,28,19,31,27,33,15,39,7,6,8,11,9,16,5,23,1,10;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29)(34,35);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">11</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">11</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.50978048</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01358483</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00434611</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01358483</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00434611</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04398192</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01279546</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.341851"
                                 y3="-2.759754"
                                 z3="-4.230038"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.034506"
                                 y3="-3.503389"
                                 z3="-3.273328"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.42998"
                                 y3="-4.961379"
                                 z3="-5.700824"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.297464"
                                 y3="-2.127659"
                                 z3="-5.667009"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.030568"
                                 y3="-5.147006"
                                 z3="-4.215874"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.26542"
                                 y3="-7.505343"
                                 z3="-5.103811"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.751043"
                                 y3="-6.550123"
                                 z3="-2.236364"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.488981"
                                 y3="-7.402205"
                                 z3="-4.981982"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.073251"
                                 y3="-8.78636"
                                 z3="-2.94083"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.573876"
                                 y3="-6.165154"
                                 z3="-2.721531"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.711671"
                                 y3="-4.363342"
                                 z3="-4.726301"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.014239"
                                 y3="-3.896318"
                                 z3="-1.608357"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.821326"
                                 y3="-10.595468"
                                 z3="-2.426042"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.228522"
                                 y3="-10.872969"
                                 z3="-0.99647"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.930572"
                                 y3="-0.000213"
                                 z3="-4.608365"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.98391"
                                 y3="-4.504503"
                                 z3="-1.896084"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.418951"
                                 y3="-3.259269"
                                 z3="-0.740471"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.585835"
                                 y3="-4.278106"
                                 z3="-3.366633"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="5.939848"
                                 y3="-6.079654"
                                 z3="0.208544"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.614952"
                                 y3="-9.756454"
                                 z3="-0.976207"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.939901"
                                 y3="-8.218348"
                                 z3="-0.221815"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.049129"
                                 y3="-7.183313"
                                 z3="-1.541612"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.19309"
                                 y3="-2.415092"
                                 z3="-2.729644"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.624879"
                                 y3="-10.442158"
                                 z3="0.325453"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.11521"
                                 y3="-3.56189"
                                 z3="-3.980766"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.742019"
                                 y3="-0.787374"
                                 z3="-1.816349"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.623865"
                                 y3="-1.361698"
                                 z3="-2.009108"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.625838"
                                 y3="-6.771315"
                                 z3="-2.529015"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.853027"
                                 y3="-1.739915"
                                 z3="-2.493047"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.206055"
                                 y3="-1.4385"
                                 z3="-4.514701"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.571126"
                                 y3="-8.139809"
                                 z3="-1.16308"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.599579"
                                 y3="-10.030295"
                                 z3="-3.195753"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.525067"
                                 y3="-0.815913"
                                 z3="-4.852704"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.782429"
                                 y3="-3.740006"
                                 z3="-6.277635"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.742529"
                                 y3="-2.93061"
                                 z3="-3.541344"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.886666"
                                 y3="-2.229533"
                                 z3="-0.189028"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.883091"
                                 y3="-3.687091"
                                 z3="-6.656885"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.219022"
                                 y3="-5.995267"
                                 z3="-0.034598"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.620266"
                                 y3="0.412183"
                                 z3="-2.385073"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.111151"
                                 y3="-6.446776"
                                 z3="-1.311982"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.179084"
                                 y3="-2.450501"
                                 z3="-1.693935"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.025539"
                                 y3="-0.824461"
                                 z3="-3.496908"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.611782"
                                 y3="-3.462835"
                                 z3="-4.969157"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.944887"
                                 y3="-7.225576"
                                 z3="-3.924483"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.979498"
                                 y3="-2.86582"
                                 z3="-1.641028"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.696665"
                                 y3="-6.89503"
                                 z3="-0.122412"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.704088"
                                 y3="-5.371651"
                                 z3="-0.61065"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.006452"
                                 y3="-2.34581"
                                 z3="-0.60161"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.183023"
                                 y3="-4.098657"
                                 z3="-2.159492"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.57533"
                                 y3="-7.650325"
                                 z3="-2.9523"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.041434"
                                 y3="-5.846558"
                                 z3="-5.42477"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-7(30,32-4(20,21,22)36(6)7)34(2(12,13,14)15)5(23,24,25,26)35(7)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.3419,-2.7598,-4.23;-.0345,-3.5034,-3.2733;-.43,-4.9614,-5.7008;-.2975,-2.1277,-5.667;2.0306,-5.147,-4.2159;3.2654,-7.5053,-5.1038;.751,-6.5501,-2.2364;.489,-7.4022,-4.982;2.0733,-8.7864,-2.9408;3.5739,-6.1652,-2.7215;4.7117,-4.3633,-4.7263;2.0142,-3.8963,-1.6084;3.8213,-10.5955,-2.426;1.2285,-10.873,-.9965;1.9306,-.0002,-4.6084;4.9839,-4.5045,-1.8961;7.419,-3.2593,-.7405;3.5858,-4.2781,-3.3666;5.9398,-6.0797,.2085;2.615,-9.7565,-.9762;1.9399,-8.2183,-.2218;1.0491,-7.1833,-1.5416;4.1931,-2.4151,-2.7296;3.6249,-10.4422,.3255;6.1152,-3.5619,-3.9808;6.742,-.7874,-1.8163;1.6239,-1.3617,-2.0091;6.6258,-6.7713,-2.529;.853,-1.7399,-2.493;5.2061,-1.4385,-4.5147;4.5711,-8.1398,-1.1631;3.5996,-10.0303,-3.1958;4.5251,-.8159,-4.8527;2.7824,-3.74,-6.2776;6.7425,-2.9306,-3.5413;4.8867,-2.2295,-.189;1.8831,-3.6871,-6.6569;3.219,-5.9953,-.0346;3.6203,.4122,-2.3851;5.1112,-6.4468,-1.312;6.1791,-2.4505,-1.6939;3.0255,-.8245,-3.4969;.6118,-3.4628,-4.9692;1.9449,-7.2256,-3.9245;1.9795,-2.8658,-1.641;2.6967,-6.895,-.1224;2.7041,-5.3717,-.6107;4.0065,-2.3458,-.6016;1.183,-4.0987,-2.1595;6.5753,-7.6503,-2.9523;-.0414,-5.8466,-5.4248;/R:/0/N:20,41,43,40,42,44,18,13,14,21,24,35,36,17,26,3,37,2,4,28,19,31,27,33,15,39,7,6,8,11,9,16,5,23,1,10;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29)(34,35);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">12</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">12</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.51126512</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01102036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00359113</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01102036</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00359113</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12582408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03945301</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.367655"
                                 y3="-2.758922"
                                 z3="-4.255603"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.044153"
                                 y3="-3.464998"
                                 z3="-3.302752"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.427039"
                                 y3="-4.961752"
                                 z3="-5.694135"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.250185"
                                 y3="-2.124958"
                                 z3="-5.735287"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.036875"
                                 y3="-5.150352"
                                 z3="-4.244578"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.255661"
                                 y3="-7.552255"
                                 z3="-5.102502"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.739874"
                                 y3="-6.524135"
                                 z3="-2.265902"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.477922"
                                 y3="-7.391285"
                                 z3="-4.98027"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.035177"
                                 y3="-8.794751"
                                 z3="-2.938145"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.577759"
                                 y3="-6.18036"
                                 z3="-2.738498"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.73403"
                                 y3="-4.38403"
                                 z3="-4.758575"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.001987"
                                 y3="-3.969283"
                                 z3="-1.60195"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.806195"
                                 y3="-10.560827"
                                 z3="-2.405852"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.201299"
                                 y3="-10.864178"
                                 z3="-0.996349"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.970594"
                                 y3="0.025477"
                                 z3="-4.552555"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="4.997502"
                                 y3="-4.511464"
                                 z3="-1.939736"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.457621"
                                 y3="-3.30382"
                                 z3="-0.825892"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.592527"
                                 y3="-4.297722"
                                 z3="-3.409602"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="5.944938"
                                 y3="-6.069216"
                                 z3="0.207628"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.591243"
                                 y3="-9.755449"
                                 z3="-0.954261"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.898109"
                                 y3="-8.212636"
                                 z3="-0.233736"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.084705"
                                 y3="-7.09043"
                                 z3="-1.536127"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.177054"
                                 y3="-2.433848"
                                 z3="-2.709814"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.576943"
                                 y3="-10.432591"
                                 z3="0.367582"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.034477"
                                 y3="-3.484646"
                                 z3="-4.049472"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.748347"
                                 y3="-0.796034"
                                 z3="-1.793623"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.567844"
                                 y3="-1.397512"
                                 z3="-2.022718"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.659223"
                                 y3="-6.747859"
                                 z3="-2.507895"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.85831"
                                 y3="-1.8606"
                                 z3="-2.53271"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.223281"
                                 y3="-1.409252"
                                 z3="-4.415766"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.565323"
                                 y3="-8.128273"
                                 z3="-1.161916"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.608758"
                                 y3="-9.974879"
                                 z3="-3.16906"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.554068"
                                 y3="-0.770141"
                                 z3="-4.751018"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.776318"
                                 y3="-3.851083"
                                 z3="-6.309746"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.674565"
                                 y3="-2.855037"
                                 z3="-3.61247"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.925531"
                                 y3="-2.261625"
                                 z3="-0.189135"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.883989"
                                 y3="-3.741218"
                                 z3="-6.692249"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.219888"
                                 y3="-5.9666"
                                 z3="-0.02854"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.582231"
                                 y3="0.394062"
                                 z3="-2.259249"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.124493"
                                 y3="-6.440858"
                                 z3="-1.316424"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.200281"
                                 y3="-2.466422"
                                 z3="-1.72549"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.028271"
                                 y3="-0.816905"
                                 z3="-3.415684"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.626948"
                                 y3="-3.455346"
                                 z3="-4.988001"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.933149"
                                 y3="-7.244455"
                                 z3="-3.92327"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.961066"
                                 y3="-2.949603"
                                 z3="-1.611025"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.696643"
                                 y3="-6.845104"
                                 z3="-0.137133"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.719778"
                                 y3="-5.304521"
                                 z3="-0.575906"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.052219"
                                 y3="-2.290165"
                                 z3="-0.63266"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.184715"
                                 y3="-4.19021"
                                 z3="-2.132966"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.63201"
                                 y3="-7.606139"
                                 z3="-2.968189"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.054297"
                                 y3="-5.850397"
                                 z3="-5.394185"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-7(30,32-4(20,21,22)36(6)7)34(2(12,13,14)15)5(23,24,25,26)35(7)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.3677,-2.7589,-4.2556;-.0442,-3.465,-3.3028;-.427,-4.9618,-5.6941;-.2502,-2.125,-5.7353;2.0369,-5.1504,-4.2446;3.2557,-7.5523,-5.1025;.7399,-6.5241,-2.2659;.4779,-7.3913,-4.9803;2.0352,-8.7948,-2.9381;3.5778,-6.1804,-2.7385;4.734,-4.384,-4.7586;2.002,-3.9693,-1.6019;3.8062,-10.5608,-2.4059;1.2013,-10.8642,-.9963;1.9706,.0255,-4.5526;4.9975,-4.5115,-1.9397;7.4576,-3.3038,-.8259;3.5925,-4.2977,-3.4096;5.9449,-6.0692,.2076;2.5912,-9.7554,-.9543;1.8981,-8.2126,-.2337;1.0847,-7.0904,-1.5361;4.1771,-2.4338,-2.7098;3.5769,-10.4326,.3676;6.0345,-3.4846,-4.0495;6.7483,-.796,-1.7936;1.5678,-1.3975,-2.0227;6.6592,-6.7479,-2.5079;.8583,-1.8606,-2.5327;5.2233,-1.4093,-4.4158;4.5653,-8.1283,-1.1619;3.6088,-9.9749,-3.1691;4.5541,-.7701,-4.751;2.7763,-3.8511,-6.3097;6.6746,-2.855,-3.6125;4.9255,-2.2616,-.1891;1.884,-3.7412,-6.6922;3.2199,-5.9666,-.0285;3.5822,.3941,-2.2592;5.1245,-6.4409,-1.3164;6.2003,-2.4664,-1.7255;3.0283,-.8169,-3.4157;.6269,-3.4553,-4.988;1.9331,-7.2445,-3.9233;1.9611,-2.9496,-1.611;2.6966,-6.8451,-.1371;2.7198,-5.3045,-.5759;4.0522,-2.2902,-.6327;1.1847,-4.1902,-2.133;6.632,-7.6061,-2.9682;-.0543,-5.8504,-5.3942;/R:/0/N:20,41,43,40,42,44,18,13,14,21,24,35,36,17,26,3,37,2,4,28,19,31,27,33,15,39,7,6,8,11,9,16,5,23,1,10;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29)(34,35);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">13</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">13</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.51424008</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01181878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00288012</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01181878</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00288012</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04472741</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01473353</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.377063"
                                 y3="-2.758192"
                                 z3="-4.270116"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.040215"
                                 y3="-3.448688"
                                 z3="-3.321309"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.421035"
                                 y3="-4.956897"
                                 z3="-5.702994"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.22392"
                                 y3="-2.125723"
                                 z3="-5.771463"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.039285"
                                 y3="-5.148918"
                                 z3="-4.252074"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.248428"
                                 y3="-7.563889"
                                 z3="-5.099472"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.739472"
                                 y3="-6.521522"
                                 z3="-2.268831"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.465399"
                                 y3="-7.377482"
                                 z3="-4.971865"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.018428"
                                 y3="-8.793415"
                                 z3="-2.934725"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.576469"
                                 y3="-6.180518"
                                 z3="-2.748186"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.737834"
                                 y3="-4.377916"
                                 z3="-4.766657"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="1.99782"
                                 y3="-3.987047"
                                 z3="-1.595155"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.805065"
                                 y3="-10.567215"
                                 z3="-2.379561"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.185571"
                                 y3="-10.846437"
                                 z3="-0.977971"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.972424"
                                 y3="0.030902"
                                 z3="-4.537373"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.004133"
                                 y3="-4.510246"
                                 z3="-1.953427"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.468392"
                                 y3="-3.320724"
                                 z3="-0.860519"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.592126"
                                 y3="-4.297549"
                                 z3="-3.41932"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="5.960769"
                                 y3="-6.076353"
                                 z3="0.190645"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.58245"
                                 y3="-9.746602"
                                 z3="-0.944977"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.898406"
                                 y3="-8.198588"
                                 z3="-0.231577"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.081247"
                                 y3="-7.083078"
                                 z3="-1.533986"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.164904"
                                 y3="-2.436385"
                                 z3="-2.693808"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.570776"
                                 y3="-10.41713"
                                 z3="0.377701"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.031604"
                                 y3="-3.462529"
                                 z3="-4.069386"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.748773"
                                 y3="-0.79613"
                                 z3="-1.775506"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.54098"
                                 y3="-1.409291"
                                 z3="-2.030126"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.665304"
                                 y3="-6.754826"
                                 z3="-2.526534"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.85444"
                                 y3="-1.901547"
                                 z3="-2.546594"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.227755"
                                 y3="-1.382873"
                                 z3="-4.386265"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.560752"
                                 y3="-8.120582"
                                 z3="-1.168591"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.617986"
                                 y3="-9.979736"
                                 z3="-3.14407"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.554783"
                                 y3="-0.743516"
                                 z3="-4.715976"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.783389"
                                 y3="-3.89581"
                                 z3="-6.319768"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.663895"
                                 y3="-2.828658"
                                 z3="-3.624588"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.937032"
                                 y3="-2.28894"
                                 z3="-0.179471"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.895663"
                                 y3="-3.758515"
                                 z3="-6.703362"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.230748"
                                 y3="-5.947651"
                                 z3="-0.028258"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.553163"
                                 y3="0.391772"
                                 z3="-2.217509"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.132442"
                                 y3="-6.440118"
                                 z3="-1.328996"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.199971"
                                 y3="-2.467749"
                                 z3="-1.728331"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="3.020586"
                                 y3="-0.811984"
                                 z3="-3.391023"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.637323"
                                 y3="-3.454681"
                                 z3="-5.00278"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.9263"
                                 y3="-7.246459"
                                 z3="-3.920557"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.95261"
                                 y3="-2.971416"
                                 z3="-1.596645"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.7064"
                                 y3="-6.818233"
                                 z3="-0.137675"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.732648"
                                 y3="-5.281331"
                                 z3="-0.573849"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.064259"
                                 y3="-2.313917"
                                 z3="-0.625767"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.179401"
                                 y3="-4.220279"
                                 z3="-2.118258"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.625585"
                                 y3="-7.611064"
                                 z3="-2.994276"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.053363"
                                 y3="-5.848936"
                                 z3="-5.402227"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-7(30,32-4(20,21,22)36(6)7)34(2(12,13,14)15)5(23,24,25,26)35(7)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.3771,-2.7582,-4.2701;-.0402,-3.4487,-3.3213;-.421,-4.9569,-5.703;-.2239,-2.1257,-5.7715;2.0393,-5.1489,-4.2521;3.2484,-7.5639,-5.0995;.7395,-6.5215,-2.2688;.4654,-7.3775,-4.9719;2.0184,-8.7934,-2.9347;3.5765,-6.1805,-2.7482;4.7378,-4.3779,-4.7667;1.9978,-3.987,-1.5952;3.8051,-10.5672,-2.3796;1.1856,-10.8464,-.978;1.9724,.0309,-4.5374;5.0041,-4.5102,-1.9534;7.4684,-3.3207,-.8605;3.5921,-4.2975,-3.4193;5.9608,-6.0764,.1906;2.5825,-9.7466,-.945;1.8984,-8.1986,-.2316;1.0812,-7.0831,-1.534;4.1649,-2.4364,-2.6938;3.5708,-10.4171,.3777;6.0316,-3.4625,-4.0694;6.7488,-.7961,-1.7755;1.541,-1.4093,-2.0301;6.6653,-6.7548,-2.5265;.8544,-1.9015,-2.5466;5.2278,-1.3829,-4.3863;4.5608,-8.1206,-1.1686;3.618,-9.9797,-3.1441;4.5548,-.7435,-4.716;2.7834,-3.8958,-6.3198;6.6639,-2.8287,-3.6246;4.937,-2.2889,-.1795;1.8957,-3.7585,-6.7034;3.2307,-5.9477,-.0283;3.5532,.3918,-2.2175;5.1324,-6.4401,-1.329;6.2,-2.4677,-1.7283;3.0206,-.812,-3.391;.6373,-3.4547,-5.0028;1.9263,-7.2465,-3.9206;1.9526,-2.9714,-1.5966;2.7064,-6.8182,-.1377;2.7326,-5.2813,-.5738;4.0643,-2.3139,-.6258;1.1794,-4.2203,-2.1183;6.6256,-7.6111,-2.9943;-.0534,-5.8489,-5.4022;/R:/0/N:20,41,43,40,42,44,18,13,14,21,24,35,36,17,26,3,37,2,4,28,19,31,27,33,15,39,7,6,8,11,9,16,5,23,1,10;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29)(34,35);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">14</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">14</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.51539156</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01053907</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00258607</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01053907</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00258607</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12994752</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04113055</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.404279"
                                 y3="-2.75958"
                                 z3="-4.314208"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.020048"
                                 y3="-3.404109"
                                 z3="-3.369974"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.408604"
                                 y3="-4.94955"
                                 z3="-5.721994"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.14576"
                                 y3="-2.1354"
                                 z3="-5.87396"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.048184"
                                 y3="-5.145703"
                                 z3="-4.265495"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.234997"
                                 y3="-7.584187"
                                 z3="-5.073363"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.774077"
                                 y3="-6.480286"
                                 z3="-2.256508"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.432707"
                                 y3="-7.348308"
                                 z3="-4.93611"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.981775"
                                 y3="-8.788045"
                                 z3="-2.907854"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.573361"
                                 y3="-6.172728"
                                 z3="-2.773379"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.74611"
                                 y3="-4.347729"
                                 z3="-4.777041"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="1.990837"
                                 y3="-4.015717"
                                 z3="-1.579551"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.769295"
                                 y3="-10.569564"
                                 z3="-2.35497"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.15327"
                                 y3="-10.800263"
                                 z3="-0.912262"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.968202"
                                 y3="0.0408"
                                 z3="-4.520902"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.022942"
                                 y3="-4.505017"
                                 z3="-1.979872"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.479671"
                                 y3="-3.350982"
                                 z3="-0.929287"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.591567"
                                 y3="-4.28842"
                                 z3="-3.434358"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.026822"
                                 y3="-6.111731"
                                 z3="0.126722"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.569433"
                                 y3="-9.723371"
                                 z3="-0.914832"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.915759"
                                 y3="-8.163861"
                                 z3="-0.209079"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.113566"
                                 y3="-7.016739"
                                 z3="-1.501652"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.126134"
                                 y3="-2.435185"
                                 z3="-2.643423"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.582602"
                                 y3="-10.392693"
                                 z3="0.38994"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.041984"
                                 y3="-3.405684"
                                 z3="-4.094733"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.727624"
                                 y3="-0.789416"
                                 z3="-1.704346"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.461502"
                                 y3="-1.436668"
                                 z3="-2.076327"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.669331"
                                 y3="-6.795205"
                                 z3="-2.610078"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.840282"
                                 y3="-1.997799"
                                 z3="-2.612556"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.242727"
                                 y3="-1.316853"
                                 z3="-4.313705"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.547033"
                                 y3="-8.102494"
                                 z3="-1.192432"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.571792"
                                 y3="-9.984839"
                                 z3="-3.118735"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.556317"
                                 y3="-0.683245"
                                 z3="-4.631484"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.810077"
                                 y3="-4.025757"
                                 z3="-6.335217"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.641332"
                                 y3="-2.755193"
                                 z3="-3.629056"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.945343"
                                 y3="-2.371835"
                                 z3="-0.140952"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.940213"
                                 y3="-3.81097"
                                 z3="-6.724066"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.277861"
                                 y3="-5.898644"
                                 z3="-0.023233"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.461991"
                                 y3="0.391979"
                                 z3="-2.136175"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.160312"
                                 y3="-6.443324"
                                 z3="-1.373868"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.18076"
                                 y3="-2.464698"
                                 z3="-1.713317"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.992153"
                                 y3="-0.798358"
                                 z3="-3.349247"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.668263"
                                 y3="-3.461587"
                                 z3="-5.048013"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.909802"
                                 y3="-7.247754"
                                 z3="-3.901703"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.923354"
                                 y3="-3.00818"
                                 z3="-1.569488"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.743636"
                                 y3="-6.756042"
                                 z3="-0.12692"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.777138"
                                 y3="-5.234756"
                                 z3="-0.57356"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.072509"
                                 y3="-2.433191"
                                 z3="-0.586673"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.18402"
                                 y3="-4.296303"
                                 z3="-2.10017"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.56884"
                                 y3="-7.648517"
                                 z3="-3.082441"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.055648"
                                 y3="-5.850908"
                                 z3="-5.421505"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-7(30,32-4(20,21,22)36(6)7)34(2(12,13,14)15)5(23,24,25,26)35(7)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.4043,-2.7596,-4.3142;-.02,-3.4041,-3.37;-.4086,-4.9496,-5.722;-.1458,-2.1354,-5.874;2.0482,-5.1457,-4.2655;3.235,-7.5842,-5.0734;.7741,-6.4803,-2.2565;.4327,-7.3483,-4.9361;1.9818,-8.788,-2.9079;3.5734,-6.1727,-2.7734;4.7461,-4.3477,-4.777;1.9908,-4.0157,-1.5796;3.7693,-10.5696,-2.355;1.1533,-10.8003,-.9123;1.9682,.0408,-4.5209;5.0229,-4.505,-1.9799;7.4797,-3.351,-.9293;3.5916,-4.2884,-3.4344;6.0268,-6.1117,.1267;2.5694,-9.7234,-.9148;1.9158,-8.1639,-.2091;1.1136,-7.0167,-1.5017;4.1261,-2.4352,-2.6434;3.5826,-10.3927,.3899;6.042,-3.4057,-4.0947;6.7276,-.7894,-1.7043;1.4615,-1.4367,-2.0763;6.6693,-6.7952,-2.6101;.8403,-1.9978,-2.6126;5.2427,-1.3169,-4.3137;4.547,-8.1025,-1.1924;3.5718,-9.9848,-3.1187;4.5563,-.6832,-4.6315;2.8101,-4.0258,-6.3352;6.6413,-2.7552,-3.6291;4.9453,-2.3718,-.141;1.9402,-3.811,-6.7241;3.2779,-5.8986,-.0232;3.462,.392,-2.1362;5.1603,-6.4433,-1.3739;6.1808,-2.4647,-1.7133;2.9922,-.7984,-3.3492;.6683,-3.4616,-5.048;1.9098,-7.2478,-3.9017;1.9234,-3.0082,-1.5695;2.7436,-6.756,-.1269;2.7771,-5.2348,-.5736;4.0725,-2.4332,-.5867;1.184,-4.2963,-2.1002;6.5688,-7.6485,-3.0824;-.0556,-5.8509,-5.4215;/R:/0/N:20,41,43,40,42,44,18,13,14,21,24,35,36,17,26,3,37,2,4,28,19,31,27,33,15,39,7,6,8,11,9,16,5,23,1,10;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29)(34,35);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">15</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">15</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.51719202</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01243265</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00304460</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01243265</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00304460</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07510337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01926806</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.411542"
                                 y3="-2.760032"
                                 z3="-4.322516"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.011813"
                                 y3="-3.391502"
                                 z3="-3.383833"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.405239"
                                 y3="-4.94791"
                                 z3="-5.724958"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.113682"
                                 y3="-2.136455"
                                 z3="-5.901166"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.05373"
                                 y3="-5.142908"
                                 z3="-4.271402"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.23364"
                                 y3="-7.586634"
                                 z3="-5.066038"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.785514"
                                 y3="-6.463217"
                                 z3="-2.257769"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.434492"
                                 y3="-7.348832"
                                 z3="-4.939803"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.971996"
                                 y3="-8.786536"
                                 z3="-2.90038"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.573582"
                                 y3="-6.164253"
                                 z3="-2.78262"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.745003"
                                 y3="-4.331774"
                                 z3="-4.779454"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="1.996053"
                                 y3="-4.015769"
                                 z3="-1.566999"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.753632"
                                 y3="-10.586917"
                                 z3="-2.33135"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.135584"
                                 y3="-10.778063"
                                 z3="-0.883599"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.976508"
                                 y3="0.050015"
                                 z3="-4.530317"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.035339"
                                 y3="-4.508491"
                                 z3="-1.991485"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.473181"
                                 y3="-3.345945"
                                 z3="-0.934803"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.592334"
                                 y3="-4.280845"
                                 z3="-3.437274"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.072429"
                                 y3="-6.132346"
                                 z3="0.085455"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.560074"
                                 y3="-9.710538"
                                 z3="-0.901581"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.930092"
                                 y3="-8.141766"
                                 z3="-0.19896"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.111286"
                                 y3="-7.001653"
                                 z3="-1.498293"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.105055"
                                 y3="-2.428809"
                                 z3="-2.625739"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.580586"
                                 y3="-10.372572"
                                 z3="0.402657"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.047471"
                                 y3="-3.37235"
                                 z3="-4.089405"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.693945"
                                 y3="-0.779201"
                                 z3="-1.665452"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.441693"
                                 y3="-1.43537"
                                 z3="-2.097982"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.659159"
                                 y3="-6.824724"
                                 z3="-2.665565"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.832801"
                                 y3="-2.012407"
                                 z3="-2.637125"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.246968"
                                 y3="-1.30977"
                                 z3="-4.295956"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.541276"
                                 y3="-8.097633"
                                 z3="-1.208227"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.547942"
                                 y3="-10.019982"
                                 z3="-3.105834"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.555744"
                                 y3="-0.678272"
                                 z3="-4.608586"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.822122"
                                 y3="-4.077199"
                                 z3="-6.336062"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.627611"
                                 y3="-2.711106"
                                 z3="-3.620278"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.929079"
                                 y3="-2.404557"
                                 z3="-0.126689"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="1.963841"
                                 y3="-3.820983"
                                 z3="-6.726443"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.31879"
                                 y3="-5.8831"
                                 z3="-0.016547"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.433468"
                                 y3="0.403153"
                                 z3="-2.124944"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.178302"
                                 y3="-6.448304"
                                 z3="-1.401666"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.161263"
                                 y3="-2.459015"
                                 z3="-1.697075"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.980749"
                                 y3="-0.789221"
                                 z3="-3.342539"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.682216"
                                 y3="-3.465314"
                                 z3="-5.060679"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.908848"
                                 y3="-7.24651"
                                 z3="-3.89937"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.914301"
                                 y3="-3.010915"
                                 z3="-1.562636"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.773908"
                                 y3="-6.733853"
                                 z3="-0.114151"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.811956"
                                 y3="-5.223519"
                                 z3="-0.567438"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.057099"
                                 y3="-2.508294"
                                 z3="-0.565992"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.188556"
                                 y3="-4.328117"
                                 z3="-2.074326"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.522903"
                                 y3="-7.673482"
                                 z3="-3.138269"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.051203"
                                 y3="-5.850814"
                                 z3="-5.431943"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)34-3(16,17,18)32-7(34,30)33(2(12,13,14)15)4(19,20,21,22)35(7)5(23,24,25,26)36(6)7;;/h8,12-13,16,19-20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.4115,-2.76,-4.3225;-.0118,-3.3915,-3.3838;-.4052,-4.9479,-5.725;-.1137,-2.1365,-5.9012;2.0537,-5.1429,-4.2714;3.2336,-7.5866,-5.066;.7855,-6.4632,-2.2578;.4345,-7.3488,-4.9398;1.972,-8.7865,-2.9004;3.5736,-6.1643,-2.7826;4.745,-4.3318,-4.7795;1.9961,-4.0158,-1.567;3.7536,-10.5869,-2.3314;1.1356,-10.7781,-.8836;1.9765,.05,-4.5303;5.0353,-4.5085,-1.9915;7.4732,-3.3459,-.9348;3.5923,-4.2808,-3.4373;6.0724,-6.1323,.0855;2.5601,-9.7105,-.9016;1.9301,-8.1418,-.199;1.1113,-7.0017,-1.4983;4.1051,-2.4288,-2.6257;3.5806,-10.3726,.4027;6.0475,-3.3723,-4.0894;6.6939,-.7792,-1.6655;1.4417,-1.4354,-2.098;6.6592,-6.8247,-2.6656;.8328,-2.0124,-2.6371;5.247,-1.3098,-4.296;4.5413,-8.0976,-1.2082;3.5479,-10.02,-3.1058;4.5557,-.6783,-4.6086;2.8221,-4.0772,-6.3361;6.6276,-2.7111,-3.6203;4.9291,-2.4046,-.1267;1.9638,-3.821,-6.7264;3.3188,-5.8831,-.0165;3.4335,.4032,-2.1249;5.1783,-6.4483,-1.4017;6.1613,-2.459,-1.6971;2.9807,-.7892,-3.3425;.6822,-3.4653,-5.0607;1.9088,-7.2465,-3.8994;1.9143,-3.0109,-1.5626;2.7739,-6.7339,-.1142;2.812,-5.2235,-.5674;4.0571,-2.5083,-.566;1.1886,-4.3281,-2.0743;6.5229,-7.6735,-3.1383;-.0512,-5.8508,-5.4319;/R:/0/N:20,41,40,42,43,44,18,13,14,21,24,35,36,17,26,28,19,31,27,33,15,39,3,37,2,4,7,6,8,11,9,16,23,10,1,5;12;38/E:(9,10,11)(12,13)(14,15)(17,18)(19,20)(21,22)(23,24)(25,26)(28,29);;/CRV:9.1,10.1,11.1,14.1,15.1,17.1,18.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,33.3,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">16</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">16</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.51813993</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01250756</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00293002</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01250756</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00293002</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.21316792</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06354465</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.434936"
                                 y3="-2.765837"
                                 z3="-4.348824"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.011144"
                                 y3="-3.352421"
                                 z3="-3.426608"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.39943"
                                 y3="-4.954729"
                                 z3="-5.727033"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.022131"
                                 y3="-2.148098"
                                 z3="-5.984272"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.077465"
                                 y3="-5.139964"
                                 z3="-4.30549"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.240577"
                                 y3="-7.610123"
                                 z3="-5.049332"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.826769"
                                 y3="-6.397178"
                                 z3="-2.27825"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.451724"
                                 y3="-7.368925"
                                 z3="-4.9545"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.943148"
                                 y3="-8.782524"
                                 z3="-2.874499"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.581985"
                                 y3="-6.144418"
                                 z3="-2.816009"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.756285"
                                 y3="-4.28871"
                                 z3="-4.798443"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.018166"
                                 y3="-4.049738"
                                 z3="-1.535257"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.681852"
                                 y3="-10.602151"
                                 z3="-2.260572"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.070969"
                                 y3="-10.685456"
                                 z3="-0.791513"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.006917"
                                 y3="0.083667"
                                 z3="-4.533274"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.084073"
                                 y3="-4.522562"
                                 z3="-2.04188"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.461086"
                                 y3="-3.330295"
                                 z3="-0.956642"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.602701"
                                 y3="-4.265471"
                                 z3="-3.462106"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.214213"
                                 y3="-6.189809"
                                 z3="-0.051304"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.522519"
                                 y3="-9.652705"
                                 z3="-0.842806"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.94681"
                                 y3="-8.052721"
                                 z3="-0.179737"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.135177"
                                 y3="-6.915605"
                                 z3="-1.497029"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.040901"
                                 y3="-2.425019"
                                 z3="-2.569231"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.542694"
                                 y3="-10.304107"
                                 z3="0.469222"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.051137"
                                 y3="-3.261075"
                                 z3="-4.073491"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.581757"
                                 y3="-0.757694"
                                 z3="-1.531106"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.37646"
                                 y3="-1.446584"
                                 z3="-2.167626"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.628259"
                                 y3="-6.913683"
                                 z3="-2.830029"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.818307"
                                 y3="-2.079282"
                                 z3="-2.71452"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.268434"
                                 y3="-1.269268"
                                 z3="-4.194403"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.526433"
                                 y3="-8.076451"
                                 z3="-1.253016"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.450006"
                                 y3="-10.083967"
                                 z3="-3.060662"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.561547"
                                 y3="-0.650342"
                                 z3="-4.50376"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.821392"
                                 y3="-4.257467"
                                 z3="-6.370178"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.56534"
                                 y3="-2.560444"
                                 z3="-3.596037"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.885075"
                                 y3="-2.515327"
                                 z3="-0.082582"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.013295"
                                 y3="-3.86249"
                                 z3="-6.753077"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.45163"
                                 y3="-5.825991"
                                 z3="-0.010633"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.341042"
                                 y3="0.419567"
                                 z3="-2.062732"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.238487"
                                 y3="-6.464362"
                                 z3="-1.494174"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.105109"
                                 y3="-2.449745"
                                 z3="-1.648093"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.943436"
                                 y3="-0.770762"
                                 z3="-3.301322"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.722298"
                                 y3="-3.480103"
                                 z3="-5.098568"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.915448"
                                 y3="-7.252207"
                                 z3="-3.89807"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.87867"
                                 y3="-3.059004"
                                 z3="-1.548695"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.866267"
                                 y3="-6.645498"
                                 z3="-0.09141"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.940223"
                                 y3="-5.158849"
                                 z3="-0.549501"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.024244"
                                 y3="-2.721462"
                                 z3="-0.505986"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.24171"
                                 y3="-4.471999"
                                 z3="-2.008039"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.390058"
                                 y3="-7.735336"
                                 z3="-3.310289"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.044892"
                                 y3="-5.859889"
                                 z3="-5.450018"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)35-4(20,21,22)32-7(35,30,33-5(23,24,25,26)36(6)7)34(2(12,13,14)15)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.4349,-2.7658,-4.3488;.0111,-3.3524,-3.4266;-.3994,-4.9547,-5.727;-.0221,-2.1481,-5.9843;2.0775,-5.14,-4.3055;3.2406,-7.6101,-5.0493;.8268,-6.3972,-2.2782;.4517,-7.3689,-4.9545;1.9431,-8.7825,-2.8745;3.582,-6.1444,-2.816;4.7563,-4.2887,-4.7984;2.0182,-4.0497,-1.5353;3.6819,-10.6022,-2.2606;1.071,-10.6855,-.7915;2.0069,.0837,-4.5333;5.0841,-4.5226,-2.0419;7.4611,-3.3303,-.9566;3.6027,-4.2655,-3.4621;6.2142,-6.1898,-.0513;2.5225,-9.6527,-.8428;1.9468,-8.0527,-.1797;1.1352,-6.9156,-1.497;4.0409,-2.425,-2.5692;3.5427,-10.3041,.4692;6.0511,-3.2611,-4.0735;6.5818,-.7577,-1.5311;1.3765,-1.4466,-2.1676;6.6283,-6.9137,-2.83;.8183,-2.0793,-2.7145;5.2684,-1.2693,-4.1944;4.5264,-8.0765,-1.253;3.45,-10.084,-3.0607;4.5615,-.6503,-4.5038;2.8214,-4.2575,-6.3702;6.5653,-2.5604,-3.596;4.8851,-2.5153,-.0826;2.0133,-3.8625,-6.7531;3.4516,-5.826,-.0106;3.341,.4196,-2.0627;5.2385,-6.4644,-1.4942;6.1051,-2.4497,-1.6481;2.9434,-.7708,-3.3013;.7223,-3.4801,-5.0986;1.9154,-7.2522,-3.8981;1.8787,-3.059,-1.5487;2.8663,-6.6455,-.0914;2.9402,-5.1588,-.5495;4.0242,-2.7215,-.506;1.2417,-4.472,-2.008;6.3901,-7.7353,-3.3103;-.0449,-5.8599,-5.45;/R:/0/N:20,41,42,40,43,44,18,13,14,21,24,35,36,17,26,27,33,15,39,28,19,31,3,37,2,4,7,6,8,11,9,16,1,23,10,5;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">17</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">17</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.52023472</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01231508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00357427</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01231508</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00357427</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07198598</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02490761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.439451"
                                 y3="-2.766996"
                                 z3="-4.347963"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.012299"
                                 y3="-3.358625"
                                 z3="-3.442773"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.394779"
                                 y3="-4.972934"
                                 z3="-5.729588"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-0.007867"
                                 y3="-2.157639"
                                 z3="-5.997501"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.088523"
                                 y3="-5.139381"
                                 z3="-4.325848"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.243149"
                                 y3="-7.624676"
                                 z3="-5.052519"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.836051"
                                 y3="-6.361541"
                                 z3="-2.293221"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.466019"
                                 y3="-7.38656"
                                 z3="-4.966514"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.942163"
                                 y3="-8.77332"
                                 z3="-2.866487"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.589396"
                                 y3="-6.134875"
                                 z3="-2.825203"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.76759"
                                 y3="-4.275261"
                                 z3="-4.802391"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.034421"
                                 y3="-4.055925"
                                 z3="-1.529695"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.658047"
                                 y3="-10.601451"
                                 z3="-2.235529"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.050226"
                                 y3="-10.646835"
                                 z3="-0.76573"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.012751"
                                 y3="0.099834"
                                 z3="-4.536299"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.107055"
                                 y3="-4.530103"
                                 z3="-2.057079"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.44367"
                                 y3="-3.309101"
                                 z3="-0.923213"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.612417"
                                 y3="-4.25852"
                                 z3="-3.470333"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.279419"
                                 y3="-6.210824"
                                 z3="-0.114889"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.508919"
                                 y3="-9.624553"
                                 z3="-0.82271"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.950077"
                                 y3="-8.014244"
                                 z3="-0.171558"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.141642"
                                 y3="-6.874034"
                                 z3="-1.506387"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.024261"
                                 y3="-2.423778"
                                 z3="-2.561809"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.522459"
                                 y3="-10.275982"
                                 z3="0.494569"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.057866"
                                 y3="-3.236608"
                                 z3="-4.041129"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.519162"
                                 y3="-0.749452"
                                 z3="-1.475183"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.382159"
                                 y3="-1.436307"
                                 z3="-2.174847"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.601707"
                                 y3="-6.950788"
                                 z3="-2.901281"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.802899"
                                 y3="-2.062816"
                                 z3="-2.71295"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.271965"
                                 y3="-1.271828"
                                 z3="-4.184329"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.524981"
                                 y3="-8.07239"
                                 z3="-1.271087"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.421472"
                                 y3="-10.099593"
                                 z3="-3.044657"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.561882"
                                 y3="-0.653421"
                                 z3="-4.492945"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.806392"
                                 y3="-4.311872"
                                 z3="-6.393132"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.549734"
                                 y3="-2.51854"
                                 z3="-3.569147"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.846987"
                                 y3="-2.542986"
                                 z3="-0.062894"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.023765"
                                 y3="-3.861982"
                                 z3="-6.768654"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.513386"
                                 y3="-5.823468"
                                 z3="-0.005891"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.339482"
                                 y3="0.431439"
                                 z3="-2.067742"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.263198"
                                 y3="-6.473516"
                                 z3="-1.534139"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="6.075875"
                                 y3="-2.446866"
                                 z3="-1.617088"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.938247"
                                 y3="-0.764309"
                                 z3="-3.301096"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.732924"
                                 y3="-3.491239"
                                 z3="-5.110622"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.923025"
                                 y3="-7.249163"
                                 z3="-3.904938"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.865729"
                                 y3="-3.069597"
                                 z3="-1.56062"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.906123"
                                 y3="-6.631526"
                                 z3="-0.074546"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="2.999224"
                                 y3="-5.148849"
                                 z3="-0.530802"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.99204"
                                 y3="-2.793448"
                                 z3="-0.47124"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.265473"
                                 y3="-4.53616"
                                 z3="-1.972676"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.31828"
                                 y3="-7.757175"
                                 z3="-3.378984"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.039616"
                                 y3="-5.874825"
                                 z3="-5.450114"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)35-4(20,21,22)32-7(35,30,33-5(23,24,25,26)36(6)7)34(2(12,13,14)15)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.4395,-2.767,-4.348;.0123,-3.3586,-3.4428;-.3948,-4.9729,-5.7296;-.0079,-2.1576,-5.9975;2.0885,-5.1394,-4.3258;3.2431,-7.6247,-5.0525;.8361,-6.3615,-2.2932;.466,-7.3866,-4.9665;1.9422,-8.7733,-2.8665;3.5894,-6.1349,-2.8252;4.7676,-4.2753,-4.8024;2.0344,-4.0559,-1.5297;3.658,-10.6015,-2.2355;1.0502,-10.6468,-.7657;2.0128,.0998,-4.5363;5.1071,-4.5301,-2.0571;7.4437,-3.3091,-.9232;3.6124,-4.2585,-3.4703;6.2794,-6.2108,-.1149;2.5089,-9.6246,-.8227;1.9501,-8.0142,-.1716;1.1416,-6.874,-1.5064;4.0243,-2.4238,-2.5618;3.5225,-10.276,.4946;6.0579,-3.2366,-4.0411;6.5192,-.7495,-1.4752;1.3822,-1.4363,-2.1748;6.6017,-6.9508,-2.9013;.8029,-2.0628,-2.713;5.272,-1.2718,-4.1843;4.525,-8.0724,-1.2711;3.4215,-10.0996,-3.0447;4.5619,-.6534,-4.4929;2.8064,-4.3119,-6.3931;6.5497,-2.5185,-3.5691;4.847,-2.543,-.0629;2.0238,-3.862,-6.7687;3.5134,-5.8235,-.0059;3.3395,.4314,-2.0677;5.2632,-6.4735,-1.5341;6.0759,-2.4469,-1.6171;2.9382,-.7643,-3.3011;.7329,-3.4912,-5.1106;1.923,-7.2492,-3.9049;1.8657,-3.0696,-1.5606;2.9061,-6.6315,-.0745;2.9992,-5.1488,-.5308;3.992,-2.7934,-.4712;1.2655,-4.5362,-1.9727;6.3183,-7.7572,-3.379;-.0396,-5.8748,-5.4501;/R:/0/N:20,41,42,40,43,44,18,13,14,21,24,35,36,17,26,27,33,15,39,28,19,31,3,37,2,4,7,6,8,11,9,16,1,23,10,5;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">18</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">18</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.52167292</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01382306</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00393030</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01382306</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00393030</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.28479964</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08603312</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.46311"
                                 y3="-2.76827"
                                 z3="-4.359474"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.019075"
                                 y3="-3.358815"
                                 z3="-3.502928"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.381656"
                                 y3="-5.014278"
                                 z3="-5.742486"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.045677"
                                 y3="-2.177979"
                                 z3="-6.053073"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.1319"
                                 y3="-5.133663"
                                 z3="-4.413149"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.2433"
                                 y3="-7.687598"
                                 z3="-5.06352"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.863213"
                                 y3="-6.226139"
                                 z3="-2.348558"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.495598"
                                 y3="-7.423603"
                                 z3="-4.984632"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.927924"
                                 y3="-8.721135"
                                 z3="-2.828991"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.613203"
                                 y3="-6.107686"
                                 z3="-2.868624"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.826068"
                                 y3="-4.228551"
                                 z3="-4.825971"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.092864"
                                 y3="-4.141905"
                                 z3="-1.52302"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.573851"
                                 y3="-10.571619"
                                 z3="-2.130114"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="0.973613"
                                 y3="-10.483909"
                                 z3="-0.660709"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.015334"
                                 y3="0.139732"
                                 z3="-4.511216"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.187721"
                                 y3="-4.546128"
                                 z3="-2.122544"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.399211"
                                 y3="-3.266755"
                                 z3="-0.832483"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.652443"
                                 y3="-4.238311"
                                 z3="-3.516716"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.475632"
                                 y3="-6.268614"
                                 z3="-0.333854"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.460457"
                                 y3="-9.507196"
                                 z3="-0.738593"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.952458"
                                 y3="-7.860373"
                                 z3="-0.146103"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.164093"
                                 y3="-6.71486"
                                 z3="-1.543086"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="3.974892"
                                 y3="-2.44012"
                                 z3="-2.531462"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.449759"
                                 y3="-10.148346"
                                 z3="0.600037"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.098925"
                                 y3="-3.158396"
                                 z3="-3.947401"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.333414"
                                 y3="-0.749225"
                                 z3="-1.288086"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.365729"
                                 y3="-1.456044"
                                 z3="-2.212821"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.516777"
                                 y3="-7.056134"
                                 z3="-3.11679"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.768095"
                                 y3="-2.082709"
                                 z3="-2.744995"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.271423"
                                 y3="-1.26373"
                                 z3="-4.099274"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.524156"
                                 y3="-8.046117"
                                 z3="-1.324754"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.3433"
                                 y3="-10.103268"
                                 z3="-2.961507"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.557661"
                                 y3="-0.639989"
                                 z3="-4.408296"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.705484"
                                 y3="-4.504675"
                                 z3="-6.512399"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.513303"
                                 y3="-2.392174"
                                 z3="-3.478873"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.743307"
                                 y3="-2.664038"
                                 z3="0.002187"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.039339"
                                 y3="-3.869045"
                                 z3="-6.841098"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.706142"
                                 y3="-5.796414"
                                 z3="-0.012528"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.296627"
                                 y3="0.441411"
                                 z3="-2.026597"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.336988"
                                 y3="-6.496341"
                                 z3="-1.669432"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.994513"
                                 y3="-2.45548"
                                 z3="-1.520012"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.906201"
                                 y3="-0.754808"
                                 z3="-3.265692"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.770498"
                                 y3="-3.514333"
                                 z3="-5.154455"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.94356"
                                 y3="-7.235798"
                                 z3="-3.926666"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.807389"
                                 y3="-3.192987"
                                 z3="-1.60363"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.03677"
                                 y3="-6.557628"
                                 z3="-0.035845"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.195991"
                                 y3="-5.087784"
                                 z3="-0.490488"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.911807"
                                 y3="-3.02056"
                                 z3="-0.366167"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.419231"
                                 y3="-4.82096"
                                 z3="-1.897566"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.096378"
                                 y3="-7.795561"
                                 z3="-3.593266"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.031027"
                                 y3="-5.905702"
                                 z3="-5.44569"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)35-4(20,21,22)32-7(35,30,33-5(23,24,25,26)36(6)7)34(2(12,13,14)15)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.4631,-2.7683,-4.3595;.0191,-3.3588,-3.5029;-.3817,-5.0143,-5.7425;.0457,-2.178,-6.0531;2.1319,-5.1337,-4.4131;3.2433,-7.6876,-5.0635;.8632,-6.2261,-2.3486;.4956,-7.4236,-4.9846;1.9279,-8.7211,-2.829;3.6132,-6.1077,-2.8686;4.8261,-4.2286,-4.826;2.0929,-4.1419,-1.523;3.5739,-10.5716,-2.1301;.9736,-10.4839,-.6607;2.0153,.1397,-4.5112;5.1877,-4.5461,-2.1225;7.3992,-3.2668,-.8325;3.6524,-4.2383,-3.5167;6.4756,-6.2686,-.3339;2.4605,-9.5072,-.7386;1.9525,-7.8604,-.1461;1.1641,-6.7149,-1.5431;3.9749,-2.4401,-2.5315;3.4498,-10.1483,.6;6.0989,-3.1584,-3.9474;6.3334,-.7492,-1.2881;1.3657,-1.456,-2.2128;6.5168,-7.0561,-3.1168;.7681,-2.0827,-2.745;5.2714,-1.2637,-4.0993;4.5242,-8.0461,-1.3248;3.3433,-10.1033,-2.9615;4.5577,-.64,-4.4083;2.7055,-4.5047,-6.5124;6.5133,-2.3922,-3.4789;4.7433,-2.664,.0022;2.0393,-3.869,-6.8411;3.7061,-5.7964,-.0125;3.2966,.4414,-2.0266;5.337,-6.4963,-1.6694;5.9945,-2.4555,-1.52;2.9062,-.7548,-3.2657;.7705,-3.5143,-5.1545;1.9436,-7.2358,-3.9267;1.8074,-3.193,-1.6036;3.0368,-6.5576,-.0358;3.196,-5.0878,-.4905;3.9118,-3.0206,-.3662;1.4192,-4.821,-1.8976;6.0964,-7.7956,-3.5933;-.031,-5.9057,-5.4457;/R:/0/N:20,41,42,40,43,44,18,13,14,21,24,35,36,17,26,27,33,15,39,28,19,31,3,37,2,4,7,6,8,11,9,16,1,23,10,5;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">19</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">19</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.52369362</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02232417</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00710195</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02232417</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00710195</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09851808</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03169025</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.458343"
                                 y3="-2.758003"
                                 z3="-4.350287"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.013249"
                                 y3="-3.344183"
                                 z3="-3.505631"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.387441"
                                 y3="-5.017314"
                                 z3="-5.746186"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.004359"
                                 y3="-2.17324"
                                 z3="-6.032858"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.120386"
                                 y3="-5.126465"
                                 z3="-4.407726"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.204247"
                                 y3="-7.685323"
                                 z3="-5.087416"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.85414"
                                 y3="-6.260978"
                                 z3="-2.278109"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.46275"
                                 y3="-7.40515"
                                 z3="-4.935121"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.955229"
                                 y3="-8.693129"
                                 z3="-2.819019"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.618266"
                                 y3="-6.106222"
                                 z3="-2.85875"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.840564"
                                 y3="-4.233098"
                                 z3="-4.809942"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.097219"
                                 y3="-4.125029"
                                 z3="-1.553497"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.599253"
                                 y3="-10.559073"
                                 z3="-2.175758"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.011972"
                                 y3="-10.50672"
                                 z3="-0.687481"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.985995"
                                 y3="0.121908"
                                 z3="-4.531649"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.178495"
                                 y3="-4.537223"
                                 z3="-2.097149"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.370853"
                                 y3="-3.255644"
                                 z3="-0.733965"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.65985"
                                 y3="-4.230402"
                                 z3="-3.505293"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.465063"
                                 y3="-6.254421"
                                 z3="-0.32669"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.490633"
                                 y3="-9.520312"
                                 z3="-0.757522"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.960376"
                                 y3="-7.88499"
                                 z3="-0.136157"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.153904"
                                 y3="-6.813078"
                                 z3="-1.513855"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.018825"
                                 y3="-2.434353"
                                 z3="-2.564071"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.483025"
                                 y3="-10.179742"
                                 z3="0.568049"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.131282"
                                 y3="-3.222479"
                                 z3="-3.898814"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.341793"
                                 y3="-0.746452"
                                 z3="-1.30552"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.409375"
                                 y3="-1.446891"
                                 z3="-2.188124"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.505631"
                                 y3="-7.031513"
                                 z3="-3.107691"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.767163"
                                 y3="-2.019965"
                                 z3="-2.716921"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.263464"
                                 y3="-1.287664"
                                 z3="-4.153746"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.546319"
                                 y3="-8.065083"
                                 z3="-1.320928"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.384068"
                                 y3="-10.056367"
                                 z3="-2.991212"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.563995"
                                 y3="-0.658516"
                                 z3="-4.481973"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.696884"
                                 y3="-4.467828"
                                 z3="-6.488715"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.581934"
                                 y3="-2.468588"
                                 z3="-3.439603"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.704383"
                                 y3="-2.606055"
                                 z3="0.008151"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.013127"
                                 y3="-3.86556"
                                 z3="-6.843058"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.674324"
                                 y3="-5.840132"
                                 z3="-0.01899"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.364238"
                                 y3="0.447425"
                                 z3="-2.095384"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.323763"
                                 y3="-6.495119"
                                 z3="-1.658896"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.998123"
                                 y3="-2.456206"
                                 z3="-1.496753"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.9306"
                                 y3="-0.756017"
                                 z3="-3.313887"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.754794"
                                 y3="-3.507142"
                                 z3="-5.154802"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.936582"
                                 y3="-7.211312"
                                 z3="-3.918503"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.803209"
                                 y3="-3.174783"
                                 z3="-1.649856"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.012276"
                                 y3="-6.61861"
                                 z3="-0.033496"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.161265"
                                 y3="-5.135776"
                                 z3="-0.496484"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.857808"
                                 y3="-2.925619"
                                 z3="-0.360275"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.407011"
                                 y3="-4.798023"
                                 z3="-1.96165"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.084965"
                                 y3="-7.777715"
                                 z3="-3.572992"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.046211"
                                 y3="-5.900434"
                                 z3="-5.417199"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)34-3(16,17,18)32-7(34,30)33(2(12,13,14)15)4(19,20,21,22)35(7)5(23,24,25,26)36(6)7;;/h8,12-13,16,19-20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.4583,-2.758,-4.3503;.0132,-3.3442,-3.5056;-.3874,-5.0173,-5.7462;.0044,-2.1732,-6.0329;2.1204,-5.1265,-4.4077;3.2042,-7.6853,-5.0874;.8541,-6.261,-2.2781;.4627,-7.4051,-4.9351;1.9552,-8.6931,-2.819;3.6183,-6.1062,-2.8588;4.8406,-4.2331,-4.8099;2.0972,-4.125,-1.5535;3.5993,-10.5591,-2.1758;1.012,-10.5067,-.6875;1.986,.1219,-4.5316;5.1785,-4.5372,-2.0971;7.3709,-3.2556,-.734;3.6599,-4.2304,-3.5053;6.4651,-6.2544,-.3267;2.4906,-9.5203,-.7575;1.9604,-7.885,-.1362;1.1539,-6.8131,-1.5139;4.0188,-2.4344,-2.5641;3.483,-10.1797,.568;6.1313,-3.2225,-3.8988;6.3418,-.7465,-1.3055;1.4094,-1.4469,-2.1881;6.5056,-7.0315,-3.1077;.7672,-2.02,-2.7169;5.2635,-1.2877,-4.1537;4.5463,-8.0651,-1.3209;3.3841,-10.0564,-2.9912;4.564,-.6585,-4.482;2.6969,-4.4678,-6.4887;6.5819,-2.4686,-3.4396;4.7044,-2.6061,.0082;2.0131,-3.8656,-6.8431;3.6743,-5.8401,-.019;3.3642,.4474,-2.0954;5.3238,-6.4951,-1.6589;5.9981,-2.4562,-1.4968;2.9306,-.756,-3.3139;.7548,-3.5071,-5.1548;1.9366,-7.2113,-3.9185;1.8032,-3.1748,-1.6499;3.0123,-6.6186,-.0335;3.1613,-5.1358,-.4965;3.8578,-2.9256,-.3603;1.407,-4.798,-1.9616;6.085,-7.7777,-3.573;-.0462,-5.9004,-5.4172;/R:/0/N:20,41,40,42,43,44,18,13,14,21,24,35,36,17,26,28,19,31,27,33,15,39,3,37,2,4,7,6,8,11,9,16,23,10,1,5;12;38/E:(9,10,11)(12,13)(14,15)(17,18)(19,20)(21,22)(23,24)(25,26)(28,29);;/CRV:9.1,10.1,11.1,14.1,15.1,17.1,18.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,33.3,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">20</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">20</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.52666618</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02040477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00604099</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02040477</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00604099</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17075159</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05887946</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.476978"
                                 y3="-2.758095"
                                 z3="-4.383762"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.005131"
                                 y3="-3.315514"
                                 z3="-3.572658"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.373796"
                                 y3="-4.992274"
                                 z3="-5.79139"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.102897"
                                 y3="-2.171401"
                                 z3="-6.128377"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.138021"
                                 y3="-5.124102"
                                 z3="-4.450475"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.222756"
                                 y3="-7.704093"
                                 z3="-5.064631"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.899154"
                                 y3="-6.171567"
                                 z3="-2.307144"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.458239"
                                 y3="-7.407204"
                                 z3="-4.914563"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.928477"
                                 y3="-8.671142"
                                 z3="-2.782791"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.618075"
                                 y3="-6.096482"
                                 z3="-2.899432"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.852991"
                                 y3="-4.201606"
                                 z3="-4.839599"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.105264"
                                 y3="-4.208603"
                                 z3="-1.534707"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.53332"
                                 y3="-10.555789"
                                 z3="-2.089095"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="0.958734"
                                 y3="-10.409359"
                                 z3="-0.58474"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.006893"
                                 y3="0.130691"
                                 z3="-4.491072"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.215262"
                                 y3="-4.542001"
                                 z3="-2.155201"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.381101"
                                 y3="-3.267905"
                                 z3="-0.77402"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.663294"
                                 y3="-4.220878"
                                 z3="-3.54477"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.541355"
                                 y3="-6.29486"
                                 z3="-0.446279"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.461533"
                                 y3="-9.461781"
                                 z3="-0.688125"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.970009"
                                 y3="-7.801552"
                                 z3="-0.120726"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.199758"
                                 y3="-6.683183"
                                 z3="-1.51438"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="3.977782"
                                 y3="-2.466012"
                                 z3="-2.51813"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.455396"
                                 y3="-10.09245"
                                 z3="0.649666"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.142297"
                                 y3="-3.118278"
                                 z3="-3.912285"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.27535"
                                 y3="-0.762686"
                                 z3="-1.210393"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.340674"
                                 y3="-1.498523"
                                 z3="-2.223006"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.479047"
                                 y3="-7.080356"
                                 z3="-3.220264"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.77058"
                                 y3="-2.133669"
                                 z3="-2.770832"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.257315"
                                 y3="-1.258022"
                                 z3="-4.030369"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.535119"
                                 y3="-8.042458"
                                 z3="-1.350237"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.323022"
                                 y3="-10.068085"
                                 z3="-2.914881"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.55462"
                                 y3="-0.635013"
                                 z3="-4.359754"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.664904"
                                 y3="-4.596873"
                                 z3="-6.543355"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.537596"
                                 y3="-2.357452"
                                 z3="-3.420264"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.690578"
                                 y3="-2.731188"
                                 z3="0.022212"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.068946"
                                 y3="-3.89487"
                                 z3="-6.87352"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.765621"
                                 y3="-5.783523"
                                 z3="-0.040773"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.26366"
                                 y3="0.422127"
                                 z3="-1.979516"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.351943"
                                 y3="-6.505236"
                                 z3="-1.737165"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.972991"
                                 y3="-2.473102"
                                 z3="-1.470804"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.888797"
                                 y3="-0.757589"
                                 z3="-3.237134"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.792322"
                                 y3="-3.503912"
                                 z3="-5.1961"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.944146"
                                 y3="-7.221011"
                                 z3="-3.913887"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.765721"
                                 y3="-3.289404"
                                 z3="-1.632294"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.085962"
                                 y3="-6.528603"
                                 z3="-0.042276"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.257615"
                                 y3="-5.064631"
                                 z3="-0.50886"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.861539"
                                 y3="-3.074301"
                                 z3="-0.369972"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.452084"
                                 y3="-4.968774"
                                 z3="-1.873554"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.998469"
                                 y3="-7.779727"
                                 z3="-3.704471"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.047822"
                                 y3="-5.882288"
                                 z3="-5.463254"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)35-3(16,17,18)34-5(23,24,25,26)33(2(12,13,14)15)7(34,35,30)32-4(19,20,21,22)36(6)7;;/h8,12-13,16,19-20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1OO3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.477,-2.7581,-4.3838;.0051,-3.3155,-3.5727;-.3738,-4.9923,-5.7914;.1029,-2.1714,-6.1284;2.138,-5.1241,-4.4505;3.2228,-7.7041,-5.0646;.8992,-6.1716,-2.3071;.4582,-7.4072,-4.9146;1.9285,-8.6711,-2.7828;3.6181,-6.0965,-2.8994;4.853,-4.2016,-4.8396;2.1053,-4.2086,-1.5347;3.5333,-10.5558,-2.0891;.9587,-10.4094,-.5847;2.0069,.1307,-4.4911;5.2153,-4.542,-2.1552;7.3811,-3.2679,-.774;3.6633,-4.2209,-3.5448;6.5414,-6.2949,-.4463;2.4615,-9.4618,-.6881;1.97,-7.8016,-.1207;1.1998,-6.6832,-1.5144;3.9778,-2.466,-2.5181;3.4554,-10.0924,.6497;6.1423,-3.1183,-3.9123;6.2754,-.7627,-1.2104;1.3407,-1.4985,-2.223;6.479,-7.0804,-3.2203;.7706,-2.1337,-2.7708;5.2573,-1.258,-4.0304;4.5351,-8.0425,-1.3502;3.323,-10.0681,-2.9149;4.5546,-.635,-4.3598;2.6649,-4.5969,-6.5434;6.5376,-2.3575,-3.4203;4.6906,-2.7312,.0222;2.0689,-3.8949,-6.8735;3.7656,-5.7835,-.0408;3.2637,.4221,-1.9795;5.3519,-6.5052,-1.7372;5.973,-2.4731,-1.4708;2.8888,-.7576,-3.2371;.7923,-3.5039,-5.1961;1.9441,-7.221,-3.9139;1.7657,-3.2894,-1.6323;3.086,-6.5286,-.0423;3.2576,-5.0646,-.5089;3.8615,-3.0743,-.37;1.4521,-4.9688,-1.8736;5.9985,-7.7797,-3.7045;-.0478,-5.8823,-5.4633;/R:/0/N:20,42,40,43,41,44,18,13,14,21,24,27,33,15,39,28,19,31,3,37,2,4,35,36,17,26,7,6,8,11,9,1,23,16,10,5;12;38/E:(9,10,11)(12,13)(14,15)(17,18)(19,20)(21,22)(23,24)(25,26)(28,29);;/CRV:9.1,10.1,11.1,14.1,15.1,17.1,18.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,33.3,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">21</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">21</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.52686043</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03293289</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00672580</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03293289</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00672580</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12505726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03590298</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.468002"
                                 y3="-2.757098"
                                 z3="-4.370566"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.001844"
                                 y3="-3.324579"
                                 z3="-3.529949"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.376948"
                                 y3="-4.986725"
                                 z3="-5.768571"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.063019"
                                 y3="-2.165497"
                                 z3="-6.078417"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.124986"
                                 y3="-5.124398"
                                 z3="-4.415437"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.225636"
                                 y3="-7.687576"
                                 z3="-5.078841"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.843235"
                                 y3="-6.254715"
                                 z3="-2.289938"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.460516"
                                 y3="-7.384246"
                                 z3="-4.920278"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.945925"
                                 y3="-8.678479"
                                 z3="-2.806118"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.618541"
                                 y3="-6.104086"
                                 z3="-2.876626"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.842755"
                                 y3="-4.224541"
                                 z3="-4.824462"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.10928"
                                 y3="-4.16715"
                                 z3="-1.528941"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.557079"
                                 y3="-10.577267"
                                 z3="-2.131966"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="0.977575"
                                 y3="-10.466776"
                                 z3="-0.635315"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.998748"
                                 y3="0.107476"
                                 z3="-4.515179"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.196881"
                                 y3="-4.532932"
                                 z3="-2.124201"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.391755"
                                 y3="-3.248759"
                                 z3="-0.771364"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.659822"
                                 y3="-4.224399"
                                 z3="-3.521031"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.48287"
                                 y3="-6.270334"
                                 z3="-0.366456"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.473203"
                                 y3="-9.507489"
                                 z3="-0.726663"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.961794"
                                 y3="-7.857194"
                                 z3="-0.142439"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.143449"
                                 y3="-6.792028"
                                 z3="-1.514331"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.008576"
                                 y3="-2.454132"
                                 z3="-2.548046"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.468476"
                                 y3="-10.140297"
                                 z3="0.608265"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.142183"
                                 y3="-3.162569"
                                 z3="-3.930937"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.332392"
                                 y3="-0.739523"
                                 z3="-1.2958"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.36704"
                                 y3="-1.482018"
                                 z3="-2.198573"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.506414"
                                 y3="-7.045438"
                                 z3="-3.145792"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.79063"
                                 y3="-2.101711"
                                 z3="-2.748244"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.258914"
                                 y3="-1.263641"
                                 z3="-4.067804"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.542166"
                                 y3="-8.060711"
                                 z3="-1.328434"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.361898"
                                 y3="-10.066387"
                                 z3="-2.947185"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.560851"
                                 y3="-0.648477"
                                 z3="-4.413423"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.690841"
                                 y3="-4.528419"
                                 z3="-6.492157"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.574586"
                                 y3="-2.418363"
                                 z3="-3.442771"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.708756"
                                 y3="-2.655116"
                                 z3="-0.002684"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.046063"
                                 y3="-3.882573"
                                 z3="-6.843674"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.689731"
                                 y3="-5.807245"
                                 z3="-0.042364"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.301599"
                                 y3="0.428915"
                                 z3="-2.026506"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.326951"
                                 y3="-6.498621"
                                 z3="-1.682915"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.999916"
                                 y3="-2.454093"
                                 z3="-1.498262"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.906616"
                                 y3="-0.759265"
                                 z3="-3.268449"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.774717"
                                 y3="-3.496694"
                                 z3="-5.161774"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.948694"
                                 y3="-7.217548"
                                 z3="-3.917903"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.790065"
                                 y3="-3.238776"
                                 z3="-1.626696"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.031664"
                                 y3="-6.572849"
                                 z3="-0.059408"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.180628"
                                 y3="-5.099663"
                                 z3="-0.527092"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.866235"
                                 y3="-2.949244"
                                 z3="-0.40791"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.429632"
                                 y3="-4.890913"
                                 z3="-1.893079"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="6.063375"
                                 y3="-7.764543"
                                 z3="-3.640131"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.047852"
                                 y3="-5.875907"
                                 z3="-5.436572"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)35-4(20,21,22)32-7(35,30,33-5(23,24,25,26)36(6)7)34(2(12,13,14)15)3(16,17,18)19;;/h8,12-13,16-17,20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1OO3O1OOO1O1OO1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.468,-2.7571,-4.3706;.0018,-3.3246,-3.5299;-.3769,-4.9867,-5.7686;.063,-2.1655,-6.0784;2.125,-5.1244,-4.4154;3.2256,-7.6876,-5.0788;.8432,-6.2547,-2.2899;.4605,-7.3842,-4.9203;1.9459,-8.6785,-2.8061;3.6185,-6.1041,-2.8766;4.8428,-4.2245,-4.8245;2.1093,-4.1672,-1.5289;3.5571,-10.5773,-2.132;.9776,-10.4668,-.6353;1.9987,.1075,-4.5152;5.1969,-4.5329,-2.1242;7.3918,-3.2488,-.7714;3.6598,-4.2244,-3.521;6.4829,-6.2703,-.3665;2.4732,-9.5075,-.7267;1.9618,-7.8572,-.1424;1.1434,-6.792,-1.5143;4.0086,-2.4541,-2.548;3.4685,-10.1403,.6083;6.1422,-3.1626,-3.9309;6.3324,-.7395,-1.2958;1.367,-1.482,-2.1986;6.5064,-7.0454,-3.1458;.7906,-2.1017,-2.7482;5.2589,-1.2636,-4.0678;4.5422,-8.0607,-1.3284;3.3619,-10.0664,-2.9472;4.5609,-.6485,-4.4134;2.6908,-4.5284,-6.4922;6.5746,-2.4184,-3.4428;4.7088,-2.6551,-.0027;2.0461,-3.8826,-6.8437;3.6897,-5.8072,-.0424;3.3016,.4289,-2.0265;5.327,-6.4986,-1.6829;5.9999,-2.4541,-1.4983;2.9066,-.7593,-3.2684;.7747,-3.4967,-5.1618;1.9487,-7.2175,-3.9179;1.7901,-3.2388,-1.6267;3.0317,-6.5728,-.0594;3.1806,-5.0997,-.5271;3.8662,-2.9492,-.4079;1.4296,-4.8909,-1.8931;6.0634,-7.7645,-3.6401;-.0479,-5.8759,-5.4366;/R:/0/N:20,41,42,40,43,44,18,13,14,21,24,35,36,17,26,27,33,15,39,28,19,31,3,37,2,4,7,6,8,11,9,16,1,23,10,5;12;38/E:(2,3)(9,10,11)(12,13,16,17)(14,15,18,19)(21,22)(23,24)(25,26)(28,29);;/CRV:9.1,10.1,11.1,14.1,15.1,18.1,19.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">22</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">22</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.53035929</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01331529</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00401017</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01331529</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00401017</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09936065</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02735612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.47142"
                                 y3="-2.749336"
                                 z3="-4.377695"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.011044"
                                 y3="-3.296652"
                                 z3="-3.56055"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.367167"
                                 y3="-4.974608"
                                 z3="-5.797893"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.080859"
                                 y3="-2.160685"
                                 z3="-6.114539"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.117172"
                                 y3="-5.117549"
                                 z3="-4.417827"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.195105"
                                 y3="-7.685243"
                                 z3="-5.095513"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.854191"
                                 y3="-6.232135"
                                 z3="-2.231551"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.42127"
                                 y3="-7.343075"
                                 z3="-4.858247"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.957206"
                                 y3="-8.63263"
                                 z3="-2.780395"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.624436"
                                 y3="-6.102213"
                                 z3="-2.879913"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.857951"
                                 y3="-4.220489"
                                 z3="-4.809184"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.119934"
                                 y3="-4.182531"
                                 z3="-1.544548"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.536469"
                                 y3="-10.589526"
                                 z3="-2.137221"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="0.986158"
                                 y3="-10.445701"
                                 z3="-0.60715"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.968332"
                                 y3="0.087139"
                                 z3="-4.523784"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.19967"
                                 y3="-4.52625"
                                 z3="-2.11586"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.34842"
                                 y3="-3.229072"
                                 z3="-0.672004"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.665352"
                                 y3="-4.212391"
                                 z3="-3.514981"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.517759"
                                 y3="-6.285095"
                                 z3="-0.423344"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.490054"
                                 y3="-9.503422"
                                 z3="-0.718954"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.992526"
                                 y3="-7.850322"
                                 z3="-0.121748"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.151063"
                                 y3="-6.809305"
                                 z3="-1.482886"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.030087"
                                 y3="-2.459394"
                                 z3="-2.570742"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.495169"
                                 y3="-10.144626"
                                 z3="0.60271"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.182112"
                                 y3="-3.197927"
                                 z3="-3.880758"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.305858"
                                 y3="-0.736502"
                                 z3="-1.289952"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.377185"
                                 y3="-1.48857"
                                 z3="-2.184078"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.476359"
                                 y3="-7.04076"
                                 z3="-3.2031"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.792129"
                                 y3="-2.08112"
                                 z3="-2.748071"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.254739"
                                 y3="-1.248411"
                                 z3="-4.069301"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.564016"
                                 y3="-8.08256"
                                 z3="-1.340476"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.370994"
                                 y3="-10.048347"
                                 z3="-2.938954"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.560283"
                                 y3="-0.647346"
                                 z3="-4.44089"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.685087"
                                 y3="-4.547276"
                                 z3="-6.47599"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.6239"
                                 y3="-2.464899"
                                 z3="-3.385038"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.64238"
                                 y3="-2.647108"
                                 z3="0.001062"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.060279"
                                 y3="-3.895334"
                                 z3="-6.851193"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.719078"
                                 y3="-5.841093"
                                 z3="-0.040728"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.313133"
                                 y3="0.425152"
                                 z3="-2.055528"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.324899"
                                 y3="-6.509507"
                                 z3="-1.705595"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.977915"
                                 y3="-2.457108"
                                 z3="-1.460113"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.906391"
                                 y3="-0.762194"
                                 z3="-3.292666"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.779665"
                                 y3="-3.48633"
                                 z3="-5.180424"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.946463"
                                 y3="-7.192596"
                                 z3="-3.912064"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.75846"
                                 y3="-3.2687"
                                 z3="-1.665791"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.061144"
                                 y3="-6.612838"
                                 z3="-0.049723"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.205564"
                                 y3="-5.127078"
                                 z3="-0.513466"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.799838"
                                 y3="-2.897472"
                                 z3="-0.434502"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.46948"
                                 y3="-4.96281"
                                 z3="-1.924458"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.993098"
                                 y3="-7.732902"
                                 z3="-3.701713"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.061121"
                                 y3="-5.857866"
                                 z3="-5.426078"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH9Mo7O29.2H2O/c8-1(9,10,11)31-6(27,28,29)33-2(12,13,14)32-3(15,16,17,18)34-4(19,20,21,22)35-5(23,24,25,26)36(6)7(32,33,34,35)30;;/h8,12,15-16,19-20,23-24,27H;2*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;20;40;44;41;42;43;12;38;3;7;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1OO3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s12;s28;s3;/rC:2.4714,-2.7493,-4.3777;-.011,-3.2967,-3.5606;-.3672,-4.9746,-5.7979;.0809,-2.1607,-6.1145;2.1172,-5.1175,-4.4178;3.1951,-7.6852,-5.0955;.8542,-6.2321,-2.2316;.4213,-7.3431,-4.8582;1.9572,-8.6326,-2.7804;3.6244,-6.1022,-2.8799;4.858,-4.2205,-4.8092;2.1199,-4.1825,-1.5445;3.5365,-10.5895,-2.1372;.9862,-10.4457,-.6071;1.9683,.0871,-4.5238;5.1997,-4.5263,-2.1159;7.3484,-3.2291,-.672;3.6654,-4.2124,-3.515;6.5178,-6.2851,-.4233;2.4901,-9.5034,-.719;1.9925,-7.8503,-.1217;1.1511,-6.8093,-1.4829;4.0301,-2.4594,-2.5707;3.4952,-10.1446,.6027;6.1821,-3.1979,-3.8808;6.3059,-.7365,-1.29;1.3772,-1.4886,-2.1841;6.4764,-7.0408,-3.2031;.7921,-2.0811,-2.7481;5.2547,-1.2484,-4.0693;4.564,-8.0826,-1.3405;3.371,-10.0483,-2.939;4.5603,-.6473,-4.4409;2.6851,-4.5473,-6.476;6.6239,-2.4649,-3.385;4.6424,-2.6471,.0011;2.0603,-3.8953,-6.8512;3.7191,-5.8411,-.0407;3.3131,.4252,-2.0555;5.3249,-6.5095,-1.7056;5.9779,-2.4571,-1.4601;2.9064,-.7622,-3.2927;.7797,-3.4863,-5.1804;1.9465,-7.1926,-3.9121;1.7585,-3.2687,-1.6658;3.0611,-6.6128,-.0497;3.2056,-5.1271,-.5135;3.7998,-2.8975,-.4345;1.4695,-4.9628,-1.9245;5.9931,-7.7329,-3.7017;-.0611,-5.8579,-5.4261;/R:/0/N:20,40,41,42,43,44,18,13,14,21,24,28,19,31,35,36,17,26,27,33,15,39,3,37,2,4,7,6,8,11,9,16,10,23,1,5;12;38/E:(9,10,11)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(28,29);;/CRV:9.1,10.1,11.1,13.1,14.1,17.1,18.1,21.1,22.1,25.1,26.1,28.1,29.1,30.1,32.3,33.3,34.3,35.3,36.3;;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">23</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">23</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.53355458</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01238024</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00315917</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01238024</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00315917</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10486805</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03151776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.477253"
                                 y3="-2.740351"
                                 z3="-4.39279"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.030109"
                                 y3="-3.245037"
                                 z3="-3.612842"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.352631"
                                 y3="-4.958856"
                                 z3="-5.827456"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.120247"
                                 y3="-2.159739"
                                 z3="-6.177954"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.108266"
                                 y3="-5.110064"
                                 z3="-4.423104"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.161967"
                                 y3="-7.690327"
                                 z3="-5.116218"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.877735"
                                 y3="-6.197823"
                                 z3="-2.173859"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.38325"
                                 y3="-7.30398"
                                 z3="-4.786159"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.969084"
                                 y3="-8.5842"
                                 z3="-2.751336"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.631438"
                                 y3="-6.101901"
                                 z3="-2.890294"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.867563"
                                 y3="-4.217264"
                                 z3="-4.801537"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.135697"
                                 y3="-4.208511"
                                 z3="-1.547089"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.503165"
                                 y3="-10.592655"
                                 z3="-2.142503"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="0.9939"
                                 y3="-10.414701"
                                 z3="-0.573229"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.946889"
                                 y3="0.072546"
                                 z3="-4.528685"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.201972"
                                 y3="-4.519584"
                                 z3="-2.116817"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.292502"
                                 y3="-3.216732"
                                 z3="-0.567136"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.668206"
                                 y3="-4.199051"
                                 z3="-3.514883"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.561539"
                                 y3="-6.30207"
                                 z3="-0.498785"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.508729"
                                 y3="-9.493407"
                                 z3="-0.703626"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.025836"
                                 y3="-7.833283"
                                 z3="-0.10507"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.18423"
                                 y3="-6.797235"
                                 z3="-1.446741"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.04724"
                                 y3="-2.467825"
                                 z3="-2.589457"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.518135"
                                 y3="-10.143131"
                                 z3="0.609522"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.23019"
                                 y3="-3.216415"
                                 z3="-3.831326"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.270782"
                                 y3="-0.7404"
                                 z3="-1.272726"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.380333"
                                 y3="-1.504721"
                                 z3="-2.174177"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.44279"
                                 y3="-7.032978"
                                 z3="-3.27339"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.799426"
                                 y3="-2.088319"
                                 z3="-2.74859"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.247185"
                                 y3="-1.246078"
                                 z3="-4.065481"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.589223"
                                 y3="-8.102756"
                                 z3="-1.355095"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.367003"
                                 y3="-10.025522"
                                 z3="-2.931521"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.561113"
                                 y3="-0.651977"
                                 z3="-4.458636"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.682687"
                                 y3="-4.587261"
                                 z3="-6.45318"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.668594"
                                 y3="-2.494485"
                                 z3="-3.318563"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.564527"
                                 y3="-2.666044"
                                 z3="-0.000705"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.088516"
                                 y3="-3.925042"
                                 z3="-6.859284"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.757164"
                                 y3="-5.86207"
                                 z3="-0.046735"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.313014"
                                 y3="0.4176"
                                 z3="-2.069298"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.324296"
                                 y3="-6.520852"
                                 z3="-1.737269"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.948853"
                                 y3="-2.466266"
                                 z3="-1.418739"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.90337"
                                 y3="-0.764416"
                                 z3="-3.308614"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.791333"
                                 y3="-3.472215"
                                 z3="-5.206637"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.949344"
                                 y3="-7.170016"
                                 z3="-3.908237"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.729342"
                                 y3="-3.319831"
                                 z3="-1.69525"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.099289"
                                 y3="-6.639831"
                                 z3="-0.051505"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.243892"
                                 y3="-5.139595"
                                 z3="-0.509009"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.729943"
                                 y3="-2.859478"
                                 z3="-0.482316"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.466888"
                                 y3="-5.05579"
                                 z3="-1.867736"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.910664"
                                 y3="-7.680749"
                                 z3="-3.785589"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.070143"
                                 y3="-5.833922"
                                 z3="-5.415754"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH11Mo7O30.H2O/c8-1(9,10,11)31-6(27,28,32-38-30)34-2(12,13,14)33-3(15,16,17,18)35-4(19,20,21,22)36-5(23,24,25,26)37(6)7(33,34,35,36)29;/h8,12,15-16,19-20,23-24,30,32H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1O3O1OO3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s9s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.4773,-2.7404,-4.3928;-.0301,-3.245,-3.6128;-.3526,-4.9589,-5.8275;.1202,-2.1597,-6.178;2.1083,-5.1101,-4.4231;3.162,-7.6903,-5.1162;.8777,-6.1978,-2.1739;.3832,-7.304,-4.7862;1.9691,-8.5842,-2.7513;3.6314,-6.1019,-2.8903;4.8676,-4.2173,-4.8015;2.1357,-4.2085,-1.5471;3.5032,-10.5927,-2.1425;.9939,-10.4147,-.5732;1.9469,.0725,-4.5287;5.202,-4.5196,-2.1168;7.2925,-3.2167,-.5671;3.6682,-4.1991,-3.5149;6.5615,-6.3021,-.4988;2.5087,-9.4934,-.7036;2.0258,-7.8333,-.1051;1.1842,-6.7972,-1.4467;4.0472,-2.4678,-2.5895;3.5181,-10.1431,.6095;6.2302,-3.2164,-3.8313;6.2708,-.7404,-1.2727;1.3803,-1.5047,-2.1742;6.4428,-7.033,-3.2734;.7994,-2.0883,-2.7486;5.2472,-1.2461,-4.0655;4.5892,-8.1028,-1.3551;3.367,-10.0255,-2.9315;4.5611,-.652,-4.4586;2.6827,-4.5873,-6.4532;6.6686,-2.4945,-3.3186;4.5645,-2.666,-.0007;2.0885,-3.925,-6.8593;3.7572,-5.8621,-.0467;3.313,.4176,-2.0693;5.3243,-6.5209,-1.7373;5.9489,-2.4663,-1.4187;2.9034,-.7644,-3.3086;.7913,-3.4722,-5.2066;1.9493,-7.17,-3.9082;1.7293,-3.3198,-1.6952;3.0993,-6.6398,-.0515;3.2439,-5.1396,-.509;3.7299,-2.8595,-.4823;1.4669,-5.0558,-1.8677;5.9107,-7.6807,-3.7856;-.0701,-5.8339,-5.4158;/R:/0/N:20,40,41,42,43,44,18,13,14,21,24,28,19,31,35,36,17,26,27,33,15,39,3,37,2,4,6,8,11,12,9,7,16,10,23,1,5,49;38/E:(9,10,11)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28);/CRV:9.1,10.1,11.1,13.1,14.1,17.1,18.1,21.1,22.1,25.1,26.1,27.1,28.1,29.1,32.3,33.3,34.3,35.3,36.3,37.3,38.2;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">24</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">24</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.53559124</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01415969</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00354478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01415969</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00354478</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07143552</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02248981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.479152"
                                 y3="-2.733919"
                                 z3="-4.404205"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.0411"
                                 y3="-3.189104"
                                 z3="-3.658475"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.351259"
                                 y3="-4.939551"
                                 z3="-5.843924"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.170326"
                                 y3="-2.157476"
                                 z3="-6.249389"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.096733"
                                 y3="-5.103404"
                                 z3="-4.421388"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.124839"
                                 y3="-7.700253"
                                 z3="-5.12587"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.883245"
                                 y3="-6.179751"
                                 z3="-2.130282"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.359691"
                                 y3="-7.286899"
                                 z3="-4.743419"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.968531"
                                 y3="-8.565392"
                                 z3="-2.731318"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.629665"
                                 y3="-6.101887"
                                 z3="-2.895601"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.859616"
                                 y3="-4.218968"
                                 z3="-4.804605"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.15099"
                                 y3="-4.220538"
                                 z3="-1.541957"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.491645"
                                 y3="-10.586402"
                                 z3="-2.139113"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.00666"
                                 y3="-10.402839"
                                 z3="-0.552849"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.946341"
                                 y3="0.083349"
                                 z3="-4.528967"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.198858"
                                 y3="-4.519132"
                                 z3="-2.124021"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.252973"
                                 y3="-3.221209"
                                 z3="-0.508044"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.663779"
                                 y3="-4.191222"
                                 z3="-3.517224"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.59375"
                                 y3="-6.306818"
                                 z3="-0.55106"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.524934"
                                 y3="-9.487913"
                                 z3="-0.687497"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.051595"
                                 y3="-7.822474"
                                 z3="-0.090786"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.203628"
                                 y3="-6.780449"
                                 z3="-1.410658"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.047263"
                                 y3="-2.46848"
                                 z3="-2.592951"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.534017"
                                 y3="-10.143941"
                                 z3="0.623109"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.256151"
                                 y3="-3.220819"
                                 z3="-3.801583"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.238926"
                                 y3="-0.750683"
                                 z3="-1.250278"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.37459"
                                 y3="-1.511111"
                                 z3="-2.179091"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.416735"
                                 y3="-7.025154"
                                 z3="-3.316038"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.807213"
                                 y3="-2.103155"
                                 z3="-2.76195"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.242233"
                                 y3="-1.249274"
                                 z3="-4.059336"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.604994"
                                 y3="-8.109401"
                                 z3="-1.360556"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.361019"
                                 y3="-10.016379"
                                 z3="-2.926685"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.56166"
                                 y3="-0.650492"
                                 z3="-4.454976"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.684198"
                                 y3="-4.628586"
                                 z3="-6.44475"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.678856"
                                 y3="-2.495331"
                                 z3="-3.283496"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.521318"
                                 y3="-2.705338"
                                 z3="-0.002942"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.115688"
                                 y3="-3.956252"
                                 z3="-6.871022"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.791475"
                                 y3="-5.863316"
                                 z3="-0.045196"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.299449"
                                 y3="0.41508"
                                 z3="-2.063927"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.324405"
                                 y3="-6.525707"
                                 z3="-1.756869"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.928242"
                                 y3="-2.478761"
                                 z3="-1.396115"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.896686"
                                 y3="-0.761796"
                                 z3="-3.310235"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.802608"
                                 y3="-3.45624"
                                 z3="-5.235615"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.945073"
                                 y3="-7.15921"
                                 z3="-3.898567"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.714081"
                                 y3="-3.353557"
                                 z3="-1.700707"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.13283"
                                 y3="-6.644167"
                                 z3="-0.052637"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.281367"
                                 y3="-5.131939"
                                 z3="-0.496842"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.69772"
                                 y3="-2.884584"
                                 z3="-0.511292"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.493633"
                                 y3="-5.12251"
                                 z3="-1.850622"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.853648"
                                 y3="-7.631988"
                                 z3="-3.845504"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.078946"
                                 y3="-5.809269"
                                 z3="-5.416084"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a44" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-3(14,15,16,17)31-4(18,19,20,21)32-5(22,23,24,27-33-26)29(1)6(28,30,31,32)25;2-1(3,4)5;/h7,10-11,14-15,18-19,26-27H;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1O3O1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s7s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.4792,-2.7339,-4.4042;-.0411,-3.1891,-3.6585;-.3513,-4.9396,-5.8439;.1703,-2.1575,-6.2494;2.0967,-5.1034,-4.4214;3.1248,-7.7003,-5.1259;.8832,-6.1798,-2.1303;.3597,-7.2869,-4.7434;1.9685,-8.5654,-2.7313;3.6297,-6.1019,-2.8956;4.8596,-4.219,-4.8046;2.151,-4.2205,-1.542;3.4916,-10.5864,-2.1391;1.0067,-10.4028,-.5528;1.9463,.0833,-4.529;5.1989,-4.5191,-2.124;7.253,-3.2212,-.508;3.6638,-4.1912,-3.5172;6.5938,-6.3068,-.5511;2.5249,-9.4879,-.6875;2.0516,-7.8225,-.0908;1.2036,-6.7804,-1.4107;4.0473,-2.4685,-2.593;3.534,-10.1439,.6231;6.2562,-3.2208,-3.8016;6.2389,-.7507,-1.2503;1.3746,-1.5111,-2.1791;6.4167,-7.0252,-3.316;.8072,-2.1032,-2.762;5.2422,-1.2493,-4.0593;4.605,-8.1094,-1.3606;3.361,-10.0164,-2.9267;4.5617,-.6505,-4.455;2.6842,-4.6286,-6.4447;6.6789,-2.4953,-3.2835;4.5213,-2.7053,-.0029;2.1157,-3.9563,-6.871;3.7915,-5.8633,-.0452;3.2994,.4151,-2.0639;5.3244,-6.5257,-1.7569;5.9282,-2.4788,-1.3961;2.8967,-.7618,-3.3102;.8026,-3.4562,-5.2356;1.9451,-7.1592,-3.8986;1.7141,-3.3536,-1.7007;3.1328,-6.6442,-.0526;3.2814,-5.1319,-.4968;3.6977,-2.8846,-.5113;1.4936,-5.1225,-1.8506;5.8536,-7.632,-3.8455;-.0789,-5.8093,-5.4161;/R:/0/N:40,41,42,43,44,18,28,19,31,35,36,17,26,27,33,15,39,3,37,2,4,6,8,9,11,12,7,16,10,23,1,5,49;20,13,14,21,24;38/E:(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23,24);(3,4,5);/CRV:8.1,9.1,12.1,13.1,16.1,17.1,20.1,21.1,22.1,23.1,24.1,25.1,27.3,28.3,29.3,30.3,31.3,32.3,33.2;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">25</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">25</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.53656740</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02328525</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00405397</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02328525</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00405397</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10194763</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02831659</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.47623"
                                 y3="-2.727238"
                                 z3="-4.416496"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.058162"
                                 y3="-3.102747"
                                 z3="-3.718433"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.355607"
                                 y3="-4.915088"
                                 z3="-5.851486"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.235765"
                                 y3="-2.162794"
                                 z3="-6.351337"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.068167"
                                 y3="-5.095522"
                                 z3="-4.392967"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.066879"
                                 y3="-7.693298"
                                 z3="-5.136851"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.902527"
                                 y3="-6.1695"
                                 z3="-2.051606"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.320688"
                                 y3="-7.262301"
                                 z3="-4.686898"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.962586"
                                 y3="-8.563459"
                                 z3="-2.716813"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.616651"
                                 y3="-6.108822"
                                 z3="-2.890642"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.828031"
                                 y3="-4.235088"
                                 z3="-4.803485"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.159552"
                                 y3="-4.199225"
                                 z3="-1.531341"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.502806"
                                 y3="-10.57657"
                                 z3="-2.164766"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.044482"
                                 y3="-10.428239"
                                 z3="-0.556675"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.958702"
                                 y3="0.106726"
                                 z3="-4.55082"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.173842"
                                 y3="-4.519557"
                                 z3="-2.118963"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.200407"
                                 y3="-3.232464"
                                 z3="-0.44485"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.645754"
                                 y3="-4.18588"
                                 z3="-3.50648"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.614091"
                                 y3="-6.298366"
                                 z3="-0.584132"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.559174"
                                 y3="-9.506729"
                                 z3="-0.687833"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.09274"
                                 y3="-7.842441"
                                 z3="-0.072293"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.24707"
                                 y3="-6.768727"
                                 z3="-1.342452"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.044323"
                                 y3="-2.45665"
                                 z3="-2.599286"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.573187"
                                 y3="-10.181784"
                                 z3="0.610374"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.280549"
                                 y3="-3.247333"
                                 z3="-3.769266"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.209187"
                                 y3="-0.763813"
                                 z3="-1.237534"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.370469"
                                 y3="-1.497895"
                                 z3="-2.197156"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.391145"
                                 y3="-6.997481"
                                 z3="-3.3384"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.817271"
                                 y3="-2.10256"
                                 z3="-2.787155"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.240019"
                                 y3="-1.26407"
                                 z3="-4.075638"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.625713"
                                 y3="-8.121205"
                                 z3="-1.356137"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.360675"
                                 y3="-10.006025"
                                 z3="-2.949596"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.568814"
                                 y3="-0.653488"
                                 z3="-4.468946"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.717681"
                                 y3="-4.659624"
                                 z3="-6.407194"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.6851"
                                 y3="-2.512477"
                                 z3="-3.253463"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.479662"
                                 y3="-2.749875"
                                 z3="-0.012039"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.155432"
                                 y3="-4.006503"
                                 z3="-6.870758"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.817742"
                                 y3="-5.872415"
                                 z3="-0.028249"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.288968"
                                 y3="0.420649"
                                 z3="-2.079235"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.31484"
                                 y3="-6.529048"
                                 z3="-1.756695"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.906216"
                                 y3="-2.493457"
                                 z3="-1.381133"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.895041"
                                 y3="-0.754481"
                                 z3="-3.330572"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.811657"
                                 y3="-3.43409"
                                 z3="-5.273214"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.928134"
                                 y3="-7.148005"
                                 z3="-3.878754"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.702597"
                                 y3="-3.346581"
                                 z3="-1.697226"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.166188"
                                 y3="-6.665285"
                                 z3="-0.053008"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.311453"
                                 y3="-5.13005"
                                 z3="-0.464386"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.674761"
                                 y3="-2.937783"
                                 z3="-0.551021"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.479175"
                                 y3="-5.141435"
                                 z3="-1.833987"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.804209"
                                 y3="-7.554546"
                                 z3="-3.895048"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.090857"
                                 y3="-5.779974"
                                 z3="-5.411071"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.H3O2.H2O/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;1-3-2;/h7,13-14,17-18,21-22H;2H;1-2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.4762,-2.7272,-4.4165;-.0582,-3.1027,-3.7184;-.3556,-4.9151,-5.8515;.2358,-2.1628,-6.3513;2.0682,-5.0955,-4.393;3.0669,-7.6933,-5.1369;.9025,-6.1695,-2.0516;.3207,-7.2623,-4.6869;1.9626,-8.5635,-2.7168;3.6167,-6.1088,-2.8906;4.828,-4.2351,-4.8035;2.1596,-4.1992,-1.5313;3.5028,-10.5766,-2.1648;1.0445,-10.4282,-.5567;1.9587,.1067,-4.5508;5.1738,-4.5196,-2.119;7.2004,-3.2325,-.4449;3.6458,-4.1859,-3.5065;6.6141,-6.2984,-.5841;2.5592,-9.5067,-.6878;2.0927,-7.8424,-.0723;1.2471,-6.7687,-1.3425;4.0443,-2.4566,-2.5993;3.5732,-10.1818,.6104;6.2805,-3.2473,-3.7693;6.2092,-.7638,-1.2375;1.3705,-1.4979,-2.1972;6.3911,-6.9975,-3.3384;.8173,-2.1026,-2.7872;5.24,-1.2641,-4.0756;4.6257,-8.1212,-1.3561;3.3607,-10.006,-2.9496;4.5688,-.6535,-4.4689;2.7177,-4.6596,-6.4072;6.6851,-2.5125,-3.2535;4.4797,-2.7499,-.012;2.1554,-4.0065,-6.8708;3.8177,-5.8724,-.0282;3.289,.4206,-2.0792;5.3148,-6.529,-1.7567;5.9062,-2.4935,-1.3811;2.895,-.7545,-3.3306;.8117,-3.4341,-5.2732;1.9281,-7.148,-3.8788;1.7026,-3.3466,-1.6972;3.1662,-6.6653,-.053;3.3115,-5.13,-.4644;3.6748,-2.9378,-.551;1.4792,-5.1414,-1.834;5.8042,-7.5545,-3.895;-.0909,-5.78,-5.4111;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7,12,49;38/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);(1,2);/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;3.2;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">26</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.53828474</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02299067</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00419143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02299067</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00419143</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15457206</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04450692</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.473002"
                                 y3="-2.719727"
                                 z3="-4.422339"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.088276"
                                 y3="-2.996757"
                                 z3="-3.793064"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.347226"
                                 y3="-4.908731"
                                 z3="-5.831305"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.307771"
                                 y3="-2.196945"
                                 z3="-6.466329"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.035783"
                                 y3="-5.084327"
                                 z3="-4.339944"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.998907"
                                 y3="-7.677791"
                                 z3="-5.171223"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.902301"
                                 y3="-6.166145"
                                 z3="-1.956779"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.289502"
                                 y3="-7.217844"
                                 z3="-4.631325"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.961874"
                                 y3="-8.553096"
                                 z3="-2.71837"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.604429"
                                 y3="-6.119947"
                                 z3="-2.880628"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.784451"
                                 y3="-4.264096"
                                 z3="-4.793202"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.208948"
                                 y3="-4.151577"
                                 z3="-1.490478"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.501713"
                                 y3="-10.556583"
                                 z3="-2.215814"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.082043"
                                 y3="-10.441622"
                                 z3="-0.575423"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.977326"
                                 y3="0.132313"
                                 z3="-4.614535"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.149834"
                                 y3="-4.515073"
                                 z3="-2.100975"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.106636"
                                 y3="-3.21694"
                                 z3="-0.332772"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.629876"
                                 y3="-4.174824"
                                 z3="-3.475808"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.664286"
                                 y3="-6.290178"
                                 z3="-0.650534"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.598688"
                                 y3="-9.524181"
                                 z3="-0.702947"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.147808"
                                 y3="-7.857967"
                                 z3="-0.06717"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.279672"
                                 y3="-6.765956"
                                 z3="-1.264521"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.042053"
                                 y3="-2.427667"
                                 z3="-2.622352"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.614237"
                                 y3="-10.226608"
                                 z3="0.579002"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.330879"
                                 y3="-3.311851"
                                 z3="-3.691884"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.149757"
                                 y3="-0.768069"
                                 z3="-1.230838"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.381124"
                                 y3="-1.463854"
                                 z3="-2.22949"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.340449"
                                 y3="-6.964835"
                                 z3="-3.383479"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.82714"
                                 y3="-2.077581"
                                 z3="-2.818084"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.233101"
                                 y3="-1.297385"
                                 z3="-4.109709"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.660343"
                                 y3="-8.141949"
                                 z3="-1.346326"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.336413"
                                 y3="-9.987841"
                                 z3="-2.997682"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.581443"
                                 y3="-0.671375"
                                 z3="-4.510107"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.766935"
                                 y3="-4.69682"
                                 z3="-6.343139"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.712605"
                                 y3="-2.558634"
                                 z3="-3.189588"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.392754"
                                 y3="-2.788169"
                                 z3="-0.035194"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.21179"
                                 y3="-4.069453"
                                 z3="-6.849372"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.859761"
                                 y3="-5.897385"
                                 z3="-0.01813"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.283365"
                                 y3="0.446511"
                                 z3="-2.142903"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.3094"
                                 y3="-6.535521"
                                 z3="-1.756807"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.860044"
                                 y3="-2.502016"
                                 z3="-1.352091"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.894666"
                                 y3="-0.741303"
                                 z3="-3.384766"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.824853"
                                 y3="-3.415448"
                                 z3="-5.30308"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.922389"
                                 y3="-7.12581"
                                 z3="-3.870108"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.701111"
                                 y3="-3.33543"
                                 z3="-1.682713"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.219368"
                                 y3="-6.70689"
                                 z3="-0.064734"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.355781"
                                 y3="-5.147115"
                                 z3="-0.436561"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.618677"
                                 y3="-3.024626"
                                 z3="-0.606982"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.477217"
                                 y3="-5.192492"
                                 z3="-1.679415"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.699639"
                                 y3="-7.412176"
                                 z3="-3.977552"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.084924"
                                 y3="-5.764829"
                                 z3="-5.37384"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.H3O2.H2O/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;1-3-2;/h7,13-14,17-18,21-22H;2H;1-2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.473,-2.7197,-4.4223;-.0883,-2.9968,-3.7931;-.3472,-4.9087,-5.8313;.3078,-2.1969,-6.4663;2.0358,-5.0843,-4.3399;2.9989,-7.6778,-5.1712;.9023,-6.1661,-1.9568;.2895,-7.2178,-4.6313;1.9619,-8.5531,-2.7184;3.6044,-6.1199,-2.8806;4.7845,-4.2641,-4.7932;2.2089,-4.1516,-1.4905;3.5017,-10.5566,-2.2158;1.082,-10.4416,-.5754;1.9773,.1323,-4.6145;5.1498,-4.5151,-2.101;7.1066,-3.2169,-.3328;3.6299,-4.1748,-3.4758;6.6643,-6.2902,-.6505;2.5987,-9.5242,-.7029;2.1478,-7.858,-.0672;1.2797,-6.766,-1.2645;4.0421,-2.4277,-2.6224;3.6142,-10.2266,.579;6.3309,-3.3119,-3.6919;6.1498,-.7681,-1.2308;1.3811,-1.4639,-2.2295;6.3404,-6.9648,-3.3835;.8271,-2.0776,-2.8181;5.2331,-1.2974,-4.1097;4.6603,-8.1419,-1.3463;3.3364,-9.9878,-2.9977;4.5814,-.6714,-4.5101;2.7669,-4.6968,-6.3431;6.7126,-2.5586,-3.1896;4.3928,-2.7882,-.0352;2.2118,-4.0695,-6.8494;3.8598,-5.8974,-.0181;3.2834,.4465,-2.1429;5.3094,-6.5355,-1.7568;5.86,-2.502,-1.3521;2.8947,-.7413,-3.3848;.8249,-3.4154,-5.3031;1.9224,-7.1258,-3.8701;1.7011,-3.3354,-1.6827;3.2194,-6.7069,-.0647;3.3558,-5.1471,-.4366;3.6187,-3.0246,-.607;1.4772,-5.1925,-1.6794;5.6996,-7.4122,-3.9776;-.0849,-5.7648,-5.3738;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7,12,49;38/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);(1,2);/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;3.2;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">27</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.53948036</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02214867</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00510995</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02214867</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00510995</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12391073</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03728073</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.46343"
                                 y3="-2.714133"
                                 z3="-4.418312"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.119226"
                                 y3="-2.917405"
                                 z3="-3.864465"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.341012"
                                 y3="-4.902857"
                                 z3="-5.822161"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.364771"
                                 y3="-2.225344"
                                 z3="-6.559572"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.003769"
                                 y3="-5.070826"
                                 z3="-4.280809"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.931537"
                                 y3="-7.653808"
                                 z3="-5.194648"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.958557"
                                 y3="-6.135812"
                                 z3="-1.849395"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.251368"
                                 y3="-7.171664"
                                 z3="-4.562027"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.954766"
                                 y3="-8.548084"
                                 z3="-2.720661"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.593119"
                                 y3="-6.132365"
                                 z3="-2.866944"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.739951"
                                 y3="-4.286339"
                                 z3="-4.779448"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.238306"
                                 y3="-4.111207"
                                 z3="-1.471034"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.516217"
                                 y3="-10.541247"
                                 z3="-2.259781"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.115327"
                                 y3="-10.459657"
                                 z3="-0.584995"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.006972"
                                 y3="0.149275"
                                 z3="-4.678096"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.120944"
                                 y3="-4.514721"
                                 z3="-2.077988"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.045068"
                                 y3="-3.198608"
                                 z3="-0.264973"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.610879"
                                 y3="-4.167813"
                                 z3="-3.441904"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.701382"
                                 y3="-6.285666"
                                 z3="-0.695152"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.631844"
                                 y3="-9.545709"
                                 z3="-0.72142"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.20004"
                                 y3="-7.885597"
                                 z3="-0.048908"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.318998"
                                 y3="-6.784125"
                                 z3="-1.18861"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.036706"
                                 y3="-2.397516"
                                 z3="-2.640379"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.661421"
                                 y3="-10.270944"
                                 z3="0.534727"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.337969"
                                 y3="-3.372131"
                                 z3="-3.628959"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.106335"
                                 y3="-0.769294"
                                 z3="-1.230809"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.395247"
                                 y3="-1.435597"
                                 z3="-2.265807"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.2960"
                                 y3="-6.941005"
                                 z3="-3.409994"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.820544"
                                 y3="-2.030057"
                                 z3="-2.858853"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.219919"
                                 y3="-1.339286"
                                 z3="-4.135376"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.683867"
                                 y3="-8.158141"
                                 z3="-1.331041"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.304101"
                                 y3="-9.985088"
                                 z3="-3.040336"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.591799"
                                 y3="-0.69277"
                                 z3="-4.536975"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.830428"
                                 y3="-4.703681"
                                 z3="-6.291447"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.719158"
                                 y3="-2.605636"
                                 z3="-3.147999"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.331925"
                                 y3="-2.785806"
                                 z3="-0.049189"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.267368"
                                 y3="-4.106623"
                                 z3="-6.824259"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.889463"
                                 y3="-5.931718"
                                 z3="-0.008915"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.282698"
                                 y3="0.469665"
                                 z3="-2.198097"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.306237"
                                 y3="-6.540107"
                                 z3="-1.747235"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.823938"
                                 y3="-2.50585"
                                 z3="-1.3334"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.894928"
                                 y3="-0.731934"
                                 z3="-3.427883"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.833869"
                                 y3="-3.399894"
                                 z3="-5.334221"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.909734"
                                 y3="-7.104259"
                                 z3="-3.853457"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.696765"
                                 y3="-3.313469"
                                 z3="-1.67486"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.261693"
                                 y3="-6.752769"
                                 z3="-0.062067"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.375259"
                                 y3="-5.185986"
                                 z3="-0.411815"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.570323"
                                 y3="-3.106337"
                                 z3="-0.604588"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.503162"
                                 y3="-5.233775"
                                 z3="-1.680301"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.621695"
                                 y3="-7.288266"
                                 z3="-4.031722"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.087831"
                                 y3="-5.752625"
                                 z3="-5.346852"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.2H2O.HO/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;;;/h7,13-14,17-18,21-22H;2H;2*1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4634,-2.7141,-4.4183;-.1192,-2.9174,-3.8645;-.341,-4.9029,-5.8222;.3648,-2.2253,-6.5596;2.0038,-5.0708,-4.2808;2.9315,-7.6538,-5.1946;.9586,-6.1358,-1.8494;.2514,-7.1717,-4.562;1.9548,-8.5481,-2.7207;3.5931,-6.1324,-2.8669;4.74,-4.2863,-4.7794;2.2383,-4.1112,-1.471;3.5162,-10.5412,-2.2598;1.1153,-10.4597,-.585;2.007,.1493,-4.6781;5.1209,-4.5147,-2.078;7.0451,-3.1986,-.265;3.6109,-4.1678,-3.4419;6.7014,-6.2857,-.6952;2.6318,-9.5457,-.7214;2.2,-7.8856,-.0489;1.319,-6.7841,-1.1886;4.0367,-2.3975,-2.6404;3.6614,-10.2709,.5347;6.338,-3.3721,-3.629;6.1063,-.7693,-1.2308;1.3952,-1.4356,-2.2658;6.296,-6.941,-3.41;.8205,-2.0301,-2.8589;5.2199,-1.3393,-4.1354;4.6839,-8.1581,-1.331;3.3041,-9.9851,-3.0403;4.5918,-.6928,-4.537;2.8304,-4.7037,-6.2914;6.7192,-2.6056,-3.148;4.3319,-2.7858,-.0492;2.2674,-4.1066,-6.8243;3.8895,-5.9317,-.0089;3.2827,.4697,-2.1981;5.3062,-6.5401,-1.7472;5.8239,-2.5059,-1.3334;2.8949,-.7319,-3.4279;.8339,-3.3999,-5.3342;1.9097,-7.1043,-3.8535;1.6968,-3.3135,-1.6749;3.2617,-6.7528,-.0621;3.3753,-5.186,-.4118;3.5703,-3.1063,-.6046;1.5032,-5.2338,-1.6803;5.6217,-7.2883,-4.0317;-.0878,-5.7526,-5.3469;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7;38;12/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);;;/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">28</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">28</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54136912</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02538991</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00559277</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02538991</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00559277</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15015303</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05266640</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.480161"
                                 y3="-2.721762"
                                 z3="-4.437044"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.072711"
                                 y3="-2.992478"
                                 z3="-3.77495"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.376699"
                                 y3="-4.898199"
                                 z3="-5.813968"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.272298"
                                 y3="-2.195477"
                                 z3="-6.446976"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.032098"
                                 y3="-5.081521"
                                 z3="-4.326836"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.032485"
                                 y3="-7.67467"
                                 z3="-5.165941"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.843202"
                                 y3="-6.242236"
                                 z3="-1.999548"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.298191"
                                 y3="-7.236493"
                                 z3="-4.660358"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.961644"
                                 y3="-8.589066"
                                 z3="-2.740945"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.597994"
                                 y3="-6.124031"
                                 z3="-2.881001"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.775123"
                                 y3="-4.269464"
                                 z3="-4.802971"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.197639"
                                 y3="-4.107587"
                                 z3="-1.503605"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.56775"
                                 y3="-10.569828"
                                 z3="-2.187183"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.084193"
                                 y3="-10.451824"
                                 z3="-0.576452"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.0231"
                                 y3="0.122973"
                                 z3="-4.634411"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.135739"
                                 y3="-4.515224"
                                 z3="-2.096343"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.160217"
                                 y3="-3.244054"
                                 z3="-0.398388"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.622299"
                                 y3="-4.181892"
                                 z3="-3.478846"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.655909"
                                 y3="-6.304513"
                                 z3="-0.630379"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.597479"
                                 y3="-9.529084"
                                 z3="-0.71354"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.133171"
                                 y3="-7.873854"
                                 z3="-0.065154"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.243459"
                                 y3="-6.809541"
                                 z3="-1.290256"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.036389"
                                 y3="-2.431504"
                                 z3="-2.599624"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.621227"
                                 y3="-10.210415"
                                 z3="0.573502"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.29386"
                                 y3="-3.282498"
                                 z3="-3.716486"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.160464"
                                 y3="-0.774611"
                                 z3="-1.186408"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.364103"
                                 y3="-1.440938"
                                 z3="-2.272616"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.357104"
                                 y3="-6.972564"
                                 z3="-3.372325"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.812466"
                                 y3="-2.058563"
                                 z3="-2.851418"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.249252"
                                 y3="-1.300887"
                                 z3="-4.104068"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.644449"
                                 y3="-8.129026"
                                 z3="-1.340589"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.372942"
                                 y3="-10.022429"
                                 z3="-2.977781"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.600902"
                                 y3="-0.665673"
                                 z3="-4.493267"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.749645"
                                 y3="-4.701739"
                                 z3="-6.370516"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.681281"
                                 y3="-2.530277"
                                 z3="-3.213005"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.433809"
                                 y3="-2.759271"
                                 z3="-0.000198"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.174302"
                                 y3="-4.071132"
                                 z3="-6.84884"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.859083"
                                 y3="-5.904612"
                                 z3="-0.001266"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.295989"
                                 y3="0.449466"
                                 z3="-2.129494"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.317808"
                                 y3="-6.532539"
                                 z3="-1.752613"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.874304"
                                 y3="-2.505957"
                                 z3="-1.35207"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.913467"
                                 y3="-0.736679"
                                 z3="-3.375144"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.810499"
                                 y3="-3.42076"
                                 z3="-5.299306"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.921989"
                                 y3="-7.14433"
                                 z3="-3.875263"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.724322"
                                 y3="-3.261446"
                                 z3="-1.666872"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.206878"
                                 y3="-6.700025"
                                 z3="-0.04067"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.346912"
                                 y3="-5.150533"
                                 z3="-0.40464"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.626188"
                                 y3="-3.032761"
                                 z3="-0.513687"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.470539"
                                 y3="-5.09597"
                                 z3="-1.785371"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.724926"
                                 y3="-7.433252"
                                 z3="-3.966584"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.118119"
                                 y3="-5.763857"
                                 z3="-5.361698"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.H3O2.H2O/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;1-3-2;/h7,13-14,17-18,21-22H;2H;1-2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.4802,-2.7218,-4.437;-.0727,-2.9925,-3.775;-.3767,-4.8982,-5.814;.2723,-2.1955,-6.447;2.0321,-5.0815,-4.3268;3.0325,-7.6747,-5.1659;.8432,-6.2422,-1.9995;.2982,-7.2365,-4.6604;1.9616,-8.5891,-2.7409;3.598,-6.124,-2.881;4.7751,-4.2695,-4.803;2.1976,-4.1076,-1.5036;3.5678,-10.5698,-2.1872;1.0842,-10.4518,-.5765;2.0231,.123,-4.6344;5.1357,-4.5152,-2.0963;7.1602,-3.2441,-.3984;3.6223,-4.1819,-3.4788;6.6559,-6.3045,-.6304;2.5975,-9.5291,-.7135;2.1332,-7.8739,-.0652;1.2435,-6.8095,-1.2903;4.0364,-2.4315,-2.5996;3.6212,-10.2104,.5735;6.2939,-3.2825,-3.7165;6.1605,-.7746,-1.1864;1.3641,-1.4409,-2.2726;6.3571,-6.9726,-3.3723;.8125,-2.0586,-2.8514;5.2493,-1.3009,-4.1041;4.6444,-8.129,-1.3406;3.3729,-10.0224,-2.9778;4.6009,-.6657,-4.4933;2.7496,-4.7017,-6.3705;6.6813,-2.5303,-3.213;4.4338,-2.7593,-.0002;2.1743,-4.0711,-6.8488;3.8591,-5.9046,-.0013;3.296,.4495,-2.1295;5.3178,-6.5325,-1.7526;5.8743,-2.506,-1.3521;2.9135,-.7367,-3.3751;.8105,-3.4208,-5.2993;1.922,-7.1443,-3.8753;1.7243,-3.2614,-1.6669;3.2069,-6.7,-.0407;3.3469,-5.1505,-.4046;3.6262,-3.0328,-.5137;1.4705,-5.096,-1.7854;5.7249,-7.4333,-3.9666;-.1181,-5.7639,-5.3617;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7,12,49;38/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);(1,2);/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;3.2;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">29</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">29</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.53710643</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04706008</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00651697</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04706008</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00651697</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10815961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03260417</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.485433"
                                 y3="-2.72193"
                                 z3="-4.421058"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.087818"
                                 y3="-3.012316"
                                 z3="-3.773978"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.312981"
                                 y3="-4.913621"
                                 z3="-5.794627"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.295575"
                                 y3="-2.213882"
                                 z3="-6.405366"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.042083"
                                 y3="-5.078465"
                                 z3="-4.314249"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.027894"
                                 y3="-7.669059"
                                 z3="-5.158912"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.916643"
                                 y3="-6.160099"
                                 z3="-1.976039"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.290373"
                                 y3="-7.228548"
                                 z3="-4.639995"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.958332"
                                 y3="-8.547805"
                                 z3="-2.738621"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.596963"
                                 y3="-6.11283"
                                 z3="-2.87657"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.775999"
                                 y3="-4.266073"
                                 z3="-4.781942"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.21032"
                                 y3="-4.146006"
                                 z3="-1.509939"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.489669"
                                 y3="-10.58207"
                                 z3="-2.221014"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.116141"
                                 y3="-10.425045"
                                 z3="-0.518798"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.026543"
                                 y3="0.116504"
                                 z3="-4.646749"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.121335"
                                 y3="-4.517836"
                                 z3="-2.099398"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.102684"
                                 y3="-3.252038"
                                 z3="-0.415197"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.618619"
                                 y3="-4.181667"
                                 z3="-3.475455"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.666628"
                                 y3="-6.293315"
                                 z3="-0.643436"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.606178"
                                 y3="-9.504122"
                                 z3="-0.722283"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.191369"
                                 y3="-7.830148"
                                 z3="-0.102948"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.315842"
                                 y3="-6.737828"
                                 z3="-1.271742"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.018453"
                                 y3="-2.440113"
                                 z3="-2.610704"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.646234"
                                 y3="-10.210788"
                                 z3="0.511615"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.254029"
                                 y3="-3.320487"
                                 z3="-3.673396"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.100573"
                                 y3="-0.778691"
                                 z3="-1.240098"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.369107"
                                 y3="-1.455213"
                                 z3="-2.30777"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.350605"
                                 y3="-6.984721"
                                 z3="-3.364161"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.807088"
                                 y3="-2.049441"
                                 z3="-2.883041"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.200209"
                                 y3="-1.324018"
                                 z3="-4.016746"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.633691"
                                 y3="-8.116564"
                                 z3="-1.346422"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.264783"
                                 y3="-10.048245"
                                 z3="-2.992063"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.600578"
                                 y3="-0.69053"
                                 z3="-4.446884"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.762294"
                                 y3="-4.659909"
                                 z3="-6.285579"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.641085"
                                 y3="-2.573719"
                                 z3="-3.200265"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.398107"
                                 y3="-2.754808"
                                 z3="-0.065162"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.218204"
                                 y3="-4.052923"
                                 z3="-6.803491"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.874833"
                                 y3="-5.910657"
                                 z3="-0.031396"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.275607"
                                 y3="0.420451"
                                 z3="-2.133418"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.31403"
                                 y3="-6.527158"
                                 z3="-1.756417"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.841595"
                                 y3="-2.512915"
                                 z3="-1.36515"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.905219"
                                 y3="-0.749277"
                                 z3="-3.372312"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.828052"
                                 y3="-3.429373"
                                 z3="-5.284315"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.917329"
                                 y3="-7.124895"
                                 z3="-3.868773"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.741249"
                                 y3="-3.282883"
                                 z3="-1.68984"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.221448"
                                 y3="-6.70522"
                                 z3="-0.073419"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.355671"
                                 y3="-5.168819"
                                 z3="-0.457362"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.623098"
                                 y3="-3.031509"
                                 z3="-0.610952"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.471397"
                                 y3="-5.135549"
                                 z3="-1.766345"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.721372"
                                 y3="-7.425751"
                                 z3="-3.937587"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.018044"
                                 y3="-5.752684"
                                 z3="-5.343642"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.H3O2.H2O/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;1-3-2;/h7,13-14,17-18,21-22H;2H;1-2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.4854,-2.7219,-4.4211;-.0878,-3.0123,-3.774;-.313,-4.9136,-5.7946;.2956,-2.2139,-6.4054;2.0421,-5.0785,-4.3142;3.0279,-7.6691,-5.1589;.9166,-6.1601,-1.976;.2904,-7.2285,-4.64;1.9583,-8.5478,-2.7386;3.597,-6.1128,-2.8766;4.776,-4.2661,-4.7819;2.2103,-4.146,-1.5099;3.4897,-10.5821,-2.221;1.1161,-10.425,-.5188;2.0265,.1165,-4.6467;5.1213,-4.5178,-2.0994;7.1027,-3.252,-.4152;3.6186,-4.1817,-3.4755;6.6666,-6.2933,-.6434;2.6062,-9.5041,-.7223;2.1914,-7.8301,-.1029;1.3158,-6.7378,-1.2717;4.0185,-2.4401,-2.6107;3.6462,-10.2108,.5116;6.254,-3.3205,-3.6734;6.1006,-.7787,-1.2401;1.3691,-1.4552,-2.3078;6.3506,-6.9847,-3.3642;.8071,-2.0494,-2.883;5.2002,-1.324,-4.0167;4.6337,-8.1166,-1.3464;3.2648,-10.0482,-2.9921;4.6006,-.6905,-4.4469;2.7623,-4.6599,-6.2856;6.6411,-2.5737,-3.2003;4.3981,-2.7548,-.0652;2.2182,-4.0529,-6.8035;3.8748,-5.9107,-.0314;3.2756,.4205,-2.1334;5.314,-6.5272,-1.7564;5.8416,-2.5129,-1.3652;2.9052,-.7493,-3.3723;.8281,-3.4294,-5.2843;1.9173,-7.1249,-3.8688;1.7412,-3.2829,-1.6898;3.2214,-6.7052,-.0734;3.3557,-5.1688,-.4574;3.6231,-3.0315,-.611;1.4714,-5.1355,-1.7663;5.7214,-7.4258,-3.9376;-.018,-5.7527,-5.3436;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7,12,49;38/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);(1,2);/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;3.2;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">30</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">30</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.53539666</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03081475</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01179903</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03081475</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01179903</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03622174</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01060996</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.481569"
                                 y3="-2.721165"
                                 z3="-4.425939"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.097179"
                                 y3="-3.013943"
                                 z3="-3.78245"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.332291"
                                 y3="-4.923229"
                                 z3="-5.809493"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.282354"
                                 y3="-2.204105"
                                 z3="-6.427168"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.039073"
                                 y3="-5.080558"
                                 z3="-4.317322"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.0240"
                                 y3="-7.675569"
                                 z3="-5.155983"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.91704"
                                 y3="-6.158047"
                                 z3="-1.974196"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.291422"
                                 y3="-7.22473"
                                 z3="-4.639039"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.959042"
                                 y3="-8.557882"
                                 z3="-2.733527"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.598227"
                                 y3="-6.117472"
                                 z3="-2.875512"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.780364"
                                 y3="-4.267478"
                                 z3="-4.789935"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.207547"
                                 y3="-4.144731"
                                 z3="-1.507272"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.502481"
                                 y3="-10.571566"
                                 z3="-2.222019"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.099268"
                                 y3="-10.432732"
                                 z3="-0.534249"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.027247"
                                 y3="0.123667"
                                 z3="-4.640989"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.127449"
                                 y3="-4.515719"
                                 z3="-2.096279"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.125634"
                                 y3="-3.245252"
                                 z3="-0.401582"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.619595"
                                 y3="-4.181758"
                                 z3="-3.476244"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.669027"
                                 y3="-6.296252"
                                 z3="-0.642834"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.604304"
                                 y3="-9.513015"
                                 z3="-0.715836"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.171029"
                                 y3="-7.844994"
                                 z3="-0.080812"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.31508"
                                 y3="-6.739098"
                                 z3="-1.273218"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.021052"
                                 y3="-2.433359"
                                 z3="-2.609913"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.647065"
                                 y3="-10.220089"
                                 z3="0.531791"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.272153"
                                 y3="-3.32368"
                                 z3="-3.691727"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.1184"
                                 y3="-0.770752"
                                 z3="-1.228232"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.367895"
                                 y3="-1.458172"
                                 z3="-2.296024"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.347964"
                                 y3="-6.978766"
                                 z3="-3.369078"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.797846"
                                 y3="-2.058744"
                                 z3="-2.873663"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.227633"
                                 y3="-1.314347"
                                 z3="-4.036562"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.637126"
                                 y3="-8.123875"
                                 z3="-1.342476"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.277629"
                                 y3="-10.027897"
                                 z3="-3.003189"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.605052"
                                 y3="-0.678212"
                                 z3="-4.457169"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.772554"
                                 y3="-4.670219"
                                 z3="-6.312929"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.661583"
                                 y3="-2.566696"
                                 z3="-3.206212"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.399746"
                                 y3="-2.748799"
                                 z3="-0.04472"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.211717"
                                 y3="-4.053185"
                                 z3="-6.819603"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.874009"
                                 y3="-5.907251"
                                 z3="-0.023604"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.280451"
                                 y3="0.435366"
                                 z3="-2.124674"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.317359"
                                 y3="-6.528585"
                                 z3="-1.754063"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.850674"
                                 y3="-2.507832"
                                 z3="-1.361116"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.905912"
                                 y3="-0.744307"
                                 z3="-3.371935"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.821001"
                                 y3="-3.430182"
                                 z3="-5.292411"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.918149"
                                 y3="-7.128414"
                                 z3="-3.868093"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.736552"
                                 y3="-3.288155"
                                 z3="-1.680174"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.219339"
                                 y3="-6.702965"
                                 z3="-0.059727"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.35622"
                                 y3="-5.16798"
                                 z3="-0.445182"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.611487"
                                 y3="-3.027607"
                                 z3="-0.57473"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.465371"
                                 y3="-5.14209"
                                 z3="-1.764834"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.708816"
                                 y3="-7.423732"
                                 z3="-3.95794"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.051315"
                                 y3="-5.778458"
                                 z3="-5.36332"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.H3O2.H2O/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;1-3-2;/h7,13-14,17-18,21-22H;2H;1-2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.4816,-2.7212,-4.4259;-.0972,-3.0139,-3.7824;-.3323,-4.9232,-5.8095;.2824,-2.2041,-6.4272;2.0391,-5.0806,-4.3173;3.024,-7.6756,-5.156;.917,-6.158,-1.9742;.2914,-7.2247,-4.639;1.959,-8.5579,-2.7335;3.5982,-6.1175,-2.8755;4.7804,-4.2675,-4.7899;2.2075,-4.1447,-1.5073;3.5025,-10.5716,-2.222;1.0993,-10.4327,-.5342;2.0272,.1237,-4.641;5.1274,-4.5157,-2.0963;7.1256,-3.2453,-.4016;3.6196,-4.1818,-3.4762;6.669,-6.2963,-.6428;2.6043,-9.513,-.7158;2.171,-7.845,-.0808;1.3151,-6.7391,-1.2732;4.0211,-2.4334,-2.6099;3.6471,-10.2201,.5318;6.2722,-3.3237,-3.6917;6.1184,-.7708,-1.2282;1.3679,-1.4582,-2.296;6.348,-6.9788,-3.3691;.7978,-2.0587,-2.8737;5.2276,-1.3143,-4.0366;4.6371,-8.1239,-1.3425;3.2776,-10.0279,-3.0032;4.6051,-.6782,-4.4572;2.7726,-4.6702,-6.3129;6.6616,-2.5667,-3.2062;4.3997,-2.7488,-.0447;2.2117,-4.0532,-6.8196;3.874,-5.9073,-.0236;3.2805,.4354,-2.1247;5.3174,-6.5286,-1.7541;5.8507,-2.5078,-1.3611;2.9059,-.7443,-3.3719;.821,-3.4302,-5.2924;1.9181,-7.1284,-3.8681;1.7366,-3.2882,-1.6802;3.2193,-6.703,-.0597;3.3562,-5.168,-.4452;3.6115,-3.0276,-.5747;1.4654,-5.1421,-1.7648;5.7088,-7.4237,-3.9579;-.0513,-5.7785,-5.3633;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7,12,49;38/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);(1,2);/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;3.2;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">31</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">31</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54125284</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01465461</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00439511</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01465461</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00439511</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03387949</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01053400</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.47664"
                                 y3="-2.720055"
                                 z3="-4.426919"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.102301"
                                 y3="-2.991126"
                                 z3="-3.803454"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.337805"
                                 y3="-4.919008"
                                 z3="-5.81683"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.295225"
                                 y3="-2.208923"
                                 z3="-6.461047"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.029945"
                                 y3="-5.078629"
                                 z3="-4.309069"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="3.006813"
                                 y3="-7.673127"
                                 z3="-5.167681"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.91407"
                                 y3="-6.163685"
                                 z3="-1.952317"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.283108"
                                 y3="-7.212627"
                                 z3="-4.62298"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.959615"
                                 y3="-8.559669"
                                 z3="-2.732779"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.597937"
                                 y3="-6.123427"
                                 z3="-2.875096"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.770787"
                                 y3="-4.273806"
                                 z3="-4.790433"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.215221"
                                 y3="-4.132988"
                                 z3="-1.498154"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.515574"
                                 y3="-10.564041"
                                 z3="-2.224826"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.099128"
                                 y3="-10.437995"
                                 z3="-0.549066"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.021741"
                                 y3="0.126666"
                                 z3="-4.647033"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.126694"
                                 y3="-4.515541"
                                 z3="-2.091543"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.116336"
                                 y3="-3.234639"
                                 z3="-0.371948"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.617778"
                                 y3="-4.179601"
                                 z3="-3.469301"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.677267"
                                 y3="-6.29819"
                                 z3="-0.654967"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.609331"
                                 y3="-9.521215"
                                 z3="-0.716032"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.1706"
                                 y3="-7.856957"
                                 z3="-0.070898"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.305593"
                                 y3="-6.758307"
                                 z3="-1.259264"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.027745"
                                 y3="-2.425798"
                                 z3="-2.617071"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.647097"
                                 y3="-10.2280"
                                 z3="0.539033"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.291409"
                                 y3="-3.331654"
                                 z3="-3.680834"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.122492"
                                 y3="-0.770968"
                                 z3="-1.22191"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.373381"
                                 y3="-1.451962"
                                 z3="-2.284956"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.336699"
                                 y3="-6.971099"
                                 z3="-3.380924"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.800572"
                                 y3="-2.050617"
                                 z3="-2.864592"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.22974"
                                 y3="-1.313429"
                                 z3="-4.06587"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.64914"
                                 y3="-8.132906"
                                 z3="-1.338217"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.294523"
                                 y3="-10.01706"
                                 z3="-3.006653"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.600971"
                                 y3="-0.677246"
                                 z3="-4.479541"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.786233"
                                 y3="-4.678956"
                                 z3="-6.318696"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.679968"
                                 y3="-2.573248"
                                 z3="-3.19395"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.388567"
                                 y3="-2.751746"
                                 z3="-0.038725"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.219259"
                                 y3="-4.066196"
                                 z3="-6.825788"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.87659"
                                 y3="-5.914236"
                                 z3="-0.018516"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.284196"
                                 y3="0.44463"
                                 z3="-2.139847"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.316271"
                                 y3="-6.532513"
                                 z3="-1.752779"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.848563"
                                 y3="-2.507288"
                                 z3="-1.353072"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.904556"
                                 y3="-0.741227"
                                 z3="-3.382856"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.821762"
                                 y3="-3.423788"
                                 z3="-5.304223"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.918439"
                                 y3="-7.126116"
                                 z3="-3.86753"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.730104"
                                 y3="-3.288372"
                                 z3="-1.67428"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.226869"
                                 y3="-6.714253"
                                 z3="-0.055406"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.359365"
                                 y3="-5.171779"
                                 z3="-0.432695"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.599709"
                                 y3="-3.040856"
                                 z3="-0.566565"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.467476"
                                 y3="-5.155605"
                                 z3="-1.742558"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.688563"
                                 y3="-7.390945"
                                 z3="-3.982198"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.067833"
                                 y3="-5.774485"
                                 z3="-5.360553"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.H3O2.H2O/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;1-3-2;/h7,13-14,17-18,21-22H;2H;1-2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.4766,-2.7201,-4.4269;-.1023,-2.9911,-3.8035;-.3378,-4.919,-5.8168;.2952,-2.2089,-6.461;2.0299,-5.0786,-4.3091;3.0068,-7.6731,-5.1677;.9141,-6.1637,-1.9523;.2831,-7.2126,-4.623;1.9596,-8.5597,-2.7328;3.5979,-6.1234,-2.8751;4.7708,-4.2738,-4.7904;2.2152,-4.133,-1.4982;3.5156,-10.564,-2.2248;1.0991,-10.438,-.5491;2.0217,.1267,-4.647;5.1267,-4.5155,-2.0915;7.1163,-3.2346,-.3719;3.6178,-4.1796,-3.4693;6.6773,-6.2982,-.655;2.6093,-9.5212,-.716;2.1706,-7.857,-.0709;1.3056,-6.7583,-1.2593;4.0277,-2.4258,-2.6171;3.6471,-10.228,.539;6.2914,-3.3317,-3.6808;6.1225,-.771,-1.2219;1.3734,-1.452,-2.285;6.3367,-6.9711,-3.3809;.8006,-2.0506,-2.8646;5.2297,-1.3134,-4.0659;4.6491,-8.1329,-1.3382;3.2945,-10.0171,-3.0067;4.601,-.6772,-4.4795;2.7862,-4.679,-6.3187;6.68,-2.5732,-3.194;4.3886,-2.7517,-.0387;2.2193,-4.0662,-6.8258;3.8766,-5.9142,-.0185;3.2842,.4446,-2.1398;5.3163,-6.5325,-1.7528;5.8486,-2.5073,-1.3531;2.9046,-.7412,-3.3829;.8218,-3.4238,-5.3042;1.9184,-7.1261,-3.8675;1.7301,-3.2884,-1.6743;3.2269,-6.7143,-.0554;3.3594,-5.1718,-.4327;3.5997,-3.0409,-.5666;1.4675,-5.1556,-1.7426;5.6886,-7.3909,-3.9822;-.0678,-5.7745,-5.3606;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7,12,49;38/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);(1,2);/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;3.2;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">32</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">32</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54259855</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01529961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00347157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01529961</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00347157</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06078170</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01825631</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.468108"
                                 y3="-2.717762"
                                 z3="-4.428661"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.112315"
                                 y3="-2.950935"
                                 z3="-3.842391"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.345668"
                                 y3="-4.911908"
                                 z3="-5.829428"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.32045"
                                 y3="-2.218745"
                                 z3="-6.520377"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="2.013475"
                                 y3="-5.074878"
                                 z3="-4.293975"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.976293"
                                 y3="-7.667632"
                                 z3="-5.186462"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.912397"
                                 y3="-6.17012"
                                 z3="-1.911413"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.268851"
                                 y3="-7.191526"
                                 z3="-4.592988"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.960703"
                                 y3="-8.560672"
                                 z3="-2.730856"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.596904"
                                 y3="-6.133124"
                                 z3="-2.873682"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.753647"
                                 y3="-4.28475"
                                 z3="-4.790678"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.229653"
                                 y3="-4.114246"
                                 z3="-1.48318"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.534064"
                                 y3="-10.550611"
                                 z3="-2.231863"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.100902"
                                 y3="-10.445171"
                                 z3="-0.57127"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.014619"
                                 y3="0.132699"
                                 z3="-4.65868"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.124027"
                                 y3="-4.515193"
                                 z3="-2.08382"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.096906"
                                 y3="-3.216623"
                                 z3="-0.320935"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.6138"
                                 y3="-4.175431"
                                 z3="-3.457438"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.692721"
                                 y3="-6.301173"
                                 z3="-0.678378"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.61941"
                                 y3="-9.534015"
                                 z3="-0.716485"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.173466"
                                 y3="-7.875555"
                                 z3="-0.054525"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.291575"
                                 y3="-6.789658"
                                 z3="-1.233647"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.037713"
                                 y3="-2.412868"
                                 z3="-2.629571"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.650097"
                                 y3="-10.242092"
                                 z3="0.548542"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.323428"
                                 y3="-3.347684"
                                 z3="-3.659583"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.125302"
                                 y3="-0.771921"
                                 z3="-1.212495"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.383542"
                                 y3="-1.441248"
                                 z3="-2.26837"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.314984"
                                 y3="-6.95753"
                                 z3="-3.401771"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.804422"
                                 y3="-2.035939"
                                 z3="-2.8509"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.23204"
                                 y3="-1.31409"
                                 z3="-4.112158"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.669755"
                                 y3="-8.147775"
                                 z3="-1.330965"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.317103"
                                 y3="-9.998355"
                                 z3="-3.014202"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.594839"
                                 y3="-0.6769"
                                 z3="-4.515195"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.809963"
                                 y3="-4.694792"
                                 z3="-6.325415"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.709569"
                                 y3="-2.586201"
                                 z3="-3.171124"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.366415"
                                 y3="-2.758952"
                                 z3="-0.030837"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.234586"
                                 y3="-4.089191"
                                 z3="-6.834935"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.883539"
                                 y3="-5.92586"
                                 z3="-0.011009"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.289514"
                                 y3="0.459798"
                                 z3="-2.165334"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.314161"
                                 y3="-6.538687"
                                 z3="-1.750936"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.84244"
                                 y3="-2.507313"
                                 z3="-1.339234"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.901926"
                                 y3="-0.736222"
                                 z3="-3.401413"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.824174"
                                 y3="-3.412952"
                                 z3="-5.325342"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.918822"
                                 y3="-7.120871"
                                 z3="-3.865529"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.720662"
                                 y3="-3.290611"
                                 z3="-1.664304"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.241837"
                                 y3="-6.733017"
                                 z3="-0.049386"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.36751"
                                 y3="-5.178227"
                                 z3="-0.412778"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.578262"
                                 y3="-3.067669"
                                 z3="-0.555541"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.473935"
                                 y3="-5.183102"
                                 z3="-1.703097"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.651088"
                                 y3="-7.330163"
                                 z3="-4.022728"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.093892"
                                 y3="-5.767151"
                                 z3="-5.356666"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a49" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.H3O2.9H2O.20O/c;;;;;;;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;1-2H;9*1H2;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.H3O2.H2O/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;1-3-2;/h7,13-14,17-18,21-22H;2H;1-2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7,12,49;38;3;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/E:;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHH2HH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7s12;s28;s3;/rC:2.4681,-2.7178,-4.4287;-.1123,-2.9509,-3.8424;-.3457,-4.9119,-5.8294;.3205,-2.2187,-6.5204;2.0135,-5.0749,-4.294;2.9763,-7.6676,-5.1865;.9124,-6.1701,-1.9114;.2689,-7.1915,-4.593;1.9607,-8.5607,-2.7309;3.5969,-6.1331,-2.8737;4.7536,-4.2847,-4.7907;2.2297,-4.1142,-1.4832;3.5341,-10.5506,-2.2319;1.1009,-10.4452,-.5713;2.0146,.1327,-4.6587;5.124,-4.5152,-2.0838;7.0969,-3.2166,-.3209;3.6138,-4.1754,-3.4574;6.6927,-6.3012,-.6784;2.6194,-9.534,-.7165;2.1735,-7.8756,-.0545;1.2916,-6.7897,-1.2336;4.0377,-2.4129,-2.6296;3.6501,-10.2421,.5485;6.3234,-3.3477,-3.6596;6.1253,-.7719,-1.2125;1.3835,-1.4412,-2.2684;6.315,-6.9575,-3.4018;.8044,-2.0359,-2.8509;5.232,-1.3141,-4.1122;4.6698,-8.1478,-1.331;3.3171,-9.9984,-3.0142;4.5948,-.6769,-4.5152;2.81,-4.6948,-6.3254;6.7096,-2.5862,-3.1711;4.3664,-2.759,-.0308;2.2346,-4.0892,-6.8349;3.8835,-5.9259,-.011;3.2895,.4598,-2.1653;5.3142,-6.5387,-1.7509;5.8424,-2.5073,-1.3392;2.9019,-.7362,-3.4014;.8242,-3.413,-5.3253;1.9188,-7.1209,-3.8655;1.7207,-3.2906,-1.6643;3.2418,-6.733,-.0494;3.3675,-5.1782,-.4128;3.5783,-3.0677,-.5555;1.4739,-5.1831,-1.7031;5.6511,-7.3302,-4.0227;-.0939,-5.7672,-5.3567;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7,12,49;38/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);(1,2);/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;3.2;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">33</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">33</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54341796</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01869847</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00377925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01869847</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00377925</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08108447</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02193520</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.464031"
                                 y3="-2.713405"
                                 z3="-4.431923"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.138383"
                                 y3="-2.911882"
                                 z3="-3.899678"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.331589"
                                 y3="-4.912623"
                                 z3="-5.845624"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.360118"
                                 y3="-2.232302"
                                 z3="-6.58166"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.999774"
                                 y3="-5.06767"
                                 z3="-4.275269"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.934206"
                                 y3="-7.671082"
                                 z3="-5.196225"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.951442"
                                 y3="-6.125834"
                                 z3="-1.855818"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.248219"
                                 y3="-7.156548"
                                 z3="-4.546196"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.956596"
                                 y3="-8.544398"
                                 z3="-2.719887"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.594071"
                                 y3="-6.140898"
                                 z3="-2.875274"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.736623"
                                 y3="-4.295047"
                                 z3="-4.790223"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.256353"
                                 y3="-4.121518"
                                 z3="-1.472682"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.523558"
                                 y3="-10.537565"
                                 z3="-2.242815"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.110023"
                                 y3="-10.436145"
                                 z3="-0.561389"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.010171"
                                 y3="0.140076"
                                 z3="-4.666027"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.115611"
                                 y3="-4.516138"
                                 z3="-2.079249"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.067806"
                                 y3="-3.211507"
                                 z3="-0.283357"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.606901"
                                 y3="-4.171101"
                                 z3="-3.44892"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.716973"
                                 y3="-6.308049"
                                 z3="-0.715715"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.632798"
                                 y3="-9.532673"
                                 z3="-0.711818"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.194565"
                                 y3="-7.871823"
                                 z3="-0.043799"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.325159"
                                 y3="-6.764777"
                                 z3="-1.191603"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.036858"
                                 y3="-2.403791"
                                 z3="-2.640091"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.666523"
                                 y3="-10.249604"
                                 z3="0.545464"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.338506"
                                 y3="-3.372585"
                                 z3="-3.628936"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.098913"
                                 y3="-0.778076"
                                 z3="-1.205559"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.385135"
                                 y3="-1.449309"
                                 z3="-2.275546"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.286434"
                                 y3="-6.948749"
                                 z3="-3.425486"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.80413"
                                 y3="-2.039298"
                                 z3="-2.864623"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.222647"
                                 y3="-1.314581"
                                 z3="-4.117245"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.6828"
                                 y3="-8.15803"
                                 z3="-1.323848"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.293219"
                                 y3="-9.985097"
                                 z3="-3.023258"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.589974"
                                 y3="-0.67301"
                                 z3="-4.521296"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.846731"
                                 y3="-4.699465"
                                 z3="-6.30242"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.720395"
                                 y3="-2.605066"
                                 z3="-3.145798"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.330749"
                                 y3="-2.780412"
                                 z3="-0.042937"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.273116"
                                 y3="-4.105535"
                                 z3="-6.82905"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.901146"
                                 y3="-5.932972"
                                 z3="-0.019806"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.276713"
                                 y3="0.463359"
                                 z3="-2.172305"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.312741"
                                 y3="-6.543922"
                                 z3="-1.755046"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.82442"
                                 y3="-2.515747"
                                 z3="-1.327467"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.893145"
                                 y3="-0.735245"
                                 z3="-3.408705"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.833458"
                                 y3="-3.40456"
                                 z3="-5.351744"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.914739"
                                 y3="-7.107415"
                                 z3="-3.856387"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.725443"
                                 y3="-3.312098"
                                 z3="-1.653614"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.261655"
                                 y3="-6.74494"
                                 z3="-0.054495"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.383618"
                                 y3="-5.186631"
                                 z3="-0.420349"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.556089"
                                 y3="-3.121374"
                                 z3="-0.572215"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.491809"
                                 y3="-5.257534"
                                 z3="-1.679832"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.601213"
                                 y3="-7.249079"
                                 z3="-4.064105"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.095625"
                                 y3="-5.76094"
                                 z3="-5.351556"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.2H2O.HO/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;;;/h7,13-14,17-18,21-22H;2H;2*1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.464,-2.7134,-4.4319;-.1384,-2.9119,-3.8997;-.3316,-4.9126,-5.8456;.3601,-2.2323,-6.5817;1.9998,-5.0677,-4.2753;2.9342,-7.6711,-5.1962;.9514,-6.1258,-1.8558;.2482,-7.1565,-4.5462;1.9566,-8.5444,-2.7199;3.5941,-6.1409,-2.8753;4.7366,-4.295,-4.7902;2.2564,-4.1215,-1.4727;3.5236,-10.5376,-2.2428;1.11,-10.4361,-.5614;2.0102,.1401,-4.666;5.1156,-4.5161,-2.0792;7.0678,-3.2115,-.2834;3.6069,-4.1711,-3.4489;6.717,-6.308,-.7157;2.6328,-9.5327,-.7118;2.1946,-7.8718,-.0438;1.3252,-6.7648,-1.1916;4.0369,-2.4038,-2.6401;3.6665,-10.2496,.5455;6.3385,-3.3726,-3.6289;6.0989,-.7781,-1.2056;1.3851,-1.4493,-2.2755;6.2864,-6.9487,-3.4255;.8041,-2.0393,-2.8646;5.2226,-1.3146,-4.1172;4.6828,-8.158,-1.3238;3.2932,-9.9851,-3.0233;4.59,-.673,-4.5213;2.8467,-4.6995,-6.3024;6.7204,-2.6051,-3.1458;4.3307,-2.7804,-.0429;2.2731,-4.1055,-6.829;3.9011,-5.933,-.0198;3.2767,.4634,-2.1723;5.3127,-6.5439,-1.755;5.8244,-2.5157,-1.3275;2.8931,-.7352,-3.4087;.8335,-3.4046,-5.3517;1.9147,-7.1074,-3.8564;1.7254,-3.3121,-1.6536;3.2617,-6.7449,-.0545;3.3836,-5.1866,-.4203;3.5561,-3.1214,-.5722;1.4918,-5.2575,-1.6798;5.6012,-7.2491,-4.0641;-.0956,-5.7609,-5.3516;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7;38;12/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);;;/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">34</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">34</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54341517</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04294419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00614422</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04294419</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00614422</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03039566</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00737588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.467549"
                                 y3="-2.713648"
                                 z3="-4.437606"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.130099"
                                 y3="-2.900499"
                                 z3="-3.895901"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.337697"
                                 y3="-4.907902"
                                 z3="-5.83849"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.355132"
                                 y3="-2.233391"
                                 z3="-6.580952"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.994102"
                                 y3="-5.065891"
                                 z3="-4.266483"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.935544"
                                 y3="-7.665424"
                                 z3="-5.200627"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.928666"
                                 y3="-6.15623"
                                 z3="-1.858268"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.246871"
                                 y3="-7.15975"
                                 z3="-4.548174"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.958413"
                                 y3="-8.551875"
                                 z3="-2.724005"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.591593"
                                 y3="-6.142276"
                                 z3="-2.876842"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.731117"
                                 y3="-4.298837"
                                 z3="-4.790501"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.259869"
                                 y3="-4.106256"
                                 z3="-1.470369"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.539317"
                                 y3="-10.542132"
                                 z3="-2.235734"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.112256"
                                 y3="-10.436341"
                                 z3="-0.564278"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.019826"
                                 y3="0.135689"
                                 z3="-4.676735"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.113419"
                                 y3="-4.515622"
                                 z3="-2.075844"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.069943"
                                 y3="-3.215624"
                                 z3="-0.285597"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.604265"
                                 y3="-4.171478"
                                 z3="-3.447107"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.722966"
                                 y3="-6.315302"
                                 z3="-0.723702"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.634968"
                                 y3="-9.532363"
                                 z3="-0.713575"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.192701"
                                 y3="-7.872882"
                                 z3="-0.045316"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.314575"
                                 y3="-6.785769"
                                 z3="-1.191883"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.037671"
                                 y3="-2.403211"
                                 z3="-2.639293"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.667585"
                                 y3="-10.246369"
                                 z3="0.54644"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.342788"
                                 y3="-3.359311"
                                 z3="-3.626041"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.09004"
                                 y3="-0.778278"
                                 z3="-1.188657"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.377923"
                                 y3="-1.443509"
                                 z3="-2.292782"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.283717"
                                 y3="-6.951975"
                                 z3="-3.434329"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.805171"
                                 y3="-2.035774"
                                 z3="-2.884668"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.228996"
                                 y3="-1.317207"
                                 z3="-4.117324"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.68245"
                                 y3="-8.155595"
                                 z3="-1.322978"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.30333"
                                 y3="-9.993952"
                                 z3="-3.017204"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.598247"
                                 y3="-0.674914"
                                 z3="-4.522407"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.844363"
                                 y3="-4.704438"
                                 z3="-6.301923"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.721589"
                                 y3="-2.593522"
                                 z3="-3.138827"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.326639"
                                 y3="-2.782734"
                                 z3="-0.038453"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.264852"
                                 y3="-4.112733"
                                 z3="-6.824166"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.906328"
                                 y3="-5.933605"
                                 z3="-0.017535"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.280126"
                                 y3="0.46756"
                                 z3="-2.177607"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.316158"
                                 y3="-6.544932"
                                 z3="-1.759308"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.821181"
                                 y3="-2.515803"
                                 z3="-1.320097"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.898985"
                                 y3="-0.732679"
                                 z3="-3.412681"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.831456"
                                 y3="-3.403748"
                                 z3="-5.35053"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.914014"
                                 y3="-7.11069"
                                 z3="-3.857394"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.732286"
                                 y3="-3.291858"
                                 z3="-1.644897"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.262689"
                                 y3="-6.742696"
                                 z3="-0.049369"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.388004"
                                 y3="-5.185175"
                                 z3="-0.41469"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.556166"
                                 y3="-3.141439"
                                 z3="-0.563554"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.490189"
                                 y3="-5.232907"
                                 z3="-1.690053"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.594182"
                                 y3="-7.24369"
                                 z3="-4.072784"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.100703"
                                 y3="-5.755624"
                                 z3="-5.342305"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.2H2O.HO/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;;;/h7,13-14,17-18,21-22H;2H;2*1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4675,-2.7136,-4.4376;-.1301,-2.9005,-3.8959;-.3377,-4.9079,-5.8385;.3551,-2.2334,-6.581;1.9941,-5.0659,-4.2665;2.9355,-7.6654,-5.2006;.9287,-6.1562,-1.8583;.2469,-7.1597,-4.5482;1.9584,-8.5519,-2.724;3.5916,-6.1423,-2.8768;4.7311,-4.2988,-4.7905;2.2599,-4.1063,-1.4704;3.5393,-10.5421,-2.2357;1.1123,-10.4363,-.5643;2.0198,.1357,-4.6767;5.1134,-4.5156,-2.0758;7.0699,-3.2156,-.2856;3.6043,-4.1715,-3.4471;6.723,-6.3153,-.7237;2.635,-9.5324,-.7136;2.1927,-7.8729,-.0453;1.3146,-6.7858,-1.1919;4.0377,-2.4032,-2.6393;3.6676,-10.2464,.5464;6.3428,-3.3593,-3.626;6.09,-.7783,-1.1887;1.3779,-1.4435,-2.2928;6.2837,-6.952,-3.4343;.8052,-2.0358,-2.8847;5.229,-1.3172,-4.1173;4.6825,-8.1556,-1.323;3.3033,-9.994,-3.0172;4.5982,-.6749,-4.5224;2.8444,-4.7044,-6.3019;6.7216,-2.5935,-3.1388;4.3266,-2.7827,-.0385;2.2649,-4.1127,-6.8242;3.9063,-5.9336,-.0175;3.2801,.4676,-2.1776;5.3162,-6.5449,-1.7593;5.8212,-2.5158,-1.3201;2.899,-.7327,-3.4127;.8315,-3.4037,-5.3505;1.914,-7.1107,-3.8574;1.7323,-3.2919,-1.6449;3.2627,-6.7427,-.0494;3.388,-5.1852,-.4147;3.5562,-3.1414,-.5636;1.4902,-5.2329,-1.6901;5.5942,-7.2437,-4.0728;-.1007,-5.7556,-5.3423;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7;38;12/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);;;/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">35</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">35</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54537264</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01343211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00340258</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01343211</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00340258</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05893713</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01310027</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.463741"
                                 y3="-2.713358"
                                 z3="-4.445086"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.141963"
                                 y3="-2.874525"
                                 z3="-3.930225"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.330432"
                                 y3="-4.907173"
                                 z3="-5.851038"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.360315"
                                 y3="-2.241769"
                                 z3="-6.608424"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.977401"
                                 y3="-5.060581"
                                 z3="-4.246264"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.918728"
                                 y3="-7.655966"
                                 z3="-5.216665"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.927106"
                                 y3="-6.166417"
                                 z3="-1.830868"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.233814"
                                 y3="-7.149436"
                                 z3="-4.51891"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.964735"
                                 y3="-8.550433"
                                 z3="-2.72601"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.58837"
                                 y3="-6.152072"
                                 z3="-2.877493"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.714478"
                                 y3="-4.318025"
                                 z3="-4.791333"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.27772"
                                 y3="-4.095379"
                                 z3="-1.464026"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.552883"
                                 y3="-10.537654"
                                 z3="-2.244287"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.123732"
                                 y3="-10.439972"
                                 z3="-0.57134"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.021707"
                                 y3="0.125653"
                                 z3="-4.686873"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.099142"
                                 y3="-4.516817"
                                 z3="-2.068613"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.058439"
                                 y3="-3.219556"
                                 z3="-0.269093"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.59544"
                                 y3="-4.173219"
                                 z3="-3.442186"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.734576"
                                 y3="-6.320993"
                                 z3="-0.741746"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.647043"
                                 y3="-9.537717"
                                 z3="-0.717603"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.199119"
                                 y3="-7.881983"
                                 z3="-0.040444"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.327444"
                                 y3="-6.79773"
                                 z3="-1.172998"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.047797"
                                 y3="-2.402655"
                                 z3="-2.655222"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.677382"
                                 y3="-10.256589"
                                 z3="0.540127"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.350287"
                                 y3="-3.373342"
                                 z3="-3.607499"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.082973"
                                 y3="-0.783765"
                                 z3="-1.180256"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.382897"
                                 y3="-1.44434"
                                 z3="-2.296616"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.267759"
                                 y3="-6.944293"
                                 z3="-3.444613"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.80258"
                                 y3="-2.024282"
                                 z3="-2.888656"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.225868"
                                 y3="-1.321368"
                                 z3="-4.130735"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.692896"
                                 y3="-8.1620"
                                 z3="-1.312949"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.307506"
                                 y3="-9.986205"
                                 z3="-3.020071"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.600397"
                                 y3="-0.678804"
                                 z3="-4.540277"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.869843"
                                 y3="-4.691879"
                                 z3="-6.292645"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.733576"
                                 y3="-2.610838"
                                 z3="-3.119583"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.305774"
                                 y3="-2.768241"
                                 z3="-0.043589"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.273553"
                                 y3="-4.123058"
                                 z3="-6.82017"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.913593"
                                 y3="-5.94764"
                                 z3="-0.015476"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.290681"
                                 y3="0.468107"
                                 z3="-2.190691"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.314366"
                                 y3="-6.548855"
                                 z3="-1.757355"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.813714"
                                 y3="-2.521176"
                                 z3="-1.309626"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.904249"
                                 y3="-0.734913"
                                 z3="-3.420579"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.832288"
                                 y3="-3.399373"
                                 z3="-5.365036"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.913796"
                                 y3="-7.108499"
                                 z3="-3.857169"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.755212"
                                 y3="-3.275355"
                                 z3="-1.627197"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.268213"
                                 y3="-6.756375"
                                 z3="-0.040179"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.391909"
                                 y3="-5.196091"
                                 z3="-0.403563"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.530652"
                                 y3="-3.133091"
                                 z3="-0.566087"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.455796"
                                 y3="-5.232979"
                                 z3="-1.661695"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.572952"
                                 y3="-7.184752"
                                 z3="-4.098035"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.100329"
                                 y3="-5.746837"
                                 z3="-5.336443"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH7Mo6O24.HMoO4.2H2O.HO/c7-1(8,9)26-2(10,11,12)28-4(17,18,19,20)30-5(21,22,23,24)29-3(13,14,15,16)27(1)6(26,28,29,30)25;2-1(3,4)5;;;/h7,13-14,17-18,21-22H;2H;2*1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOOO1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4637,-2.7134,-4.4451;-.142,-2.8745,-3.9302;-.3304,-4.9072,-5.851;.3603,-2.2418,-6.6084;1.9774,-5.0606,-4.2463;2.9187,-7.656,-5.2167;.9271,-6.1664,-1.8309;.2338,-7.1494,-4.5189;1.9647,-8.5504,-2.726;3.5884,-6.1521,-2.8775;4.7145,-4.318,-4.7913;2.2777,-4.0954,-1.464;3.5529,-10.5377,-2.2443;1.1237,-10.44,-.5713;2.0217,.1257,-4.6869;5.0991,-4.5168,-2.0686;7.0584,-3.2196,-.2691;3.5954,-4.1732,-3.4422;6.7346,-6.321,-.7417;2.647,-9.5377,-.7176;2.1991,-7.882,-.0404;1.3274,-6.7977,-1.173;4.0478,-2.4027,-2.6552;3.6774,-10.2566,.5401;6.3503,-3.3733,-3.6075;6.083,-.7838,-1.1803;1.3829,-1.4443,-2.2966;6.2678,-6.9443,-3.4446;.8026,-2.0243,-2.8887;5.2259,-1.3214,-4.1307;4.6929,-8.162,-1.3129;3.3075,-9.9862,-3.0201;4.6004,-.6788,-4.5403;2.8698,-4.6919,-6.2926;6.7336,-2.6108,-3.1196;4.3058,-2.7682,-.0436;2.2736,-4.1231,-6.8202;3.9136,-5.9476,-.0155;3.2907,.4681,-2.1907;5.3144,-6.5489,-1.7574;5.8137,-2.5212,-1.3096;2.9042,-.7349,-3.4206;.8323,-3.3994,-5.365;1.9138,-7.1085,-3.8572;1.7552,-3.2754,-1.6272;3.2682,-6.7564,-.0402;3.3919,-5.1961,-.4036;3.5307,-3.1331,-.5661;1.4558,-5.233,-1.6617;5.573,-7.1848,-4.098;-.1003,-5.7468,-5.3364;/R:/0/N:40,44,41,43,42,18,28,19,31,6,8,9,35,36,17,26,3,37,2,4,27,33,15,39,11,10,16,5,23,1;20,13,14,21,24;7;38;12/E:(8,9)(10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24);(3,4,5);;;/CRV:8.1,9.1,10.1,11.1,12.1,15.1,16.1,19.1,20.1,23.1,24.1,25.1,26.3,27.3,28.3,29.3,30.3;3.1,4.1,5.1;;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">36</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">36</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54672465</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01574508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00327935</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01574508</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00327935</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08488536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01749102</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.459814"
                                 y3="-2.712155"
                                 z3="-4.4550"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.15825"
                                 y3="-2.843649"
                                 z3="-3.981282"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.315478"
                                 y3="-4.910741"
                                 z3="-5.870956"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.376976"
                                 y3="-2.254391"
                                 z3="-6.650682"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.957035"
                                 y3="-5.052083"
                                 z3="-4.220723"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.892082"
                                 y3="-7.650104"
                                 z3="-5.234746"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.918286"
                                 y3="-6.172056"
                                 z3="-1.796432"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.220223"
                                 y3="-7.132707"
                                 z3="-4.486694"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.969499"
                                 y3="-8.545066"
                                 z3="-2.725142"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.582625"
                                 y3="-6.16192"
                                 z3="-2.88123"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.693132"
                                 y3="-4.340209"
                                 z3="-4.794017"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.309279"
                                 y3="-4.088146"
                                 z3="-1.454234"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.561039"
                                 y3="-10.531255"
                                 z3="-2.243262"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.132974"
                                 y3="-10.428771"
                                 z3="-0.56594"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.020616"
                                 y3="0.117949"
                                 z3="-4.694046"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.086436"
                                 y3="-4.519034"
                                 z3="-2.063625"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.045246"
                                 y3="-3.225312"
                                 z3="-0.251274"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.584301"
                                 y3="-4.173437"
                                 z3="-3.437706"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.760437"
                                 y3="-6.334188"
                                 z3="-0.784349"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.658873"
                                 y3="-9.532783"
                                 z3="-0.71366"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.210113"
                                 y3="-7.876784"
                                 z3="-0.034019"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.333461"
                                 y3="-6.806033"
                                 z3="-1.147804"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.054306"
                                 y3="-2.400661"
                                 z3="-2.672974"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.686875"
                                 y3="-10.255301"
                                 z3="0.541795"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.362234"
                                 y3="-3.389095"
                                 z3="-3.577834"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.060848"
                                 y3="-0.791904"
                                 z3="-1.161307"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.382952"
                                 y3="-1.448747"
                                 z3="-2.3074"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.235786"
                                 y3="-6.943053"
                                 z3="-3.470934"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.795154"
                                 y3="-2.013835"
                                 z3="-2.902278"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.219903"
                                 y3="-1.316677"
                                 z3="-4.134967"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.703744"
                                 y3="-8.165849"
                                 z3="-1.301324"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.299824"
                                 y3="-9.981165"
                                 z3="-3.014531"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.599399"
                                 y3="-0.674472"
                                 z3="-4.550438"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.903367"
                                 y3="-4.683034"
                                 z3="-6.285612"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.744834"
                                 y3="-2.625668"
                                 z3="-3.092509"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.281014"
                                 y3="-2.768035"
                                 z3="-0.04722"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.293051"
                                 y3="-4.134033"
                                 z3="-6.816902"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.935211"
                                 y3="-5.957065"
                                 z3="-0.019443"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.292413"
                                 y3="0.470418"
                                 z3="-2.198989"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.315348"
                                 y3="-6.553785"
                                 z3="-1.76445"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.799162"
                                 y3="-2.529983"
                                 z3="-1.292935"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.904266"
                                 y3="-0.736211"
                                 z3="-3.424102"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.83823"
                                 y3="-3.395596"
                                 z3="-5.388615"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.913066"
                                 y3="-7.104211"
                                 z3="-3.855736"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.786501"
                                 y3="-3.26485"
                                 z3="-1.600075"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.282916"
                                 y3="-6.761381"
                                 z3="-0.028856"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.409996"
                                 y3="-5.202189"
                                 z3="-0.397965"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.509611"
                                 y3="-3.172151"
                                 z3="-0.556504"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.446342"
                                 y3="-5.264114"
                                 z3="-1.64193"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.531305"
                                 y3="-7.099867"
                                 z3="-4.138735"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.094657"
                                 y3="-5.739221"
                                 z3="-5.333816"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4598,-2.7122,-4.455;-.1583,-2.8436,-3.9813;-.3155,-4.9107,-5.871;.377,-2.2544,-6.6507;1.957,-5.0521,-4.2207;2.8921,-7.6501,-5.2347;.9183,-6.1721,-1.7964;.2202,-7.1327,-4.4867;1.9695,-8.5451,-2.7251;3.5826,-6.1619,-2.8812;4.6931,-4.3402,-4.794;2.3093,-4.0881,-1.4542;3.561,-10.5313,-2.2433;1.133,-10.4288,-.5659;2.0206,.1179,-4.694;5.0864,-4.519,-2.0636;7.0452,-3.2253,-.2513;3.5843,-4.1734,-3.4377;6.7604,-6.3342,-.7843;2.6589,-9.5328,-.7137;2.2101,-7.8768,-.034;1.3335,-6.806,-1.1478;4.0543,-2.4007,-2.673;3.6869,-10.2553,.5418;6.3622,-3.3891,-3.5778;6.0608,-.7919,-1.1613;1.383,-1.4487,-2.3074;6.2358,-6.9431,-3.4709;.7952,-2.0138,-2.9023;5.2199,-1.3167,-4.135;4.7037,-8.1658,-1.3013;3.2998,-9.9812,-3.0145;4.5994,-.6745,-4.5504;2.9034,-4.683,-6.2856;6.7448,-2.6257,-3.0925;4.281,-2.768,-.0472;2.2931,-4.134,-6.8169;3.9352,-5.9571,-.0194;3.2924,.4704,-2.199;5.3153,-6.5538,-1.7645;5.7992,-2.53,-1.2929;2.9043,-.7362,-3.4241;.8382,-3.3956,-5.3886;1.9131,-7.1042,-3.8557;1.7865,-3.2649,-1.6001;3.2829,-6.7614,-.0289;3.41,-5.2022,-.398;3.5096,-3.1722,-.5565;1.4463,-5.2641,-1.6419;5.5313,-7.0999,-4.1387;-.0947,-5.7392,-5.3338;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">37</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">37</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54834158</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01252229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00285122</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01252229</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00285122</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.14505867</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02722239</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.44934"
                                 y3="-2.714491"
                                 z3="-4.470618"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.194927"
                                 y3="-2.828351"
                                 z3="-4.047678"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.277406"
                                 y3="-4.932304"
                                 z3="-5.912752"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.386199"
                                 y3="-2.269662"
                                 z3="-6.696127"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.9172"
                                 y3="-5.034964"
                                 z3="-4.162315"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.868071"
                                 y3="-7.635105"
                                 z3="-5.252783"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.883388"
                                 y3="-6.181481"
                                 z3="-1.75675"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.207831"
                                 y3="-7.100851"
                                 z3="-4.458671"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.97758"
                                 y3="-8.548125"
                                 z3="-2.731525"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.562484"
                                 y3="-6.177768"
                                 z3="-2.882627"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.654106"
                                 y3="-4.394479"
                                 z3="-4.798489"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.365386"
                                 y3="-4.091923"
                                 z3="-1.430502"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.57991"
                                 y3="-10.52897"
                                 z3="-2.239121"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.142964"
                                 y3="-10.43543"
                                 z3="-0.570233"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.008554"
                                 y3="0.096269"
                                 z3="-4.67781"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.06397"
                                 y3="-4.522658"
                                 z3="-2.054379"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.082197"
                                 y3="-3.237124"
                                 z3="-0.291476"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.558481"
                                 y3="-4.181267"
                                 z3="-3.432867"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.775998"
                                 y3="-6.349056"
                                 z3="-0.81211"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.667487"
                                 y3="-9.537477"
                                 z3="-0.708202"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.20465"
                                 y3="-7.883813"
                                 z3="-0.030689"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.322158"
                                 y3="-6.812632"
                                 z3="-1.11591"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.068879"
                                 y3="-2.401884"
                                 z3="-2.709993"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.692124"
                                 y3="-10.25943"
                                 z3="0.546483"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.366956"
                                 y3="-3.409548"
                                 z3="-3.570487"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.069324"
                                 y3="-0.797203"
                                 z3="-1.161131"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.3683"
                                 y3="-1.476619"
                                 z3="-2.324723"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.192916"
                                 y3="-6.944759"
                                 z3="-3.472736"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.782175"
                                 y3="-2.018771"
                                 z3="-2.934427"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.205273"
                                 y3="-1.289176"
                                 z3="-4.129479"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.703207"
                                 y3="-8.166194"
                                 z3="-1.261686"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.295002"
                                 y3="-9.976179"
                                 z3="-3.000282"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.588345"
                                 y3="-0.649265"
                                 z3="-4.551131"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.987578"
                                 y3="-4.617566"
                                 z3="-6.273079"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.759364"
                                 y3="-2.64806"
                                 z3="-3.091703"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.293394"
                                 y3="-2.7411"
                                 z3="-0.067385"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.326796"
                                 y3="-4.129284"
                                 z3="-6.802337"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.928951"
                                 y3="-5.960108"
                                 z3="-0.027888"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.282132"
                                 y3="0.464855"
                                 z3="-2.182571"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.303419"
                                 y3="-6.556621"
                                 z3="-1.750974"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.807165"
                                 y3="-2.535698"
                                 z3="-1.292538"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.899155"
                                 y3="-0.744504"
                                 z3="-3.404752"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.84491"
                                 y3="-3.395794"
                                 z3="-5.418783"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.910582"
                                 y3="-7.105097"
                                 z3="-3.851734"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.876856"
                                 y3="-3.238832"
                                 z3="-1.524295"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.266508"
                                 y3="-6.753491"
                                 z3="-0.004492"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.395459"
                                 y3="-5.208978"
                                 z3="-0.408579"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.527895"
                                 y3="-3.205763"
                                 z3="-0.555216"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.40646"
                                 y3="-5.309696"
                                 z3="-1.641187"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.510452"
                                 y3="-6.954808"
                                 z3="-4.179693"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.073476"
                                 y3="-5.743378"
                                 z3="-5.342974"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4493,-2.7145,-4.4706;-.1949,-2.8284,-4.0477;-.2774,-4.9323,-5.9128;.3862,-2.2697,-6.6961;1.9172,-5.035,-4.1623;2.8681,-7.6351,-5.2528;.8834,-6.1815,-1.7568;.2078,-7.1009,-4.4587;1.9776,-8.5481,-2.7315;3.5625,-6.1778,-2.8826;4.6541,-4.3945,-4.7985;2.3654,-4.0919,-1.4305;3.5799,-10.529,-2.2391;1.143,-10.4354,-.5702;2.0086,.0963,-4.6778;5.064,-4.5227,-2.0544;7.0822,-3.2371,-.2915;3.5585,-4.1813,-3.4329;6.776,-6.3491,-.8121;2.6675,-9.5375,-.7082;2.2046,-7.8838,-.0307;1.3222,-6.8126,-1.1159;4.0689,-2.4019,-2.71;3.6921,-10.2594,.5465;6.367,-3.4095,-3.5705;6.0693,-.7972,-1.1611;1.3683,-1.4766,-2.3247;6.1929,-6.9448,-3.4727;.7822,-2.0188,-2.9344;5.2053,-1.2892,-4.1295;4.7032,-8.1662,-1.2617;3.295,-9.9762,-3.0003;4.5883,-.6493,-4.5511;2.9876,-4.6176,-6.2731;6.7594,-2.6481,-3.0917;4.2934,-2.7411,-.0674;2.3268,-4.1293,-6.8023;3.929,-5.9601,-.0279;3.2821,.4649,-2.1826;5.3034,-6.5566,-1.751;5.8072,-2.5357,-1.2925;2.8992,-.7445,-3.4048;.8449,-3.3958,-5.4188;1.9106,-7.1051,-3.8517;1.8769,-3.2388,-1.5243;3.2665,-6.7535,-.0045;3.3955,-5.209,-.4086;3.5279,-3.2058,-.5552;1.4065,-5.3097,-1.6412;5.5105,-6.9548,-4.1797;-.0735,-5.7434,-5.343;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">38</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">38</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.54980138</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00991698</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00272570</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00991698</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00272570</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04848389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01116973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.453676"
                                 y3="-2.713699"
                                 z3="-4.464866"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.178525"
                                 y3="-2.849492"
                                 z3="-4.024915"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.286791"
                                 y3="-4.929832"
                                 z3="-5.912582"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.383912"
                                 y3="-2.261414"
                                 z3="-6.677812"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.92786"
                                 y3="-5.039911"
                                 z3="-4.180663"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.882419"
                                 y3="-7.640269"
                                 z3="-5.249406"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.885071"
                                 y3="-6.186541"
                                 z3="-1.780396"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.217517"
                                 y3="-7.125518"
                                 z3="-4.479111"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.980136"
                                 y3="-8.550508"
                                 z3="-2.7313"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.566444"
                                 y3="-6.169396"
                                 z3="-2.883635"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.669375"
                                 y3="-4.378525"
                                 z3="-4.79698"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.351037"
                                 y3="-4.095815"
                                 z3="-1.434213"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.577134"
                                 y3="-10.532471"
                                 z3="-2.222688"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.132975"
                                 y3="-10.425878"
                                 z3="-0.566611"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.000749"
                                 y3="0.105347"
                                 z3="-4.666211"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.07854"
                                 y3="-4.522297"
                                 z3="-2.060577"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.093777"
                                 y3="-3.232478"
                                 z3="-0.303324"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.565414"
                                 y3="-4.179378"
                                 z3="-3.437089"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.77126"
                                 y3="-6.347056"
                                 z3="-0.805529"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.657264"
                                 y3="-9.526156"
                                 z3="-0.702166"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.19631"
                                 y3="-7.868728"
                                 z3="-0.034684"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.314845"
                                 y3="-6.819057"
                                 z3="-1.136842"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.062175"
                                 y3="-2.40197"
                                 z3="-2.698155"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.676795"
                                 y3="-10.242574"
                                 z3="0.561512"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.355017"
                                 y3="-3.397518"
                                 z3="-3.584357"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.074289"
                                 y3="-0.794952"
                                 z3="-1.165499"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.366979"
                                 y3="-1.472639"
                                 z3="-2.31439"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.199047"
                                 y3="-6.955531"
                                 z3="-3.471294"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.775243"
                                 y3="-2.01855"
                                 z3="-2.919331"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.208931"
                                 y3="-1.282676"
                                 z3="-4.124571"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.694768"
                                 y3="-8.160003"
                                 z3="-1.268626"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.307899"
                                 y3="-9.983173"
                                 z3="-2.992157"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.58654"
                                 y3="-0.642628"
                                 z3="-4.54047"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.972387"
                                 y3="-4.628017"
                                 z3="-6.279796"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.747588"
                                 y3="-2.634571"
                                 z3="-3.108087"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.312767"
                                 y3="-2.760652"
                                 z3="-0.054111"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.322322"
                                 y3="-4.124184"
                                 z3="-6.808735"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.9219"
                                 y3="-5.946583"
                                 z3="-0.031929"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.278447"
                                 y3="0.465384"
                                 z3="-2.173853"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.305488"
                                 y3="-6.553781"
                                 z3="-1.756633"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.813083"
                                 y3="-2.53301"
                                 z3="-1.297929"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.896854"
                                 y3="-0.741276"
                                 z3="-3.400067"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.846668"
                                 y3="-3.401168"
                                 z3="-5.414037"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.914233"
                                 y3="-7.108962"
                                 z3="-3.85737"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.858985"
                                 y3="-3.244613"
                                 z3="-1.536175"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.258856"
                                 y3="-6.740401"
                                 z3="-0.009905"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.3915"
                                 y3="-5.197048"
                                 z3="-0.421764"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.556258"
                                 y3="-3.234718"
                                 z3="-0.535255"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.419251"
                                 y3="-5.299338"
                                 z3="-1.647701"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.506241"
                                 y3="-7.003292"
                                 z3="-4.166185"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.079189"
                                 y3="-5.747096"
                                 z3="-5.354936"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4537,-2.7137,-4.4649;-.1785,-2.8495,-4.0249;-.2868,-4.9298,-5.9126;.3839,-2.2614,-6.6778;1.9279,-5.0399,-4.1807;2.8824,-7.6403,-5.2494;.8851,-6.1865,-1.7804;.2175,-7.1255,-4.4791;1.9801,-8.5505,-2.7313;3.5664,-6.1694,-2.8836;4.6694,-4.3785,-4.797;2.351,-4.0958,-1.4342;3.5771,-10.5325,-2.2227;1.133,-10.4259,-.5666;2.0007,.1053,-4.6662;5.0785,-4.5223,-2.0606;7.0938,-3.2325,-.3033;3.5654,-4.1794,-3.4371;6.7713,-6.3471,-.8055;2.6573,-9.5262,-.7022;2.1963,-7.8687,-.0347;1.3148,-6.8191,-1.1368;4.0622,-2.402,-2.6982;3.6768,-10.2426,.5615;6.355,-3.3975,-3.5844;6.0743,-.795,-1.1655;1.367,-1.4726,-2.3144;6.199,-6.9555,-3.4713;.7752,-2.0185,-2.9193;5.2089,-1.2827,-4.1246;4.6948,-8.16,-1.2686;3.3079,-9.9832,-2.9922;4.5865,-.6426,-4.5405;2.9724,-4.628,-6.2798;6.7476,-2.6346,-3.1081;4.3128,-2.7607,-.0541;2.3223,-4.1242,-6.8087;3.9219,-5.9466,-.0319;3.2784,.4654,-2.1739;5.3055,-6.5538,-1.7566;5.8131,-2.533,-1.2979;2.8969,-.7413,-3.4001;.8467,-3.4012,-5.414;1.9142,-7.109,-3.8574;1.859,-3.2446,-1.5362;3.2589,-6.7404,-.0099;3.3915,-5.197,-.4218;3.5563,-3.2347,-.5353;1.4193,-5.2993,-1.6477;5.5062,-7.0033,-4.1662;-.0792,-5.7471,-5.3549;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">39</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">39</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55032657</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00850928</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00208132</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00850928</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00208132</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03744476</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00971365</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.455033"
                                 y3="-2.714518"
                                 z3="-4.461258"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.171752"
                                 y3="-2.862934"
                                 z3="-4.013307"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.286651"
                                 y3="-4.928651"
                                 z3="-5.918575"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.384238"
                                 y3="-2.255162"
                                 z3="-6.6691"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.924854"
                                 y3="-5.039871"
                                 z3="-4.178615"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.889267"
                                 y3="-7.637556"
                                 z3="-5.249234"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.876828"
                                 y3="-6.189534"
                                 z3="-1.787456"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.221968"
                                 y3="-7.13392"
                                 z3="-4.486296"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.985026"
                                 y3="-8.552588"
                                 z3="-2.733862"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.564366"
                                 y3="-6.167969"
                                 z3="-2.880204"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.671999"
                                 y3="-4.383364"
                                 z3="-4.794965"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.355214"
                                 y3="-4.105674"
                                 z3="-1.427252"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.579842"
                                 y3="-10.535817"
                                 z3="-2.219142"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.127765"
                                 y3="-10.437173"
                                 z3="-0.579312"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.990815"
                                 y3="0.105613"
                                 z3="-4.649992"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.084577"
                                 y3="-4.523041"
                                 z3="-2.061911"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.115067"
                                 y3="-3.22837"
                                 z3="-0.324208"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.565354"
                                 y3="-4.181299"
                                 z3="-3.43741"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.75905"
                                 y3="-6.343639"
                                 z3="-0.78684"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.650153"
                                 y3="-9.53172"
                                 z3="-0.702123"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.184829"
                                 y3="-7.876049"
                                 z3="-0.035013"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.304486"
                                 y3="-6.821972"
                                 z3="-1.142821"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.065503"
                                 y3="-2.40249"
                                 z3="-2.701837"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.662611"
                                 y3="-10.247142"
                                 z3="0.568708"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.338716"
                                 y3="-3.392128"
                                 z3="-3.608353"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.09896"
                                 y3="-0.791742"
                                 z3="-1.186795"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.366654"
                                 y3="-1.483655"
                                 z3="-2.301775"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.200865"
                                 y3="-6.956649"
                                 z3="-3.453866"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.778916"
                                 y3="-2.033002"
                                 z3="-2.909435"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.20623"
                                 y3="-1.275379"
                                 z3="-4.126665"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.687016"
                                 y3="-8.160685"
                                 z3="-1.259855"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.327575"
                                 y3="-9.981236"
                                 z3="-2.990751"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.581142"
                                 y3="-0.633497"
                                 z3="-4.535978"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.983926"
                                 y3="-4.613491"
                                 z3="-6.273333"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.742917"
                                 y3="-2.634303"
                                 z3="-3.132967"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.330799"
                                 y3="-2.749163"
                                 z3="-0.063279"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.326934"
                                 y3="-4.120985"
                                 z3="-6.805327"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.89929"
                                 y3="-5.94095"
                                 z3="-0.031746"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.2728"
                                 y3="0.460611"
                                 z3="-2.160236"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.297771"
                                 y3="-6.552278"
                                 z3="-1.744856"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.829706"
                                 y3="-2.529116"
                                 z3="-1.312288"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.894396"
                                 y3="-0.742897"
                                 z3="-3.390891"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.849128"
                                 y3="-3.401932"
                                 z3="-5.411909"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.916468"
                                 y3="-7.111397"
                                 z3="-3.859678"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.870281"
                                 y3="-3.249943"
                                 z3="-1.524472"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.2392"
                                 y3="-6.736685"
                                 z3="-0.00984"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.368771"
                                 y3="-5.194038"
                                 z3="-0.430577"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.568935"
                                 y3="-3.197273"
                                 z3="-0.554829"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.421136"
                                 y3="-5.307496"
                                 z3="-1.654193"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.512671"
                                 y3="-7.003113"
                                 z3="-4.153439"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.079926"
                                 y3="-5.747353"
                                 z3="-5.36405"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.455,-2.7145,-4.4613;-.1718,-2.8629,-4.0133;-.2867,-4.9287,-5.9186;.3842,-2.2552,-6.6691;1.9249,-5.0399,-4.1786;2.8893,-7.6376,-5.2492;.8768,-6.1895,-1.7875;.222,-7.1339,-4.4863;1.985,-8.5526,-2.7339;3.5644,-6.168,-2.8802;4.672,-4.3834,-4.795;2.3552,-4.1057,-1.4273;3.5798,-10.5358,-2.2191;1.1278,-10.4372,-.5793;1.9908,.1056,-4.65;5.0846,-4.523,-2.0619;7.1151,-3.2284,-.3242;3.5654,-4.1813,-3.4374;6.7591,-6.3436,-.7868;2.6502,-9.5317,-.7021;2.1848,-7.876,-.035;1.3045,-6.822,-1.1428;4.0655,-2.4025,-2.7018;3.6626,-10.2471,.5687;6.3387,-3.3921,-3.6084;6.099,-.7917,-1.1868;1.3667,-1.4837,-2.3018;6.2009,-6.9566,-3.4539;.7789,-2.033,-2.9094;5.2062,-1.2754,-4.1267;4.687,-8.1607,-1.2599;3.3276,-9.9812,-2.9908;4.5811,-.6335,-4.536;2.9839,-4.6135,-6.2733;6.7429,-2.6343,-3.133;4.3308,-2.7492,-.0633;2.3269,-4.121,-6.8053;3.8993,-5.9409,-.0317;3.2728,.4606,-2.1602;5.2978,-6.5523,-1.7449;5.8297,-2.5291,-1.3123;2.8944,-.7429,-3.3909;.8491,-3.4019,-5.4119;1.9165,-7.1114,-3.8597;1.8703,-3.2499,-1.5245;3.2392,-6.7367,-.0098;3.3688,-5.194,-.4306;3.5689,-3.1973,-.5548;1.4211,-5.3075,-1.6542;5.5127,-7.0031,-4.1534;-.0799,-5.7474,-5.364;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">40</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">40</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55074355</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00847837</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00187812</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00847837</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00187812</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09065836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03076212</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.459647"
                                 y3="-2.716525"
                                 z3="-4.459774"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.156714"
                                 y3="-2.889628"
                                 z3="-4.020395"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.265656"
                                 y3="-4.938015"
                                 z3="-5.955646"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.400623"
                                 y3="-2.252681"
                                 z3="-6.679608"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.89376"
                                 y3="-5.032198"
                                 z3="-4.149013"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.890288"
                                 y3="-7.614701"
                                 z3="-5.26424"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.863119"
                                 y3="-6.198985"
                                 z3="-1.77901"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.225395"
                                 y3="-7.145525"
                                 z3="-4.49825"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.004083"
                                 y3="-8.556957"
                                 z3="-2.746222"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.545959"
                                 y3="-6.164926"
                                 z3="-2.873092"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.660012"
                                 y3="-4.41123"
                                 z3="-4.783749"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.383376"
                                 y3="-4.120799"
                                 z3="-1.396001"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.597479"
                                 y3="-10.538426"
                                 z3="-2.204851"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.117919"
                                 y3="-10.461608"
                                 z3="-0.62093"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.954285"
                                 y3="0.108058"
                                 z3="-4.606073"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.093329"
                                 y3="-4.523111"
                                 z3="-2.063493"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.191112"
                                 y3="-3.216188"
                                 z3="-0.402595"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.549731"
                                 y3="-4.184236"
                                 z3="-3.430746"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.730146"
                                 y3="-6.340287"
                                 z3="-0.754853"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.633619"
                                 y3="-9.538596"
                                 z3="-0.701818"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.155427"
                                 y3="-7.887878"
                                 z3="-0.034654"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.277572"
                                 y3="-6.847124"
                                 z3="-1.140491"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.069868"
                                 y3="-2.39655"
                                 z3="-2.717507"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.619477"
                                 y3="-10.25532"
                                 z3="0.591192"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.283827"
                                 y3="-3.387445"
                                 z3="-3.674101"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.163591"
                                 y3="-0.785804"
                                 z3="-1.253752"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.354211"
                                 y3="-1.52321"
                                 z3="-2.281465"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.172995"
                                 y3="-6.960392"
                                 z3="-3.416682"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.784537"
                                 y3="-2.080638"
                                 z3="-2.904427"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.190093"
                                 y3="-1.247295"
                                 z3="-4.136803"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.659931"
                                 y3="-8.157266"
                                 z3="-1.220025"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.390809"
                                 y3="-9.974119"
                                 z3="-2.982637"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.560062"
                                 y3="-0.593724"
                                 z3="-4.520415"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.060858"
                                 y3="-4.550251"
                                 z3="-6.24016"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.725038"
                                 y3="-2.642535"
                                 z3="-3.20981"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.409342"
                                 y3="-2.747574"
                                 z3="-0.074935"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.367616"
                                 y3="-4.122864"
                                 z3="-6.784381"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.835241"
                                 y3="-5.915898"
                                 z3="-0.032359"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.237094"
                                 y3="0.447425"
                                 z3="-2.118517"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.266169"
                                 y3="-6.544504"
                                 z3="-1.710173"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.87894"
                                 y3="-2.522306"
                                 z3="-1.356638"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.879958"
                                 y3="-0.745415"
                                 z3="-3.366904"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.865026"
                                 y3="-3.407852"
                                 z3="-5.42865"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.918573"
                                 y3="-7.113488"
                                 z3="-3.869291"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.928664"
                                 y3="-3.24627"
                                 z3="-1.465751"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.178782"
                                 y3="-6.715189"
                                 z3="-0.005805"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.303982"
                                 y3="-5.17274"
                                 z3="-0.454562"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.659593"
                                 y3="-3.213194"
                                 z3="-0.555744"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.393276"
                                 y3="-5.338193"
                                 z3="-1.639472"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.49463"
                                 y3="-6.935209"
                                 z3="-4.127158"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.064976"
                                 y3="-5.755227"
                                 z3="-5.400971"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9)27-2(10,11,12,13)29-4(18,19,20,21)31-5(22,23,24,25)30-3(14,15,16,17)28(1)6(27,29,30,31)26;2-1(3,4)5;;/h10-11,14,18-19,22-23H,15H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4596,-2.7165,-4.4598;-.1567,-2.8896,-4.0204;-.2657,-4.938,-5.9556;.4006,-2.2527,-6.6796;1.8938,-5.0322,-4.149;2.8903,-7.6147,-5.2642;.8631,-6.199,-1.779;.2254,-7.1455,-4.4982;2.0041,-8.557,-2.7462;3.546,-6.1649,-2.8731;4.66,-4.4112,-4.7837;2.3834,-4.1208,-1.396;3.5975,-10.5384,-2.2049;1.1179,-10.4616,-.6209;1.9543,.1081,-4.6061;5.0933,-4.5231,-2.0635;7.1911,-3.2162,-.4026;3.5497,-4.1842,-3.4307;6.7301,-6.3403,-.7549;2.6336,-9.5386,-.7018;2.1554,-7.8879,-.0347;1.2776,-6.8471,-1.1405;4.0699,-2.3965,-2.7175;3.6195,-10.2553,.5912;6.2838,-3.3874,-3.6741;6.1636,-.7858,-1.2538;1.3542,-1.5232,-2.2815;6.173,-6.9604,-3.4167;.7845,-2.0806,-2.9044;5.1901,-1.2473,-4.1368;4.6599,-8.1573,-1.22;3.3908,-9.9741,-2.9826;4.5601,-.5937,-4.5204;3.0609,-4.5503,-6.2402;6.725,-2.6425,-3.2098;4.4093,-2.7476,-.0749;2.3676,-4.1229,-6.7844;3.8352,-5.9159,-.0324;3.2371,.4474,-2.1185;5.2662,-6.5445,-1.7102;5.8789,-2.5223,-1.3566;2.88,-.7454,-3.3669;.865,-3.4079,-5.4287;1.9186,-7.1135,-3.8693;1.9287,-3.2463,-1.4658;3.1788,-6.7152,-.0058;3.304,-5.1727,-.4546;3.6596,-3.2132,-.5557;1.3933,-5.3382,-1.6395;5.4946,-6.9352,-4.1272;-.065,-5.7552,-5.401;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,11,5,10,1,16,23;20,13,14,21,24;7;12/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);;/CRV:7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,26.1,27.3,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">41</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">41</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55138797</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00848771</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00208558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00848771</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00208558</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02314318</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00763481</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.462042"
                                 y3="-2.719588"
                                 z3="-4.460934"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.153082"
                                 y3="-2.908822"
                                 z3="-4.016797"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.259071"
                                 y3="-4.946059"
                                 z3="-5.965337"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.386964"
                                 y3="-2.25214"
                                 z3="-6.669622"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.89513"
                                 y3="-5.033869"
                                 z3="-4.153328"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.899817"
                                 y3="-7.617729"
                                 z3="-5.264038"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.846889"
                                 y3="-6.199133"
                                 z3="-1.796125"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.231175"
                                 y3="-7.15103"
                                 z3="-4.516253"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.0075"
                                 y3="-8.557002"
                                 z3="-2.749178"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.544637"
                                 y3="-6.163195"
                                 z3="-2.87172"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.666105"
                                 y3="-4.412991"
                                 z3="-4.780702"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.380533"
                                 y3="-4.12444"
                                 z3="-1.39739"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.598019"
                                 y3="-10.537721"
                                 z3="-2.199217"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.113471"
                                 y3="-10.457292"
                                 z3="-0.621897"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.94868"
                                 y3="0.103521"
                                 z3="-4.596708"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.096542"
                                 y3="-4.523847"
                                 z3="-2.065792"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.209589"
                                 y3="-3.219193"
                                 z3="-0.424712"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.548826"
                                 y3="-4.186781"
                                 z3="-3.432387"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.727049"
                                 y3="-6.342267"
                                 z3="-0.748815"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.628267"
                                 y3="-9.533359"
                                 z3="-0.700549"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.148009"
                                 y3="-7.884181"
                                 z3="-0.033333"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.266144"
                                 y3="-6.837031"
                                 z3="-1.15036"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.067434"
                                 y3="-2.400413"
                                 z3="-2.714242"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.609833"
                                 y3="-10.251487"
                                 z3="0.593957"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.268876"
                                 y3="-3.382459"
                                 z3="-3.689114"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.173026"
                                 y3="-0.786293"
                                 z3="-1.261402"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.354567"
                                 y3="-1.530205"
                                 z3="-2.274923"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.169509"
                                 y3="-6.965212"
                                 z3="-3.412409"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.784015"
                                 y3="-2.08593"
                                 z3="-2.896563"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.188026"
                                 y3="-1.239955"
                                 z3="-4.130149"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.653086"
                                 y3="-8.154151"
                                 z3="-1.217556"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.397579"
                                 y3="-9.972584"
                                 z3="-2.976942"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.555596"
                                 y3="-0.587509"
                                 z3="-4.511606"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.064403"
                                 y3="-4.536963"
                                 z3="-6.25121"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.718827"
                                 y3="-2.642357"
                                 z3="-3.224786"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.432486"
                                 y3="-2.736544"
                                 z3="-0.067438"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.364792"
                                 y3="-4.114962"
                                 z3="-6.790533"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.836115"
                                 y3="-5.918164"
                                 z3="-0.023587"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.233063"
                                 y3="0.440598"
                                 z3="-2.107153"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.264105"
                                 y3="-6.54316"
                                 z3="-1.706869"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.889931"
                                 y3="-2.522501"
                                 z3="-1.36516"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.878023"
                                 y3="-0.748621"
                                 z3="-3.358935"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.865262"
                                 y3="-3.414064"
                                 z3="-5.430614"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.919142"
                                 y3="-7.116081"
                                 z3="-3.874029"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.9374"
                                 y3="-3.243951"
                                 z3="-1.462133"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.174396"
                                 y3="-6.711404"
                                 z3="0.002377"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.304813"
                                 y3="-5.167996"
                                 z3="-0.437869"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.672728"
                                 y3="-3.199738"
                                 z3="-0.534646"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.388761"
                                 y3="-5.337898"
                                 z3="-1.653597"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.488751"
                                 y3="-6.937918"
                                 z3="-4.119846"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.056059"
                                 y3="-5.76254"
                                 z3="-5.411236"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9)27-2(10,11,12,13)29-4(18,19,20,21)31-5(22,23,24,25)30-3(14,15,16,17)28(1)6(27,29,30,31)26;2-1(3,4)5;;/h10-11,14,18-19,22-23H,15H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.462,-2.7196,-4.4609;-.1531,-2.9088,-4.0168;-.2591,-4.9461,-5.9653;.387,-2.2521,-6.6696;1.8951,-5.0339,-4.1533;2.8998,-7.6177,-5.264;.8469,-6.1991,-1.7961;.2312,-7.151,-4.5163;2.0075,-8.557,-2.7492;3.5446,-6.1632,-2.8717;4.6661,-4.413,-4.7807;2.3805,-4.1244,-1.3974;3.598,-10.5377,-2.1992;1.1135,-10.4573,-.6219;1.9487,.1035,-4.5967;5.0965,-4.5238,-2.0658;7.2096,-3.2192,-.4247;3.5488,-4.1868,-3.4324;6.727,-6.3423,-.7488;2.6283,-9.5334,-.7005;2.148,-7.8842,-.0333;1.2661,-6.837,-1.1504;4.0674,-2.4004,-2.7142;3.6098,-10.2515,.594;6.2689,-3.3825,-3.6891;6.173,-.7863,-1.2614;1.3546,-1.5302,-2.2749;6.1695,-6.9652,-3.4124;.784,-2.0859,-2.8966;5.188,-1.24,-4.1301;4.6531,-8.1542,-1.2176;3.3976,-9.9726,-2.9769;4.5556,-.5875,-4.5116;3.0644,-4.537,-6.2512;6.7188,-2.6424,-3.2248;4.4325,-2.7365,-.0674;2.3648,-4.115,-6.7905;3.8361,-5.9182,-.0236;3.2331,.4406,-2.1072;5.2641,-6.5432,-1.7069;5.8899,-2.5225,-1.3652;2.878,-.7486,-3.3589;.8653,-3.4141,-5.4306;1.9191,-7.1161,-3.874;1.9374,-3.244,-1.4621;3.1744,-6.7114,.0024;3.3048,-5.168,-.4379;3.6727,-3.1997,-.5346;1.3888,-5.3379,-1.6536;5.4888,-6.9379,-4.1198;-.0561,-5.7625,-5.4112;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,11,5,10,1,16,23;20,13,14,21,24;7;12/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);;/CRV:7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,26.1,27.3,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">42</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">42</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55161996</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00784448</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00152478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00784448</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00152478</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02379395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00642045</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.467843"
                                 y3="-2.723552"
                                 z3="-4.463357"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.147496"
                                 y3="-2.916645"
                                 z3="-4.018599"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.256067"
                                 y3="-4.948612"
                                 z3="-5.970957"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.382526"
                                 y3="-2.253522"
                                 z3="-6.666913"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.894842"
                                 y3="-5.03693"
                                 z3="-4.155483"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.904571"
                                 y3="-7.612122"
                                 z3="-5.271874"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.846541"
                                 y3="-6.206735"
                                 z3="-1.795681"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.231385"
                                 y3="-7.154797"
                                 z3="-4.519163"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.012038"
                                 y3="-8.55271"
                                 z3="-2.754029"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.545034"
                                 y3="-6.163536"
                                 z3="-2.871923"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.671168"
                                 y3="-4.409812"
                                 z3="-4.772953"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.378606"
                                 y3="-4.120653"
                                 z3="-1.398217"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.591633"
                                 y3="-10.5382"
                                 z3="-2.191866"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.106182"
                                 y3="-10.4365"
                                 z3="-0.617183"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.949715"
                                 y3="0.099079"
                                 z3="-4.601019"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.100189"
                                 y3="-4.525471"
                                 z3="-2.066777"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.209773"
                                 y3="-3.221314"
                                 z3="-0.424516"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.546733"
                                 y3="-4.187249"
                                 z3="-3.4286"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.734788"
                                 y3="-6.352607"
                                 z3="-0.759865"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.624805"
                                 y3="-9.519517"
                                 z3="-0.700471"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.147978"
                                 y3="-7.866979"
                                 z3="-0.03849"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.266078"
                                 y3="-6.844803"
                                 z3="-1.150343"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.059431"
                                 y3="-2.404055"
                                 z3="-2.704114"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.602203"
                                 y3="-10.238805"
                                 z3="0.595798"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.262518"
                                 y3="-3.372303"
                                 z3="-3.696287"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.15948"
                                 y3="-0.788912"
                                 z3="-1.255307"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.357033"
                                 y3="-1.53437"
                                 z3="-2.275091"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.159711"
                                 y3="-6.971461"
                                 z3="-3.424698"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.790642"
                                 y3="-2.093103"
                                 z3="-2.894987"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.188638"
                                 y3="-1.239752"
                                 z3="-4.119644"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.649459"
                                 y3="-8.153051"
                                 z3="-1.220207"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.393715"
                                 y3="-9.977767"
                                 z3="-2.972973"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.555481"
                                 y3="-0.588925"
                                 z3="-4.501965"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.065195"
                                 y3="-4.539374"
                                 z3="-6.255199"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.716984"
                                 y3="-2.640211"
                                 z3="-3.223485"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.432255"
                                 y3="-2.740978"
                                 z3="-0.065435"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.365059"
                                 y3="-4.115425"
                                 z3="-6.791804"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.854732"
                                 y3="-5.919625"
                                 z3="-0.017688"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.225777"
                                 y3="0.434517"
                                 z3="-2.10312"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.266322"
                                 y3="-6.544938"
                                 z3="-1.711278"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.889934"
                                 y3="-2.526626"
                                 z3="-1.36586"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.875952"
                                 y3="-0.751266"
                                 z3="-3.358818"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.866836"
                                 y3="-3.419116"
                                 z3="-5.433904"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.920822"
                                 y3="-7.115415"
                                 z3="-3.880869"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.936668"
                                 y3="-3.239163"
                                 z3="-1.464582"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.183962"
                                 y3="-6.704952"
                                 z3="0.000441"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.328607"
                                 y3="-5.158669"
                                 z3="-0.421716"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.669436"
                                 y3="-3.202665"
                                 z3="-0.52987"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.393936"
                                 y3="-5.344025"
                                 z3="-1.657137"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.465511"
                                 y3="-6.925898"
                                 z3="-4.118937"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.053443"
                                 y3="-5.76509"
                                 z3="-5.416395"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9)27-2(10,11,12,13)29-4(18,19,20,21)31-5(22,23,24,25)30-3(14,15,16,17)28(1)6(27,29,30,31)26;2-1(3,4)5;;/h10-11,14,18-19,22-23H,15H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4678,-2.7236,-4.4634;-.1475,-2.9166,-4.0186;-.2561,-4.9486,-5.971;.3825,-2.2535,-6.6669;1.8948,-5.0369,-4.1555;2.9046,-7.6121,-5.2719;.8465,-6.2067,-1.7957;.2314,-7.1548,-4.5192;2.012,-8.5527,-2.754;3.545,-6.1635,-2.8719;4.6712,-4.4098,-4.773;2.3786,-4.1207,-1.3982;3.5916,-10.5382,-2.1919;1.1062,-10.4365,-.6172;1.9497,.0991,-4.601;5.1002,-4.5255,-2.0668;7.2098,-3.2213,-.4245;3.5467,-4.1872,-3.4286;6.7348,-6.3526,-.7599;2.6248,-9.5195,-.7005;2.148,-7.867,-.0385;1.2661,-6.8448,-1.1503;4.0594,-2.4041,-2.7041;3.6022,-10.2388,.5958;6.2625,-3.3723,-3.6963;6.1595,-.7889,-1.2553;1.357,-1.5344,-2.2751;6.1597,-6.9715,-3.4247;.7906,-2.0931,-2.895;5.1886,-1.2398,-4.1196;4.6495,-8.1531,-1.2202;3.3937,-9.9778,-2.973;4.5555,-.5889,-4.502;3.0652,-4.5394,-6.2552;6.717,-2.6402,-3.2235;4.4323,-2.741,-.0654;2.3651,-4.1154,-6.7918;3.8547,-5.9196,-.0177;3.2258,.4345,-2.1031;5.2663,-6.5449,-1.7113;5.8899,-2.5266,-1.3659;2.876,-.7513,-3.3588;.8668,-3.4191,-5.4339;1.9208,-7.1154,-3.8809;1.9367,-3.2392,-1.4646;3.184,-6.705,.0004;3.3286,-5.1587,-.4217;3.6694,-3.2027,-.5299;1.3939,-5.344,-1.6571;5.4655,-6.9259,-4.1189;-.0534,-5.7651,-5.4164;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,11,5,10,1,16,23;20,13,14,21,24;7;12/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);;/CRV:7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,26.1,27.3,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">43</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">43</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55192066</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00573242</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00126795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00573242</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00126795</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02492615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00777225</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.471243"
                                 y3="-2.728294"
                                 z3="-4.463924"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.141582"
                                 y3="-2.929653"
                                 z3="-4.016246"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.251888"
                                 y3="-4.951662"
                                 z3="-5.981626"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.372944"
                                 y3="-2.251587"
                                 z3="-6.661433"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.890058"
                                 y3="-5.039084"
                                 z3="-4.151762"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.908405"
                                 y3="-7.605435"
                                 z3="-5.27758"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.839283"
                                 y3="-6.207752"
                                 z3="-1.796016"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.230289"
                                 y3="-7.159942"
                                 z3="-4.523232"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.020539"
                                 y3="-8.552442"
                                 z3="-2.760894"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.541466"
                                 y3="-6.164239"
                                 z3="-2.867439"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.672773"
                                 y3="-4.412518"
                                 z3="-4.762449"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.377293"
                                 y3="-4.116599"
                                 z3="-1.394566"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.600214"
                                 y3="-10.537057"
                                 z3="-2.189545"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.1067"
                                 y3="-10.437095"
                                 z3="-0.629068"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.945853"
                                 y3="0.094249"
                                 z3="-4.59954"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.100422"
                                 y3="-4.526494"
                                 z3="-2.065126"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.228339"
                                 y3="-3.220673"
                                 z3="-0.442482"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.540752"
                                 y3="-4.189373"
                                 z3="-3.422015"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.727391"
                                 y3="-6.351891"
                                 z3="-0.746192"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.624486"
                                 y3="-9.517586"
                                 z3="-0.704581"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.1396"
                                 y3="-7.867549"
                                 z3="-0.040143"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.263471"
                                 y3="-6.839928"
                                 z3="-1.147038"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.054683"
                                 y3="-2.406471"
                                 z3="-2.69642"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.596851"
                                 y3="-10.237584"
                                 z3="0.595067"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.244839"
                                 y3="-3.370283"
                                 z3="-3.719091"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.166798"
                                 y3="-0.790035"
                                 z3="-1.268879"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.360456"
                                 y3="-1.544494"
                                 z3="-2.271368"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.155193"
                                 y3="-6.972206"
                                 z3="-3.413988"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.798874"
                                 y3="-2.107245"
                                 z3="-2.889862"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.190089"
                                 y3="-1.23692"
                                 z3="-4.116466"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.64195"
                                 y3="-8.151784"
                                 z3="-1.211386"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.406742"
                                 y3="-9.978727"
                                 z3="-2.973193"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.553372"
                                 y3="-0.588239"
                                 z3="-4.496023"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.078826"
                                 y3="-4.521475"
                                 z3="-6.254164"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.711391"
                                 y3="-2.64795"
                                 z3="-3.241673"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.457181"
                                 y3="-2.739573"
                                 z3="-0.06277"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.368133"
                                 y3="-4.112687"
                                 z3="-6.788666"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.843613"
                                 y3="-5.916719"
                                 z3="-0.015703"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.219244"
                                 y3="0.42752"
                                 z3="-2.097854"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.259802"
                                 y3="-6.542819"
                                 z3="-1.699173"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.904541"
                                 y3="-2.528832"
                                 z3="-1.380356"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.874192"
                                 y3="-0.755128"
                                 z3="-3.357725"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.866803"
                                 y3="-3.422783"
                                 z3="-5.43721"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.920373"
                                 y3="-7.114813"
                                 z3="-3.886838"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.945227"
                                 y3="-3.228986"
                                 z3="-1.459714"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.171337"
                                 y3="-6.701461"
                                 z3="-0.003246"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.318324"
                                 y3="-5.156956"
                                 z3="-0.423578"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.689776"
                                 y3="-3.199871"
                                 z3="-0.520308"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.381233"
                                 y3="-5.343141"
                                 z3="-1.662577"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.456186"
                                 y3="-6.904276"
                                 z3="-4.101916"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.05236"
                                 y3="-5.768067"
                                 z3="-5.42543"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9)27-2(10,11,12,13)29-4(18,19,20,21)31-5(22,23,24,25)30-3(14,15,16,17)28(1)6(27,29,30,31)26;2-1(3,4)5;;/h10-11,14,18-19,22-23H,15H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4712,-2.7283,-4.4639;-.1416,-2.9297,-4.0162;-.2519,-4.9517,-5.9816;.3729,-2.2516,-6.6614;1.8901,-5.0391,-4.1518;2.9084,-7.6054,-5.2776;.8393,-6.2078,-1.796;.2303,-7.1599,-4.5232;2.0205,-8.5524,-2.7609;3.5415,-6.1642,-2.8674;4.6728,-4.4125,-4.7624;2.3773,-4.1166,-1.3946;3.6002,-10.5371,-2.1895;1.1067,-10.4371,-.6291;1.9459,.0942,-4.5995;5.1004,-4.5265,-2.0651;7.2283,-3.2207,-.4425;3.5408,-4.1894,-3.422;6.7274,-6.3519,-.7462;2.6245,-9.5176,-.7046;2.1396,-7.8675,-.0401;1.2635,-6.8399,-1.147;4.0547,-2.4065,-2.6964;3.5969,-10.2376,.5951;6.2448,-3.3703,-3.7191;6.1668,-.79,-1.2689;1.3605,-1.5445,-2.2714;6.1552,-6.9722,-3.414;.7989,-2.1072,-2.8899;5.1901,-1.2369,-4.1165;4.6419,-8.1518,-1.2114;3.4067,-9.9787,-2.9732;4.5534,-.5882,-4.496;3.0788,-4.5215,-6.2542;6.7114,-2.6479,-3.2417;4.4572,-2.7396,-.0628;2.3681,-4.1127,-6.7887;3.8436,-5.9167,-.0157;3.2192,.4275,-2.0979;5.2598,-6.5428,-1.6992;5.9045,-2.5288,-1.3804;2.8742,-.7551,-3.3577;.8668,-3.4228,-5.4372;1.9204,-7.1148,-3.8868;1.9452,-3.229,-1.4597;3.1713,-6.7015,-.0032;3.3183,-5.157,-.4236;3.6898,-3.1999,-.5203;1.3812,-5.3431,-1.6626;5.4562,-6.9043,-4.1019;-.0524,-5.7681,-5.4254;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,11,5,10,1,16,23;20,13,14,21,24;7;12/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);;/CRV:7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,26.1,27.3,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">44</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">44</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55203562</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00355223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00107469</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00355223</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00107469</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03645972</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01189373</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.469972"
                                 y3="-2.733607"
                                 z3="-4.45871"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.139492"
                                 y3="-2.949074"
                                 z3="-4.007562"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.242803"
                                 y3="-4.95592"
                                 z3="-5.994896"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.358154"
                                 y3="-2.244176"
                                 z3="-6.646536"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.888688"
                                 y3="-5.043012"
                                 z3="-4.148788"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.918377"
                                 y3="-7.596914"
                                 z3="-5.287718"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.82776"
                                 y3="-6.213256"
                                 z3="-1.799765"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.236309"
                                 y3="-7.166724"
                                 z3="-4.536736"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.030096"
                                 y3="-8.553009"
                                 z3="-2.772507"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.54058"
                                 y3="-6.166429"
                                 z3="-2.862977"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.676669"
                                 y3="-4.413733"
                                 z3="-4.752491"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.378823"
                                 y3="-4.122072"
                                 z3="-1.389153"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.603442"
                                 y3="-10.535821"
                                 z3="-2.180643"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.098797"
                                 y3="-10.43156"
                                 z3="-0.642653"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.936122"
                                 y3="0.086801"
                                 z3="-4.58882"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.103936"
                                 y3="-4.529089"
                                 z3="-2.064783"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.258841"
                                 y3="-3.211972"
                                 z3="-0.472506"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.536279"
                                 y3="-4.193145"
                                 z3="-3.41598"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.717082"
                                 y3="-6.349613"
                                 z3="-0.721741"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.61762"
                                 y3="-9.512398"
                                 z3="-0.70628"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.123115"
                                 y3="-7.862373"
                                 z3="-0.046627"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.246211"
                                 y3="-6.852323"
                                 z3="-1.152766"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.050745"
                                 y3="-2.410607"
                                 z3="-2.689403"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.579558"
                                 y3="-10.22909"
                                 z3="0.602853"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.223625"
                                 y3="-3.371324"
                                 z3="-3.75014"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.179791"
                                 y3="-0.788052"
                                 z3="-1.295784"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.365472"
                                 y3="-1.563919"
                                 z3="-2.260172"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.157537"
                                 y3="-6.973515"
                                 z3="-3.392634"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.805163"
                                 y3="-2.129596"
                                 z3="-2.87585"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.187567"
                                 y3="-1.235282"
                                 z3="-4.113817"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.632714"
                                 y3="-8.150243"
                                 z3="-1.197815"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.413854"
                                 y3="-9.981075"
                                 z3="-2.967905"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.544868"
                                 y3="-0.59011"
                                 z3="-4.488931"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.096093"
                                 y3="-4.490117"
                                 z3="-6.25026"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.703121"
                                 y3="-2.65815"
                                 z3="-3.269838"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.49364"
                                 y3="-2.735607"
                                 z3="-0.064007"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.37299"
                                 y3="-4.100056"
                                 z3="-6.782513"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.827179"
                                 y3="-5.907082"
                                 z3="-0.020147"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.212451"
                                 y3="0.419629"
                                 z3="-2.088104"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.253912"
                                 y3="-6.539854"
                                 z3="-1.681381"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.925834"
                                 y3="-2.528521"
                                 z3="-1.403269"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.868943"
                                 y3="-0.761898"
                                 z3="-3.34964"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.865207"
                                 y3="-3.423681"
                                 z3="-5.435391"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.925136"
                                 y3="-7.115864"
                                 z3="-3.897681"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.957505"
                                 y3="-3.229524"
                                 z3="-1.453568"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.154063"
                                 y3="-6.690733"
                                 z3="-0.011644"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.304541"
                                 y3="-5.148582"
                                 z3="-0.435047"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.720525"
                                 y3="-3.190177"
                                 z3="-0.514534"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.367389"
                                 y3="-5.351941"
                                 z3="-1.665771"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.462412"
                                 y3="-6.877546"
                                 z3="-4.081448"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.044688"
                                 y3="-5.772674"
                                 z3="-5.438929"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9)27-2(10,11,12,13)29-4(18,19,20,21)31-5(22,23,24,25)30-3(14,15,16,17)28(1)6(27,29,30,31)26;2-1(3,4)5;;/h10-11,14,18-19,22-23H,15H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1O3O1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.47,-2.7336,-4.4587;-.1395,-2.9491,-4.0076;-.2428,-4.9559,-5.9949;.3582,-2.2442,-6.6465;1.8887,-5.043,-4.1488;2.9184,-7.5969,-5.2877;.8278,-6.2133,-1.7998;.2363,-7.1667,-4.5367;2.0301,-8.553,-2.7725;3.5406,-6.1664,-2.863;4.6767,-4.4137,-4.7525;2.3788,-4.1221,-1.3892;3.6034,-10.5358,-2.1806;1.0988,-10.4316,-.6427;1.9361,.0868,-4.5888;5.1039,-4.5291,-2.0648;7.2588,-3.212,-.4725;3.5363,-4.1931,-3.416;6.7171,-6.3496,-.7217;2.6176,-9.5124,-.7063;2.1231,-7.8624,-.0466;1.2462,-6.8523,-1.1528;4.0507,-2.4106,-2.6894;3.5796,-10.2291,.6029;6.2236,-3.3713,-3.7501;6.1798,-.7881,-1.2958;1.3655,-1.5639,-2.2602;6.1575,-6.9735,-3.3926;.8052,-2.1296,-2.8758;5.1876,-1.2353,-4.1138;4.6327,-8.1502,-1.1978;3.4139,-9.9811,-2.9679;4.5449,-.5901,-4.4889;3.0961,-4.4901,-6.2503;6.7031,-2.6582,-3.2698;4.4936,-2.7356,-.064;2.373,-4.1001,-6.7825;3.8272,-5.9071,-.0201;3.2125,.4196,-2.0881;5.2539,-6.5399,-1.6814;5.9258,-2.5285,-1.4033;2.8689,-.7619,-3.3496;.8652,-3.4237,-5.4354;1.9251,-7.1159,-3.8977;1.9575,-3.2295,-1.4536;3.1541,-6.6907,-.0116;3.3045,-5.1486,-.435;3.7205,-3.1902,-.5145;1.3674,-5.3519,-1.6658;5.4624,-6.8775,-4.0814;-.0447,-5.7727,-5.4389;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,11,5,10,1,16,23;20,13,14,21,24;7;12/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);;/CRV:7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,26.1,27.3,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">45</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">45</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55199005</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00333765</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00097800</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00333765</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00097800</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01810572</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00557374</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.468339"
                                 y3="-2.735812"
                                 z3="-4.455916"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.139943"
                                 y3="-2.954078"
                                 z3="-4.003654"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.240533"
                                 y3="-4.955338"
                                 z3="-6.000322"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.352676"
                                 y3="-2.239375"
                                 z3="-6.642247"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.890428"
                                 y3="-5.046156"
                                 z3="-4.14826"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.918914"
                                 y3="-7.597952"
                                 z3="-5.292175"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.819416"
                                 y3="-6.2126"
                                 z3="-1.80096"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.237211"
                                 y3="-7.167937"
                                 z3="-4.538787"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.033939"
                                 y3="-8.553543"
                                 z3="-2.776625"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.541121"
                                 y3="-6.169342"
                                 z3="-2.861278"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.679195"
                                 y3="-4.411346"
                                 z3="-4.747086"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.37816"
                                 y3="-4.122017"
                                 z3="-1.388395"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.608737"
                                 y3="-10.533703"
                                 z3="-2.179662"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.098035"
                                 y3="-10.432623"
                                 z3="-0.651338"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.930055"
                                 y3="0.081788"
                                 z3="-4.585286"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.104612"
                                 y3="-4.530444"
                                 z3="-2.06071"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.27309"
                                 y3="-3.205024"
                                 z3="-0.48414"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.534932"
                                 y3="-4.194959"
                                 z3="-3.411534"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.711715"
                                 y3="-6.351127"
                                 z3="-0.705692"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.617375"
                                 y3="-9.513331"
                                 z3="-0.708147"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.116575"
                                 y3="-7.865151"
                                 z3="-0.045793"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.243098"
                                 y3="-6.848012"
                                 z3="-1.153283"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.049975"
                                 y3="-2.412574"
                                 z3="-2.684211"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.575844"
                                 y3="-10.23009"
                                 z3="0.603954"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.214135"
                                 y3="-3.375857"
                                 z3="-3.763185"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.184462"
                                 y3="-0.787314"
                                 z3="-1.308382"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.366561"
                                 y3="-1.571566"
                                 z3="-2.256743"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.162063"
                                 y3="-6.972052"
                                 z3="-3.380619"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.805565"
                                 y3="-2.138925"
                                 z3="-2.870798"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.18759"
                                 y3="-1.237075"
                                 z3="-4.118314"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.62952"
                                 y3="-8.151334"
                                 z3="-1.19088"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.416438"
                                 y3="-9.97913"
                                 z3="-2.967034"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.541286"
                                 y3="-0.593885"
                                 z3="-4.490759"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.104424"
                                 y3="-4.472011"
                                 z3="-6.246547"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.699038"
                                 y3="-2.666609"
                                 z3="-3.280965"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.509164"
                                 y3="-2.737285"
                                 z3="-0.063013"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.375192"
                                 y3="-4.093188"
                                 z3="-6.779075"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.818655"
                                 y3="-5.904759"
                                 z3="-0.022864"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.212303"
                                 y3="0.418481"
                                 z3="-2.088876"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.252483"
                                 y3="-6.539335"
                                 z3="-1.671096"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.934884"
                                 y3="-2.528879"
                                 z3="-1.413228"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.867448"
                                 y3="-0.76531"
                                 z3="-3.348622"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.862984"
                                 y3="-3.421815"
                                 z3="-5.435067"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.92707"
                                 y3="-7.115977"
                                 z3="-3.902087"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.958355"
                                 y3="-3.227902"
                                 z3="-1.454651"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.147683"
                                 y3="-6.690621"
                                 z3="-0.01511"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.295476"
                                 y3="-5.147416"
                                 z3="-0.441398"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.735713"
                                 y3="-3.187801"
                                 z3="-0.513581"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.35641"
                                 y3="-5.353839"
                                 z3="-1.666471"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.46985"
                                 y3="-6.859818"
                                 z3="-4.069794"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.045996"
                                 y3="-5.772642"
                                 z3="-5.4427"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4683,-2.7358,-4.4559;-.1399,-2.9541,-4.0037;-.2405,-4.9553,-6.0003;.3527,-2.2394,-6.6422;1.8904,-5.0462,-4.1483;2.9189,-7.598,-5.2922;.8194,-6.2126,-1.801;.2372,-7.1679,-4.5388;2.0339,-8.5535,-2.7766;3.5411,-6.1693,-2.8613;4.6792,-4.4113,-4.7471;2.3782,-4.122,-1.3884;3.6087,-10.5337,-2.1797;1.098,-10.4326,-.6513;1.9301,.0818,-4.5853;5.1046,-4.5304,-2.0607;7.2731,-3.205,-.4841;3.5349,-4.195,-3.4115;6.7117,-6.3511,-.7057;2.6174,-9.5133,-.7081;2.1166,-7.8652,-.0458;1.2431,-6.848,-1.1533;4.05,-2.4126,-2.6842;3.5758,-10.2301,.604;6.2141,-3.3759,-3.7632;6.1845,-.7873,-1.3084;1.3666,-1.5716,-2.2567;6.1621,-6.9721,-3.3806;.8056,-2.1389,-2.8708;5.1876,-1.2371,-4.1183;4.6295,-8.1513,-1.1909;3.4164,-9.9791,-2.967;4.5413,-.5939,-4.4908;3.1044,-4.472,-6.2465;6.699,-2.6666,-3.281;4.5092,-2.7373,-.063;2.3752,-4.0932,-6.7791;3.8187,-5.9048,-.0229;3.2123,.4185,-2.0889;5.2525,-6.5393,-1.6711;5.9349,-2.5289,-1.4132;2.8674,-.7653,-3.3486;.863,-3.4218,-5.4351;1.9271,-7.116,-3.9021;1.9584,-3.2279,-1.4547;3.1477,-6.6906,-.0151;3.2955,-5.1474,-.4414;3.7357,-3.1878,-.5136;1.3564,-5.3538,-1.6665;5.4699,-6.8598,-4.0698;-.046,-5.7726,-5.4427;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">46</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">46</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55195692</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00335468</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00088163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00335468</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00088163</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02689838</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00806116</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.463102"
                                 y3="-2.737657"
                                 z3="-4.449025"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.143049"
                                 y3="-2.964061"
                                 z3="-3.990936"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.238359"
                                 y3="-4.953974"
                                 z3="-6.001554"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.342544"
                                 y3="-2.230873"
                                 z3="-6.628234"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.901361"
                                 y3="-5.052014"
                                 z3="-4.153603"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.926169"
                                 y3="-7.604663"
                                 z3="-5.295128"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.81259"
                                 y3="-6.212318"
                                 z3="-1.809852"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.245015"
                                 y3="-7.1701"
                                 z3="-4.550855"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.034667"
                                 y3="-8.557218"
                                 z3="-2.781153"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.545752"
                                 y3="-6.172644"
                                 z3="-2.861586"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.686356"
                                 y3="-4.403914"
                                 z3="-4.74516"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.376186"
                                 y3="-4.126817"
                                 z3="-1.391336"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.609019"
                                 y3="-10.532507"
                                 z3="-2.175261"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.092573"
                                 y3="-10.432638"
                                 z3="-0.655873"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.921114"
                                 y3="0.07502"
                                 z3="-4.574523"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.107635"
                                 y3="-4.533069"
                                 z3="-2.05604"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.292818"
                                 y3="-3.19588"
                                 z3="-0.505158"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.538084"
                                 y3="-4.198432"
                                 z3="-3.410322"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.704315"
                                 y3="-6.353158"
                                 z3="-0.678794"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.612384"
                                 y3="-9.513429"
                                 z3="-0.706749"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.105844"
                                 y3="-7.865317"
                                 z3="-0.048169"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.235454"
                                 y3="-6.848956"
                                 z3="-1.162947"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.050015"
                                 y3="-2.416363"
                                 z3="-2.678741"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.566201"
                                 y3="-10.228806"
                                 z3="0.609769"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.203294"
                                 y3="-3.379122"
                                 z3="-3.777676"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.190758"
                                 y3="-0.784463"
                                 z3="-1.326376"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.365942"
                                 y3="-1.578603"
                                 z3="-2.249155"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.176859"
                                 y3="-6.973913"
                                 z3="-3.360697"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.800172"
                                 y3="-2.144509"
                                 z3="-2.86182"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.183642"
                                 y3="-1.241051"
                                 z3="-4.124587"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.623952"
                                 y3="-8.150117"
                                 z3="-1.184083"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.410131"
                                 y3="-9.9785"
                                 z3="-2.962013"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.533309"
                                 y3="-0.599219"
                                 z3="-4.492675"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.105894"
                                 y3="-4.448005"
                                 z3="-6.248294"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.692424"
                                 y3="-2.672187"
                                 z3="-3.295119"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.528643"
                                 y3="-2.736352"
                                 z3="-0.062111"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.371849"
                                 y3="-4.076429"
                                 z3="-6.779366"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.808764"
                                 y3="-5.900785"
                                 z3="-0.028805"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.214642"
                                 y3="0.418224"
                                 z3="-2.087016"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.254944"
                                 y3="-6.538937"
                                 z3="-1.659281"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.944406"
                                 y3="-2.526865"
                                 z3="-1.424871"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.864791"
                                 y3="-0.7702"
                                 z3="-3.341678"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.858459"
                                 y3="-3.41845"
                                 z3="-5.428986"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.932932"
                                 y3="-7.119542"
                                 z3="-3.907902"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.958499"
                                 y3="-3.23123"
                                 z3="-1.458554"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.141141"
                                 y3="-6.688244"
                                 z3="-0.018122"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.283475"
                                 y3="-5.145107"
                                 z3="-0.452076"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.753794"
                                 y3="-3.178882"
                                 z3="-0.512822"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.348592"
                                 y3="-5.352851"
                                 z3="-1.67327"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.493633"
                                 y3="-6.856018"
                                 z3="-4.057227"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.041009"
                                 y3="-5.773469"
                                 z3="-5.447591"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4631,-2.7377,-4.449;-.143,-2.9641,-3.9909;-.2384,-4.954,-6.0016;.3425,-2.2309,-6.6282;1.9014,-5.052,-4.1536;2.9262,-7.6047,-5.2951;.8126,-6.2123,-1.8099;.245,-7.1701,-4.5509;2.0347,-8.5572,-2.7812;3.5458,-6.1726,-2.8616;4.6864,-4.4039,-4.7452;2.3762,-4.1268,-1.3913;3.609,-10.5325,-2.1753;1.0926,-10.4326,-.6559;1.9211,.075,-4.5745;5.1076,-4.5331,-2.056;7.2928,-3.1959,-.5052;3.5381,-4.1984,-3.4103;6.7043,-6.3532,-.6788;2.6124,-9.5134,-.7067;2.1058,-7.8653,-.0482;1.2355,-6.849,-1.1629;4.05,-2.4164,-2.6787;3.5662,-10.2288,.6098;6.2033,-3.3791,-3.7777;6.1908,-.7845,-1.3264;1.3659,-1.5786,-2.2492;6.1769,-6.9739,-3.3607;.8002,-2.1445,-2.8618;5.1836,-1.2411,-4.1246;4.624,-8.1501,-1.1841;3.4101,-9.9785,-2.962;4.5333,-.5992,-4.4927;3.1059,-4.448,-6.2483;6.6924,-2.6722,-3.2951;4.5286,-2.7364,-.0621;2.3718,-4.0764,-6.7794;3.8088,-5.9008,-.0288;3.2146,.4182,-2.087;5.2549,-6.5389,-1.6593;5.9444,-2.5269,-1.4249;2.8648,-.7702,-3.3417;.8585,-3.4184,-5.429;1.9329,-7.1195,-3.9079;1.9585,-3.2312,-1.4586;3.1411,-6.6882,-.0181;3.2835,-5.1451,-.4521;3.7538,-3.1789,-.5128;1.3486,-5.3529,-1.6733;5.4936,-6.856,-4.0572;-.041,-5.7735,-5.4476;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">47</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">47</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55202195</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00365226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077509</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00365226</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077509</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01734750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00528236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.458978"
                                 y3="-2.738242"
                                 z3="-4.44481"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.144923"
                                 y3="-2.966227"
                                 z3="-3.984614"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.239283"
                                 y3="-4.950951"
                                 z3="-5.998649"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.339387"
                                 y3="-2.224697"
                                 z3="-6.621893"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.912132"
                                 y3="-5.056995"
                                 z3="-4.162444"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.931743"
                                 y3="-7.614725"
                                 z3="-5.298431"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.808664"
                                 y3="-6.213151"
                                 z3="-1.818257"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.252712"
                                 y3="-7.170868"
                                 z3="-4.560561"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.033418"
                                 y3="-8.559089"
                                 z3="-2.782526"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.551585"
                                 y3="-6.175522"
                                 z3="-2.866008"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.693114"
                                 y3="-4.39557"
                                 z3="-4.746902"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.37615"
                                 y3="-4.131229"
                                 z3="-1.39717"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.607153"
                                 y3="-10.532896"
                                 z3="-2.166952"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.085922"
                                 y3="-10.428248"
                                 z3="-0.654385"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.913304"
                                 y3="0.070619"
                                 z3="-4.564008"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.110442"
                                 y3="-4.536426"
                                 z3="-2.053603"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.302197"
                                 y3="-3.19323"
                                 z3="-0.517571"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.54251"
                                 y3="-4.201141"
                                 z3="-3.412482"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.703135"
                                 y3="-6.360059"
                                 z3="-0.664906"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.606632"
                                 y3="-9.510443"
                                 z3="-0.702324"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.099671"
                                 y3="-7.860474"
                                 z3="-0.050492"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.232714"
                                 y3="-6.848844"
                                 z3="-1.171619"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.050306"
                                 y3="-2.419505"
                                 z3="-2.676216"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.555797"
                                 y3="-10.22341"
                                 z3="0.618901"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.196329"
                                 y3="-3.377546"
                                 z3="-3.7846"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.190595"
                                 y3="-0.784663"
                                 z3="-1.333272"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.363265"
                                 y3="-1.581438"
                                 z3="-2.242231"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.187067"
                                 y3="-6.978056"
                                 z3="-3.352349"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.793922"
                                 y3="-2.144444"
                                 z3="-2.855647"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.178178"
                                 y3="-1.243166"
                                 z3="-4.1282"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.619462"
                                 y3="-8.148167"
                                 z3="-1.18181"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.405936"
                                 y3="-9.97956"
                                 z3="-2.953803"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.526172"
                                 y3="-0.601409"
                                 z3="-4.493447"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.101539"
                                 y3="-4.437081"
                                 z3="-6.252639"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.688197"
                                 y3="-2.673251"
                                 z3="-3.300787"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.536212"
                                 y3="-2.738918"
                                 z3="-0.059418"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.367438"
                                 y3="-4.065602"
                                 z3="-6.783443"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.809717"
                                 y3="-5.898436"
                                 z3="-0.032515"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.215963"
                                 y3="0.417526"
                                 z3="-2.08353"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.260309"
                                 y3="-6.540391"
                                 z3="-1.656002"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.946244"
                                 y3="-2.527207"
                                 z3="-1.428623"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.862124"
                                 y3="-0.773608"
                                 z3="-3.334769"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.855573"
                                 y3="-3.414989"
                                 z3="-5.426412"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.939348"
                                 y3="-7.123489"
                                 z3="-3.913189"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.957979"
                                 y3="-3.235678"
                                 z3="-1.462983"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.14331"
                                 y3="-6.685402"
                                 z3="-0.01764"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.282844"
                                 y3="-5.141307"
                                 z3="-0.455692"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.759998"
                                 y3="-3.176362"
                                 z3="-0.510513"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.347227"
                                 y3="-5.354835"
                                 z3="-1.679986"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.51098"
                                 y3="-6.85427"
                                 z3="-4.054385"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.037668"
                                 y3="-5.771538"
                                 z3="-5.447602"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.459,-2.7382,-4.4448;-.1449,-2.9662,-3.9846;-.2393,-4.951,-5.9986;.3394,-2.2247,-6.6219;1.9121,-5.057,-4.1624;2.9317,-7.6147,-5.2984;.8087,-6.2132,-1.8183;.2527,-7.1709,-4.5606;2.0334,-8.5591,-2.7825;3.5516,-6.1755,-2.866;4.6931,-4.3956,-4.7469;2.3761,-4.1312,-1.3972;3.6072,-10.5329,-2.167;1.0859,-10.4282,-.6544;1.9133,.0706,-4.564;5.1104,-4.5364,-2.0536;7.3022,-3.1932,-.5176;3.5425,-4.2011,-3.4125;6.7031,-6.3601,-.6649;2.6066,-9.5104,-.7023;2.0997,-7.8605,-.0505;1.2327,-6.8488,-1.1716;4.0503,-2.4195,-2.6762;3.5558,-10.2234,.6189;6.1963,-3.3775,-3.7846;6.1906,-.7847,-1.3333;1.3633,-1.5814,-2.2422;6.1871,-6.9781,-3.3523;.7939,-2.1444,-2.8556;5.1782,-1.2432,-4.1282;4.6195,-8.1482,-1.1818;3.4059,-9.9796,-2.9538;4.5262,-.6014,-4.4934;3.1015,-4.4371,-6.2526;6.6882,-2.6733,-3.3008;4.5362,-2.7389,-.0594;2.3674,-4.0656,-6.7834;3.8097,-5.8984,-.0325;3.216,.4175,-2.0835;5.2603,-6.5404,-1.656;5.9462,-2.5272,-1.4286;2.8621,-.7736,-3.3348;.8556,-3.415,-5.4264;1.9393,-7.1235,-3.9132;1.958,-3.2357,-1.463;3.1433,-6.6854,-.0176;3.2828,-5.1413,-.4557;3.76,-3.1764,-.5105;1.3472,-5.3548,-1.68;5.511,-6.8543,-4.0544;-.0377,-5.7715,-5.4476;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">48</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">48</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55214595</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00338629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00065836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00338629</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00065836</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01263371</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00443956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.457244"
                                 y3="-2.739498"
                                 z3="-4.442758"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.144057"
                                 y3="-2.969013"
                                 z3="-3.979446"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.240444"
                                 y3="-4.948683"
                                 z3="-5.995717"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.336192"
                                 y3="-2.220207"
                                 z3="-6.616581"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.919963"
                                 y3="-5.06129"
                                 z3="-4.17094"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.938773"
                                 y3="-7.624217"
                                 z3="-5.299475"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.805196"
                                 y3="-6.212962"
                                 z3="-1.826103"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.259339"
                                 y3="-7.171669"
                                 z3="-4.569542"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.033022"
                                 y3="-8.559798"
                                 z3="-2.782301"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.555406"
                                 y3="-6.177009"
                                 z3="-2.870773"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.699449"
                                 y3="-4.389112"
                                 z3="-4.747536"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.37594"
                                 y3="-4.133683"
                                 z3="-1.402691"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.604819"
                                 y3="-10.533995"
                                 z3="-2.160036"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.081251"
                                 y3="-10.425187"
                                 z3="-0.651936"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.907929"
                                 y3="0.067589"
                                 z3="-4.555935"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.112504"
                                 y3="-4.539644"
                                 z3="-2.052869"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.308888"
                                 y3="-3.196568"
                                 z3="-0.530205"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.545305"
                                 y3="-4.203655"
                                 z3="-3.414866"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.70095"
                                 y3="-6.365298"
                                 z3="-0.653796"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.602138"
                                 y3="-9.507677"
                                 z3="-0.697616"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.095965"
                                 y3="-7.856671"
                                 z3="-0.051388"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.22739"
                                 y3="-6.847748"
                                 z3="-1.177507"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.049846"
                                 y3="-2.421956"
                                 z3="-2.674701"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.547896"
                                 y3="-10.219141"
                                 z3="0.626683"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.187739"
                                 y3="-3.369713"
                                 z3="-3.794965"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.192145"
                                 y3="-0.786631"
                                 z3="-1.33624"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.360808"
                                 y3="-1.583922"
                                 z3="-2.236209"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.194066"
                                 y3="-6.981849"
                                 z3="-3.346424"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.792306"
                                 y3="-2.145588"
                                 z3="-2.851902"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.174016"
                                 y3="-1.242317"
                                 z3="-4.127657"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.614487"
                                 y3="-8.145397"
                                 z3="-1.180438"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.405125"
                                 y3="-9.981119"
                                 z3="-2.947275"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.521238"
                                 y3="-0.600548"
                                 z3="-4.4913"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.097161"
                                 y3="-4.430594"
                                 z3="-6.256279"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.685301"
                                 y3="-2.672166"
                                 z3="-3.307122"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.542711"
                                 y3="-2.741878"
                                 z3="-0.057926"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.363264"
                                 y3="-4.058598"
                                 z3="-6.786713"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.809878"
                                 y3="-5.895038"
                                 z3="-0.033916"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.214348"
                                 y3="0.414453"
                                 z3="-2.077625"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.263712"
                                 y3="-6.541075"
                                 z3="-1.653672"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.947886"
                                 y3="-2.528868"
                                 z3="-1.43228"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.859863"
                                 y3="-0.776231"
                                 z3="-3.328949"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.853513"
                                 y3="-3.413279"
                                 z3="-5.425072"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.944284"
                                 y3="-7.127387"
                                 z3="-3.917329"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.961227"
                                 y3="-3.236387"
                                 z3="-1.464962"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.144836"
                                 y3="-6.681465"
                                 z3="-0.015473"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.280918"
                                 y3="-5.138571"
                                 z3="-0.458802"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.765275"
                                 y3="-3.177052"
                                 z3="-0.508248"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.345324"
                                 y3="-5.354283"
                                 z3="-1.688236"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.522962"
                                 y3="-6.851408"
                                 z3="-4.051907"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.033576"
                                 y3="-5.770605"
                                 z3="-5.448449"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4572,-2.7395,-4.4428;-.1441,-2.969,-3.9794;-.2404,-4.9487,-5.9957;.3362,-2.2202,-6.6166;1.92,-5.0613,-4.1709;2.9388,-7.6242,-5.2995;.8052,-6.213,-1.8261;.2593,-7.1717,-4.5695;2.033,-8.5598,-2.7823;3.5554,-6.177,-2.8708;4.6994,-4.3891,-4.7475;2.3759,-4.1337,-1.4027;3.6048,-10.534,-2.16;1.0813,-10.4252,-.6519;1.9079,.0676,-4.5559;5.1125,-4.5396,-2.0529;7.3089,-3.1966,-.5302;3.5453,-4.2037,-3.4149;6.7009,-6.3653,-.6538;2.6021,-9.5077,-.6976;2.096,-7.8567,-.0514;1.2274,-6.8477,-1.1775;4.0498,-2.422,-2.6747;3.5479,-10.2191,.6267;6.1877,-3.3697,-3.795;6.1921,-.7866,-1.3362;1.3608,-1.5839,-2.2362;6.1941,-6.9818,-3.3464;.7923,-2.1456,-2.8519;5.174,-1.2423,-4.1277;4.6145,-8.1454,-1.1804;3.4051,-9.9811,-2.9473;4.5212,-.6005,-4.4913;3.0972,-4.4306,-6.2563;6.6853,-2.6722,-3.3071;4.5427,-2.7419,-.0579;2.3633,-4.0586,-6.7867;3.8099,-5.895,-.0339;3.2143,.4145,-2.0776;5.2637,-6.5411,-1.6537;5.9479,-2.5289,-1.4323;2.8599,-.7762,-3.3289;.8535,-3.4133,-5.4251;1.9443,-7.1274,-3.9173;1.9612,-3.2364,-1.465;3.1448,-6.6815,-.0155;3.2809,-5.1386,-.4588;3.7653,-3.1771,-.5082;1.3453,-5.3543,-1.6882;5.523,-6.8514,-4.0519;-.0336,-5.7706,-5.4484;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">49</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">49</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55218947</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00236054</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00061494</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00236054</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00061494</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00948229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00372201</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.456344"
                                 y3="-2.7410"
                                 z3="-4.44122"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.142664"
                                 y3="-2.970891"
                                 z3="-3.974281"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.244235"
                                 y3="-4.946822"
                                 z3="-5.990772"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.330798"
                                 y3="-2.216367"
                                 z3="-6.610869"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.926049"
                                 y3="-5.065151"
                                 z3="-4.180423"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.945181"
                                 y3="-7.633406"
                                 z3="-5.300631"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.80451"
                                 y3="-6.21286"
                                 z3="-1.831082"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.265423"
                                 y3="-7.174073"
                                 z3="-4.576844"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.03361"
                                 y3="-8.559043"
                                 z3="-2.781329"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.5587"
                                 y3="-6.177809"
                                 z3="-2.876595"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.706047"
                                 y3="-4.383243"
                                 z3="-4.747615"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.376714"
                                 y3="-4.13461"
                                 z3="-1.409234"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.603602"
                                 y3="-10.535199"
                                 z3="-2.153423"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.077876"
                                 y3="-10.422323"
                                 z3="-0.65077"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.905358"
                                 y3="0.066494"
                                 z3="-4.551868"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.113805"
                                 y3="-4.542826"
                                 z3="-2.05314"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.308665"
                                 y3="-3.203275"
                                 z3="-0.535837"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.547583"
                                 y3="-4.205832"
                                 z3="-3.417479"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.699488"
                                 y3="-6.369316"
                                 z3="-0.646529"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.598703"
                                 y3="-9.504563"
                                 z3="-0.693255"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.092733"
                                 y3="-7.852854"
                                 z3="-0.05253"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.22635"
                                 y3="-6.845711"
                                 z3="-1.180733"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.050213"
                                 y3="-2.423373"
                                 z3="-2.675333"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.540841"
                                 y3="-10.214491"
                                 z3="0.634387"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.181155"
                                 y3="-3.360972"
                                 z3="-3.802643"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.191445"
                                 y3="-0.789989"
                                 z3="-1.333271"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.36132"
                                 y3="-1.584753"
                                 z3="-2.230854"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.198322"
                                 y3="-6.984875"
                                 z3="-3.343548"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.793824"
                                 y3="-2.144941"
                                 z3="-2.848392"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.172251"
                                 y3="-1.241226"
                                 z3="-4.12689"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.610305"
                                 y3="-8.142636"
                                 z3="-1.18057"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.409509"
                                 y3="-9.982447"
                                 z3="-2.941703"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.519582"
                                 y3="-0.59958"
                                 z3="-4.490814"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.089277"
                                 y3="-4.42858"
                                 z3="-6.260709"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.684779"
                                 y3="-2.671063"
                                 z3="-3.310023"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.543547"
                                 y3="-2.744658"
                                 z3="-0.056544"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.356653"
                                 y3="-4.053575"
                                 z3="-6.790434"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.810081"
                                 y3="-5.89178"
                                 z3="-0.034674"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.215031"
                                 y3="0.410901"
                                 z3="-2.074404"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.266586"
                                 y3="-6.541426"
                                 z3="-1.653093"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.946738"
                                 y3="-2.53171"
                                 z3="-1.433343"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.859587"
                                 y3="-0.777847"
                                 z3="-3.326933"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.850301"
                                 y3="-3.412205"
                                 z3="-5.423587"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.949015"
                                 y3="-7.130894"
                                 z3="-3.921241"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.966182"
                                 y3="-3.235052"
                                 z3="-1.468055"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.146302"
                                 y3="-6.678107"
                                 z3="-0.013211"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.279664"
                                 y3="-5.137513"
                                 z3="-0.462654"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.765595"
                                 y3="-3.181236"
                                 z3="-0.504972"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.344182"
                                 y3="-5.353567"
                                 z3="-1.695374"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.53046"
                                 y3="-6.846464"
                                 z3="-4.050484"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.031666"
                                 y3="-5.769873"
                                 z3="-5.447584"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4563,-2.741,-4.4412;-.1427,-2.9709,-3.9743;-.2442,-4.9468,-5.9908;.3308,-2.2164,-6.6109;1.926,-5.0652,-4.1804;2.9452,-7.6334,-5.3006;.8045,-6.2129,-1.8311;.2654,-7.1741,-4.5768;2.0336,-8.559,-2.7813;3.5587,-6.1778,-2.8766;4.706,-4.3832,-4.7476;2.3767,-4.1346,-1.4092;3.6036,-10.5352,-2.1534;1.0779,-10.4223,-.6508;1.9054,.0665,-4.5519;5.1138,-4.5428,-2.0531;7.3087,-3.2033,-.5358;3.5476,-4.2058,-3.4175;6.6995,-6.3693,-.6465;2.5987,-9.5046,-.6933;2.0927,-7.8529,-.0525;1.2264,-6.8457,-1.1807;4.0502,-2.4234,-2.6753;3.5408,-10.2145,.6344;6.1812,-3.361,-3.8026;6.1914,-.79,-1.3333;1.3613,-1.5848,-2.2309;6.1983,-6.9849,-3.3435;.7938,-2.1449,-2.8484;5.1723,-1.2412,-4.1269;4.6103,-8.1426,-1.1806;3.4095,-9.9824,-2.9417;4.5196,-.5996,-4.4908;3.0893,-4.4286,-6.2607;6.6848,-2.6711,-3.31;4.5435,-2.7447,-.0565;2.3567,-4.0536,-6.7904;3.8101,-5.8918,-.0347;3.215,.4109,-2.0744;5.2666,-6.5414,-1.6531;5.9467,-2.5317,-1.4333;2.8596,-.7778,-3.3269;.8503,-3.4122,-5.4236;1.949,-7.1309,-3.9212;1.9662,-3.2351,-1.4681;3.1463,-6.6781,-.0132;3.2797,-5.1375,-.4627;3.7656,-3.1812,-.505;1.3442,-5.3536,-1.6954;5.5305,-6.8465,-4.0505;-.0317,-5.7699,-5.4476;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">50</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">50</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55224785</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00264366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00059895</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00264366</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00059895</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01042512</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00337908</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.45607"
                                 y3="-2.742839"
                                 z3="-4.440214"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.14178"
                                 y3="-2.973652"
                                 z3="-3.968695"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.248486"
                                 y3="-4.945702"
                                 z3="-5.987055"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.323338"
                                 y3="-2.213906"
                                 z3="-6.605053"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.92956"
                                 y3="-5.067934"
                                 z3="-4.189283"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.950219"
                                 y3="-7.641726"
                                 z3="-5.300391"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.802602"
                                 y3="-6.211921"
                                 z3="-1.833329"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.269103"
                                 y3="-7.176241"
                                 z3="-4.58065"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.034165"
                                 y3="-8.557145"
                                 z3="-2.780176"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.560178"
                                 y3="-6.177698"
                                 z3="-2.881803"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.712205"
                                 y3="-4.378591"
                                 z3="-4.746261"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.377398"
                                 y3="-4.134581"
                                 z3="-1.41544"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.603694"
                                 y3="-10.536837"
                                 z3="-2.148821"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.075958"
                                 y3="-10.421597"
                                 z3="-0.651776"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.906254"
                                 y3="0.067096"
                                 z3="-4.551974"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.114128"
                                 y3="-4.545132"
                                 z3="-2.054293"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.304153"
                                 y3="-3.211627"
                                 z3="-0.536805"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.548261"
                                 y3="-4.207293"
                                 z3="-3.419587"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.697016"
                                 y3="-6.371266"
                                 z3="-0.640938"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.596824"
                                 y3="-9.503682"
                                 z3="-0.690608"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.09036"
                                 y3="-7.852393"
                                 z3="-0.052066"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.224064"
                                 y3="-6.843395"
                                 z3="-1.181543"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.051911"
                                 y3="-2.423486"
                                 z3="-2.677893"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.536604"
                                 y3="-10.212267"
                                 z3="0.639458"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.178212"
                                 y3="-3.354059"
                                 z3="-3.808774"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.19271"
                                 y3="-0.793352"
                                 z3="-1.327478"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.364228"
                                 y3="-1.585327"
                                 z3="-2.226844"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.200749"
                                 y3="-6.984472"
                                 z3="-3.341738"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.798758"
                                 y3="-2.146487"
                                 z3="-2.844332"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.17403"
                                 y3="-1.238213"
                                 z3="-4.124841"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.607114"
                                 y3="-8.140738"
                                 z3="-1.182267"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.419278"
                                 y3="-9.982521"
                                 z3="-2.937945"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.521335"
                                 y3="-0.597918"
                                 z3="-4.490918"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.07978"
                                 y3="-4.431565"
                                 z3="-6.264623"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.686981"
                                 y3="-2.671012"
                                 z3="-3.31144"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.541212"
                                 y3="-2.745755"
                                 z3="-0.057879"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.349559"
                                 y3="-4.050317"
                                 z3="-6.792913"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.808379"
                                 y3="-5.888387"
                                 z3="-0.033611"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.216641"
                                 y3="0.407024"
                                 z3="-2.072896"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.267579"
                                 y3="-6.540616"
                                 z3="-1.652217"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.945253"
                                 y3="-2.534454"
                                 z3="-1.434286"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.860948"
                                 y3="-0.778321"
                                 z3="-3.328111"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.846101"
                                 y3="-3.411909"
                                 z3="-5.4213"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.952369"
                                 y3="-7.133362"
                                 z3="-3.92395"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.972767"
                                 y3="-3.232086"
                                 z3="-1.471557"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.146744"
                                 y3="-6.67539"
                                 z3="-0.011321"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.277599"
                                 y3="-5.136935"
                                 z3="-0.465324"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.764493"
                                 y3="-3.185992"
                                 z3="-0.505275"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.341155"
                                 y3="-5.352674"
                                 z3="-1.699922"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.53554"
                                 y3="-6.836038"
                                 z3="-4.049279"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.031593"
                                 y3="-5.769915"
                                 z3="-5.44717"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4561,-2.7428,-4.4402;-.1418,-2.9737,-3.9687;-.2485,-4.9457,-5.9871;.3233,-2.2139,-6.6051;1.9296,-5.0679,-4.1893;2.9502,-7.6417,-5.3004;.8026,-6.2119,-1.8333;.2691,-7.1762,-4.5807;2.0342,-8.5571,-2.7802;3.5602,-6.1777,-2.8818;4.7122,-4.3786,-4.7463;2.3774,-4.1346,-1.4154;3.6037,-10.5368,-2.1488;1.076,-10.4216,-.6518;1.9063,.0671,-4.552;5.1141,-4.5451,-2.0543;7.3042,-3.2116,-.5368;3.5483,-4.2073,-3.4196;6.697,-6.3713,-.6409;2.5968,-9.5037,-.6906;2.0904,-7.8524,-.0521;1.2241,-6.8434,-1.1815;4.0519,-2.4235,-2.6779;3.5366,-10.2123,.6395;6.1782,-3.3541,-3.8088;6.1927,-.7934,-1.3275;1.3642,-1.5853,-2.2268;6.2007,-6.9845,-3.3417;.7988,-2.1465,-2.8443;5.174,-1.2382,-4.1248;4.6071,-8.1407,-1.1823;3.4193,-9.9825,-2.9379;4.5213,-.5979,-4.4909;3.0798,-4.4316,-6.2646;6.687,-2.671,-3.3114;4.5412,-2.7458,-.0579;2.3496,-4.0503,-6.7929;3.8084,-5.8884,-.0336;3.2166,.407,-2.0729;5.2676,-6.5406,-1.6522;5.9453,-2.5345,-1.4343;2.8609,-.7783,-3.3281;.8461,-3.4119,-5.4213;1.9524,-7.1334,-3.924;1.9728,-3.2321,-1.4716;3.1467,-6.6754,-.0113;3.2776,-5.1369,-.4653;3.7645,-3.186,-.5053;1.3412,-5.3527,-1.6999;5.5355,-6.836,-4.0493;-.0316,-5.7699,-5.4472;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">51</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">51</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55231156</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00289285</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00289285</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053337</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01098646</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00325760</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.455507"
                                 y3="-2.744484"
                                 z3="-4.438191"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.142389"
                                 y3="-2.97949"
                                 z3="-3.960734"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.252187"
                                 y3="-4.946881"
                                 z3="-5.983518"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.313774"
                                 y3="-2.213365"
                                 z3="-6.597071"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.932328"
                                 y3="-5.069642"
                                 z3="-4.196178"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.953715"
                                 y3="-7.647556"
                                 z3="-5.299897"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.802216"
                                 y3="-6.211049"
                                 z3="-1.832728"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.271676"
                                 y3="-7.17793"
                                 z3="-4.583159"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.034176"
                                 y3="-8.556012"
                                 z3="-2.779954"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.560737"
                                 y3="-6.177204"
                                 z3="-2.885241"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.717439"
                                 y3="-4.375633"
                                 z3="-4.744101"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.378936"
                                 y3="-4.134001"
                                 z3="-1.420345"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.603671"
                                 y3="-10.537643"
                                 z3="-2.147723"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.074788"
                                 y3="-10.422722"
                                 z3="-0.654633"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.909137"
                                 y3="0.068457"
                                 z3="-4.554178"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.114367"
                                 y3="-4.546113"
                                 z3="-2.054575"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.298213"
                                 y3="-3.217579"
                                 z3="-0.533823"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.548584"
                                 y3="-4.208057"
                                 z3="-3.42073"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.694616"
                                 y3="-6.372207"
                                 z3="-0.635626"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.595791"
                                 y3="-9.504842"
                                 z3="-0.69014"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.086849"
                                 y3="-7.854289"
                                 z3="-0.052324"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.224472"
                                 y3="-6.842621"
                                 z3="-1.181667"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.05537"
                                 y3="-2.42283"
                                 z3="-2.680952"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.534307"
                                 y3="-10.212382"
                                 z3="0.641478"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.1792"
                                 y3="-3.351043"
                                 z3="-3.809886"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.195276"
                                 y3="-0.794954"
                                 z3="-1.322157"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.368878"
                                 y3="-1.584681"
                                 z3="-2.225068"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.20351"
                                 y3="-6.982478"
                                 z3="-3.338981"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.802743"
                                 y3="-2.147334"
                                 z3="-2.839668"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.177475"
                                 y3="-1.237284"
                                 z3="-4.126132"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.60465"
                                 y3="-8.139361"
                                 z3="-1.184705"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.425995"
                                 y3="-9.981381"
                                 z3="-2.936839"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.524776"
                                 y3="-0.597558"
                                 z3="-4.493355"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.069486"
                                 y3="-4.435922"
                                 z3="-6.269676"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.690383"
                                 y3="-2.671256"
                                 z3="-3.310149"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.536597"
                                 y3="-2.74266"
                                 z3="-0.060697"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.342093"
                                 y3="-4.045723"
                                 z3="-6.795052"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.804121"
                                 y3="-5.886172"
                                 z3="-0.033283"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.221172"
                                 y3="0.405101"
                                 z3="-2.074626"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.267995"
                                 y3="-6.538953"
                                 z3="-1.65067"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.943769"
                                 y3="-2.535422"
                                 z3="-1.434251"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.864104"
                                 y3="-0.77808"
                                 z3="-3.331214"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.841289"
                                 y3="-3.412909"
                                 z3="-5.416835"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.954875"
                                 y3="-7.134796"
                                 z3="-3.925644"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.979357"
                                 y3="-3.228797"
                                 z3="-1.475525"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.144717"
                                 y3="-6.674322"
                                 z3="-0.011724"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.273736"
                                 y3="-5.137621"
                                 z3="-0.469342"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.761211"
                                 y3="-3.185649"
                                 z3="-0.507292"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.339466"
                                 y3="-5.351837"
                                 z3="-1.700975"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.541462"
                                 y3="-6.825052"
                                 z3="-4.04758"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.03271"
                                 y3="-5.77239"
                                 z3="-5.446074"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4555,-2.7445,-4.4382;-.1424,-2.9795,-3.9607;-.2522,-4.9469,-5.9835;.3138,-2.2134,-6.5971;1.9323,-5.0696,-4.1962;2.9537,-7.6476,-5.2999;.8022,-6.211,-1.8327;.2717,-7.1779,-4.5832;2.0342,-8.556,-2.78;3.5607,-6.1772,-2.8852;4.7174,-4.3756,-4.7441;2.3789,-4.134,-1.4203;3.6037,-10.5376,-2.1477;1.0748,-10.4227,-.6546;1.9091,.0685,-4.5542;5.1144,-4.5461,-2.0546;7.2982,-3.2176,-.5338;3.5486,-4.2081,-3.4207;6.6946,-6.3722,-.6356;2.5958,-9.5048,-.6901;2.0868,-7.8543,-.0523;1.2245,-6.8426,-1.1817;4.0554,-2.4228,-2.681;3.5343,-10.2124,.6415;6.1792,-3.351,-3.8099;6.1953,-.795,-1.3222;1.3689,-1.5847,-2.2251;6.2035,-6.9825,-3.339;.8027,-2.1473,-2.8397;5.1775,-1.2373,-4.1261;4.6047,-8.1394,-1.1847;3.426,-9.9814,-2.9368;4.5248,-.5976,-4.4934;3.0695,-4.4359,-6.2697;6.6904,-2.6713,-3.3101;4.5366,-2.7427,-.0607;2.3421,-4.0457,-6.7951;3.8041,-5.8862,-.0333;3.2212,.4051,-2.0746;5.268,-6.539,-1.6507;5.9438,-2.5354,-1.4343;2.8641,-.7781,-3.3312;.8413,-3.4129,-5.4168;1.9549,-7.1348,-3.9256;1.9794,-3.2288,-1.4755;3.1447,-6.6743,-.0117;3.2737,-5.1376,-.4693;3.7612,-3.1856,-.5073;1.3395,-5.3518,-1.701;5.5415,-6.8251,-4.0476;-.0327,-5.7724,-5.4461;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">52</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">52</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55238532</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00254081</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00050514</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00254081</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00050514</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01301206</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00334521</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.453553"
                                 y3="-2.746027"
                                 z3="-4.434626"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.14466"
                                 y3="-2.988102"
                                 z3="-3.951001"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.254756"
                                 y3="-4.948696"
                                 z3="-5.981181"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.304624"
                                 y3="-2.213407"
                                 z3="-6.587517"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.935508"
                                 y3="-5.071522"
                                 z3="-4.203148"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.957094"
                                 y3="-7.65357"
                                 z3="-5.299683"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.800538"
                                 y3="-6.209696"
                                 z3="-1.833107"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.274196"
                                 y3="-7.179149"
                                 z3="-4.585785"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.032587"
                                 y3="-8.555731"
                                 z3="-2.780649"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.561028"
                                 y3="-6.177205"
                                 z3="-2.8874"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.722265"
                                 y3="-4.373324"
                                 z3="-4.741526"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.379521"
                                 y3="-4.13353"
                                 z3="-1.425492"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.602067"
                                 y3="-10.538114"
                                 z3="-2.147433"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.072189"
                                 y3="-10.423207"
                                 z3="-0.657171"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.911536"
                                 y3="0.068839"
                                 z3="-4.556204"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.114489"
                                 y3="-4.546841"
                                 z3="-2.05397"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.293696"
                                 y3="-3.221246"
                                 z3="-0.531397"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.548709"
                                 y3="-4.20867"
                                 z3="-3.421535"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.692493"
                                 y3="-6.374057"
                                 z3="-0.628924"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.594171"
                                 y3="-9.506904"
                                 z3="-0.690531"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.083698"
                                 y3="-7.856793"
                                 z3="-0.052235"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.223828"
                                 y3="-6.842185"
                                 z3="-1.183598"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.05955"
                                 y3="-2.422324"
                                 z3="-2.683389"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.531592"
                                 y3="-10.213905"
                                 z3="0.642201"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.182562"
                                 y3="-3.353844"
                                 z3="-3.807962"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.200129"
                                 y3="-0.795163"
                                 z3="-1.320653"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.372173"
                                 y3="-1.583686"
                                 z3="-2.224302"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.208811"
                                 y3="-6.978309"
                                 z3="-3.334774"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.804331"
                                 y3="-2.148307"
                                 z3="-2.835055"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.179578"
                                 y3="-1.238347"
                                 z3="-4.129649"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.602452"
                                 y3="-8.138354"
                                 z3="-1.188037"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.42938"
                                 y3="-9.979129"
                                 z3="-2.935846"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.526702"
                                 y3="-0.598674"
                                 z3="-4.496622"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.061242"
                                 y3="-4.435973"
                                 z3="-6.273733"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.692966"
                                 y3="-2.672935"
                                 z3="-3.308624"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.533538"
                                 y3="-2.73896"
                                 z3="-0.063609"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.336194"
                                 y3="-4.038238"
                                 z3="-6.796573"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.801048"
                                 y3="-5.884609"
                                 z3="-0.032388"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.225165"
                                 y3="0.404528"
                                 z3="-2.077108"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.268878"
                                 y3="-6.536968"
                                 z3="-1.648306"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.943149"
                                 y3="-2.534949"
                                 z3="-1.434985"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.866615"
                                 y3="-0.77813"
                                 z3="-3.333728"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.836211"
                                 y3="-3.414386"
                                 z3="-5.410684"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.957579"
                                 y3="-7.13614"
                                 z3="-3.927692"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.983358"
                                 y3="-3.226585"
                                 z3="-1.481034"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.143833"
                                 y3="-6.673662"
                                 z3="-0.013245"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.271872"
                                 y3="-5.13658"
                                 z3="-0.470675"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.759494"
                                 y3="-3.183247"
                                 z3="-0.510366"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.337655"
                                 y3="-5.351102"
                                 z3="-1.701555"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.551562"
                                 y3="-6.81204"
                                 z3="-4.04584"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.034273"
                                 y3="-5.775457"
                                 z3="-5.445063"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4536,-2.746,-4.4346;-.1447,-2.9881,-3.951;-.2548,-4.9487,-5.9812;.3046,-2.2134,-6.5875;1.9355,-5.0715,-4.2031;2.9571,-7.6536,-5.2997;.8005,-6.2097,-1.8331;.2742,-7.1791,-4.5858;2.0326,-8.5557,-2.7806;3.561,-6.1772,-2.8874;4.7223,-4.3733,-4.7415;2.3795,-4.1335,-1.4255;3.6021,-10.5381,-2.1474;1.0722,-10.4232,-.6572;1.9115,.0688,-4.5562;5.1145,-4.5468,-2.054;7.2937,-3.2212,-.5314;3.5487,-4.2087,-3.4215;6.6925,-6.3741,-.6289;2.5942,-9.5069,-.6905;2.0837,-7.8568,-.0522;1.2238,-6.8422,-1.1836;4.0595,-2.4223,-2.6834;3.5316,-10.2139,.6422;6.1826,-3.3538,-3.808;6.2001,-.7952,-1.3207;1.3722,-1.5837,-2.2243;6.2088,-6.9783,-3.3348;.8043,-2.1483,-2.8351;5.1796,-1.2383,-4.1296;4.6025,-8.1384,-1.188;3.4294,-9.9791,-2.9358;4.5267,-.5987,-4.4966;3.0612,-4.436,-6.2737;6.693,-2.6729,-3.3086;4.5335,-2.739,-.0636;2.3362,-4.0382,-6.7966;3.801,-5.8846,-.0324;3.2252,.4045,-2.0771;5.2689,-6.537,-1.6483;5.9431,-2.5349,-1.435;2.8666,-.7781,-3.3337;.8362,-3.4144,-5.4107;1.9576,-7.1361,-3.9277;1.9834,-3.2266,-1.481;3.1438,-6.6737,-.0132;3.2719,-5.1366,-.4707;3.7595,-3.1832,-.5104;1.3377,-5.3511,-1.7016;5.5516,-6.812,-4.0458;-.0343,-5.7755,-5.4451;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">53</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">53</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55238873</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00261364</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00049104</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00261364</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00049104</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01327464</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00348556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.451995"
                                 y3="-2.747498"
                                 z3="-4.430399"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.1447"
                                 y3="-2.998245"
                                 z3="-3.940548"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.256356"
                                 y3="-4.95137"
                                 z3="-5.979789"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.296245"
                                 y3="-2.214168"
                                 z3="-6.577033"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.938937"
                                 y3="-5.073637"
                                 z3="-4.210203"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.960759"
                                 y3="-7.659496"
                                 z3="-5.300342"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.798296"
                                 y3="-6.208389"
                                 z3="-1.835301"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.277558"
                                 y3="-7.180563"
                                 z3="-4.590709"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.031005"
                                 y3="-8.556331"
                                 z3="-2.782186"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.560958"
                                 y3="-6.177236"
                                 z3="-2.88885"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.727219"
                                 y3="-4.372164"
                                 z3="-4.73849"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.380794"
                                 y3="-4.133366"
                                 z3="-1.430102"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.601991"
                                 y3="-10.537764"
                                 z3="-2.14512"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.068373"
                                 y3="-10.423037"
                                 z3="-0.660128"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.91184"
                                 y3="0.068255"
                                 z3="-4.554804"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.115765"
                                 y3="-4.547826"
                                 z3="-2.052681"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.293444"
                                 y3="-3.224228"
                                 z3="-0.533497"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.548736"
                                 y3="-4.209416"
                                 z3="-3.422293"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.690554"
                                 y3="-6.378412"
                                 z3="-0.621213"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.591139"
                                 y3="-9.507908"
                                 z3="-0.690852"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.078709"
                                 y3="-7.857718"
                                 z3="-0.053454"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.222544"
                                 y3="-6.84162"
                                 z3="-1.187132"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.063462"
                                 y3="-2.422511"
                                 z3="-2.684178"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.526513"
                                 y3="-10.213638"
                                 z3="0.644115"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.183336"
                                 y3="-3.355464"
                                 z3="-3.807468"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.206838"
                                 y3="-0.794831"
                                 z3="-1.321304"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.374172"
                                 y3="-1.583326"
                                 z3="-2.222646"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.214612"
                                 y3="-6.975726"
                                 z3="-3.329642"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.804397"
                                 y3="-2.150051"
                                 z3="-2.829464"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.179964"
                                 y3="-1.239588"
                                 z3="-4.133651"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.598028"
                                 y3="-8.135782"
                                 z3="-1.19065"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.432293"
                                 y3="-9.97759"
                                 z3="-2.933494"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.526455"
                                 y3="-0.599249"
                                 z3="-4.49846"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.054578"
                                 y3="-4.435528"
                                 z3="-6.278677"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.6933"
                                 y3="-2.673079"
                                 z3="-3.309363"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.534286"
                                 y3="-2.734986"
                                 z3="-0.065406"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.331169"
                                 y3="-4.031026"
                                 z3="-6.79851"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.796821"
                                 y3="-5.882607"
                                 z3="-0.032959"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.227758"
                                 y3="0.404226"
                                 z3="-2.077238"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.27002"
                                 y3="-6.534827"
                                 z3="-1.645658"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.944457"
                                 y3="-2.533763"
                                 z3="-1.436829"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.868364"
                                 y3="-0.778648"
                                 z3="-3.333469"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.832345"
                                 y3="-3.417403"
                                 z3="-5.404639"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.960574"
                                 y3="-7.137754"
                                 z3="-3.930689"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.988425"
                                 y3="-3.224369"
                                 z3="-1.484844"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.140766"
                                 y3="-6.672084"
                                 z3="-0.016072"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.268761"
                                 y3="-5.135069"
                                 z3="-0.474175"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.760813"
                                 y3="-3.179445"
                                 z3="-0.511763"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.336191"
                                 y3="-5.350593"
                                 z3="-1.70384"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.562871"
                                 y3="-6.798765"
                                 z3="-4.043101"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.035652"
                                 y3="-5.7790"
                                 z3="-5.444209"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.10H2O.HO.20O/h;;;;;;;10*1H2;1H;;;;;;;;;;;;;;;;;;;;/q;;2*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-8/rH9Mo6O25.HMoO4.H2O.HO/c7-1(8,9,10)28-3(14,15,16,17)30-5(22,23,24,25)31-4(18,19,20,21)29-2(11,12,13)27-6(28,29,30,31)26;2-1(3,4)5;;/h7-8,14-15,18,22-23H,19H2;2H;1H2;1H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:18;44;20;40;41;42;43;7;38;3;13;35;27;28;33;37;36;12;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/CRV:;;;;;;;;;;;;;;;;;1.1;;;;;;;;;;;;;;;;;;;;/rA:51nO3O1OO1OO1OO1O1O3O1O1OO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.452,-2.7475,-4.4304;-.1447,-2.9982,-3.9405;-.2564,-4.9514,-5.9798;.2962,-2.2142,-6.577;1.9389,-5.0736,-4.2102;2.9608,-7.6595,-5.3003;.7983,-6.2084,-1.8353;.2776,-7.1806,-4.5907;2.031,-8.5563,-2.7822;3.561,-6.1772,-2.8889;4.7272,-4.3722,-4.7385;2.3808,-4.1334,-1.4301;3.602,-10.5378,-2.1451;1.0684,-10.423,-.6601;1.9118,.0683,-4.5548;5.1158,-4.5478,-2.0527;7.2934,-3.2242,-.5335;3.5487,-4.2094,-3.4223;6.6906,-6.3784,-.6212;2.5911,-9.5079,-.6909;2.0787,-7.8577,-.0535;1.2225,-6.8416,-1.1871;4.0635,-2.4225,-2.6842;3.5265,-10.2136,.6441;6.1833,-3.3555,-3.8075;6.2068,-.7948,-1.3213;1.3742,-1.5833,-2.2226;6.2146,-6.9757,-3.3296;.8044,-2.1501,-2.8295;5.18,-1.2396,-4.1337;4.598,-8.1358,-1.1906;3.4323,-9.9776,-2.9335;4.5265,-.5992,-4.4985;3.0546,-4.4355,-6.2787;6.6933,-2.6731,-3.3094;4.5343,-2.735,-.0654;2.3312,-4.031,-6.7985;3.7968,-5.8826,-.033;3.2278,.4042,-2.0772;5.27,-6.5348,-1.6457;5.9445,-2.5338,-1.4368;2.8684,-.7786,-3.3335;.8323,-3.4174,-5.4046;1.9606,-7.1378,-3.9307;1.9884,-3.2244,-1.4848;3.1408,-6.6721,-.0161;3.2688,-5.1351,-.4742;3.7608,-3.1794,-.5118;1.3362,-5.3506,-1.7038;5.5629,-6.7988,-4.0431;-.0357,-5.779,-5.4442;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,11,5,1,10,23,16;20,13,14,21,24;7;12/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);;/CRV:9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,26.1,28.3,29.3,30.3,31.3;3.1,4.1,5.1;;1.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">54</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">54</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55240190</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00284807</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00049284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00284807</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00049284</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01168554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00242883</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.45066"
                                 y3="-2.748349"
                                 z3="-4.427057"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.144906"
                                 y3="-3.004152"
                                 z3="-3.933721"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.257651"
                                 y3="-4.953558"
                                 z3="-5.978266"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.292469"
                                 y3="-2.215909"
                                 z3="-6.570496"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.940893"
                                 y3="-5.074948"
                                 z3="-4.215463"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.962169"
                                 y3="-7.66378"
                                 z3="-5.300819"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.796706"
                                 y3="-6.207057"
                                 z3="-1.836192"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.27938"
                                 y3="-7.180742"
                                 z3="-4.593233"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.028822"
                                 y3="-8.556663"
                                 z3="-2.78286"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.560232"
                                 y3="-6.177371"
                                 z3="-2.889185"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.730127"
                                 y3="-4.372451"
                                 z3="-4.735906"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.38104"
                                 y3="-4.132005"
                                 z3="-1.434042"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.600607"
                                 y3="-10.537037"
                                 z3="-2.145007"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.065822"
                                 y3="-10.421567"
                                 z3="-0.661029"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.913003"
                                 y3="0.067632"
                                 z3="-4.55529"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.116168"
                                 y3="-4.548544"
                                 z3="-2.050997"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.290594"
                                 y3="-3.226348"
                                 z3="-0.531867"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.548402"
                                 y3="-4.209528"
                                 z3="-3.422633"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.691625"
                                 y3="-6.383127"
                                 z3="-0.618612"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.58983"
                                 y3="-9.508541"
                                 z3="-0.691414"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.077862"
                                 y3="-7.857982"
                                 z3="-0.05379"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.221591"
                                 y3="-6.841152"
                                 z3="-1.189219"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.066359"
                                 y3="-2.422615"
                                 z3="-2.684348"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.524651"
                                 y3="-10.214411"
                                 z3="0.643904"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.185995"
                                 y3="-3.358022"
                                 z3="-3.80355"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.21073"
                                 y3="-0.79415"
                                 z3="-1.320183"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.374948"
                                 y3="-1.581136"
                                 z3="-2.222945"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.218782"
                                 y3="-6.972408"
                                 z3="-3.328648"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.803778"
                                 y3="-2.149165"
                                 z3="-2.827278"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.17979"
                                 y3="-1.242512"
                                 z3="-4.136918"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.596131"
                                 y3="-8.133921"
                                 z3="-1.194325"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.43021"
                                 y3="-9.976561"
                                 z3="-2.93315"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.526409"
                                 y3="-0.601402"
                                 z3="-4.500608"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.049332"
                                 y3="-4.438505"
                                 z3="-6.28155"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.693713"
                                 y3="-2.672829"
                                 z3="-3.306872"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.532154"
                                 y3="-2.732095"
                                 z3="-0.06571"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.328534"
                                 y3="-4.027215"
                                 z3="-6.799611"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.797349"
                                 y3="-5.882493"
                                 z3="-0.032661"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.229866"
                                 y3="0.405423"
                                 z3="-2.079052"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.272018"
                                 y3="-6.53334"
                                 z3="-1.645363"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.943661"
                                 y3="-2.532296"
                                 z3="-1.436077"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.869772"
                                 y3="-0.778787"
                                 z3="-3.333915"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.829984"
                                 y3="-3.42039"
                                 z3="-5.40008"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.962406"
                                 y3="-7.138576"
                                 z3="-3.932476"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.989692"
                                 y3="-3.222492"
                                 z3="-1.488908"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.141651"
                                 y3="-6.672016"
                                 z3="-0.018099"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.270079"
                                 y3="-5.134391"
                                 z3="-0.474136"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.759076"
                                 y3="-3.17641"
                                 z3="-0.512537"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.335514"
                                 y3="-5.349897"
                                 z3="-1.705199"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.570755"
                                 y3="-6.78708"
                                 z3="-4.043338"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.037062"
                                 y3="-5.781741"
                                 z3="-5.442677"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-3(14,15,16,17)31-5(22,23,24,25)32-4(18,19,20,21)30-2(11,12,13)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18,22-23,26H,19H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4507,-2.7483,-4.4271;-.1449,-3.0042,-3.9337;-.2577,-4.9536,-5.9783;.2925,-2.2159,-6.5705;1.9409,-5.0749,-4.2155;2.9622,-7.6638,-5.3008;.7967,-6.2071,-1.8362;.2794,-7.1807,-4.5932;2.0288,-8.5567,-2.7829;3.5602,-6.1774,-2.8892;4.7301,-4.3725,-4.7359;2.381,-4.132,-1.434;3.6006,-10.537,-2.145;1.0658,-10.4216,-.661;1.913,.0676,-4.5553;5.1162,-4.5485,-2.051;7.2906,-3.2263,-.5319;3.5484,-4.2095,-3.4226;6.6916,-6.3831,-.6186;2.5898,-9.5085,-.6914;2.0779,-7.858,-.0538;1.2216,-6.8412,-1.1892;4.0664,-2.4226,-2.6843;3.5247,-10.2144,.6439;6.186,-3.358,-3.8035;6.2107,-.7942,-1.3202;1.3749,-1.5811,-2.2229;6.2188,-6.9724,-3.3286;.8038,-2.1492,-2.8273;5.1798,-1.2425,-4.1369;4.5961,-8.1339,-1.1943;3.4302,-9.9766,-2.9331;4.5264,-.6014,-4.5006;3.0493,-4.4385,-6.2816;6.6937,-2.6728,-3.3069;4.5322,-2.7321,-.0657;2.3285,-4.0272,-6.7996;3.7973,-5.8825,-.0327;3.2299,.4054,-2.0791;5.272,-6.5333,-1.6454;5.9437,-2.5323,-1.4361;2.8698,-.7788,-3.3339;.83,-3.4204,-5.4001;1.9624,-7.1386,-3.9325;1.9897,-3.2225,-1.4889;3.1417,-6.672,-.0181;3.2701,-5.1344,-.4741;3.7591,-3.1764,-.5125;1.3355,-5.3499,-1.7052;5.5708,-6.7871,-4.0433;-.0371,-5.7817,-5.4427;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,12,11,5,1,10,23,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">55</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">55</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55242217</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00273212</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00049546</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00273212</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00049546</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01046835</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00190247</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.450165"
                                 y3="-2.749262"
                                 z3="-4.424586"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.143756"
                                 y3="-3.008242"
                                 z3="-3.929856"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.257627"
                                 y3="-4.955727"
                                 z3="-5.977682"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.291857"
                                 y3="-2.217572"
                                 z3="-6.566335"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.941388"
                                 y3="-5.076308"
                                 z3="-4.218821"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.963626"
                                 y3="-7.666064"
                                 z3="-5.302623"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.794755"
                                 y3="-6.20738"
                                 z3="-1.837888"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.281272"
                                 y3="-7.181355"
                                 z3="-4.595999"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.027753"
                                 y3="-8.557081"
                                 z3="-2.783643"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.558923"
                                 y3="-6.177916"
                                 z3="-2.888803"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.731728"
                                 y3="-4.374607"
                                 z3="-4.733546"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.381153"
                                 y3="-4.131572"
                                 z3="-1.436418"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.59886"
                                 y3="-10.53642"
                                 z3="-2.143451"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.062696"
                                 y3="-10.417688"
                                 z3="-0.661193"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.91226"
                                 y3="0.06566"
                                 z3="-4.553687"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.116624"
                                 y3="-4.549892"
                                 z3="-2.049338"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.290661"
                                 y3="-3.228351"
                                 z3="-0.53368"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.547604"
                                 y3="-4.209997"
                                 z3="-3.422634"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.693305"
                                 y3="-6.388083"
                                 z3="-0.617385"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.588154"
                                 y3="-9.507041"
                                 z3="-0.691162"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.077922"
                                 y3="-7.855445"
                                 z3="-0.054973"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.220647"
                                 y3="-6.840844"
                                 z3="-1.19103"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.067502"
                                 y3="-2.423645"
                                 z3="-2.68329"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.521508"
                                 y3="-10.21334"
                                 z3="0.644969"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.183264"
                                 y3="-3.356999"
                                 z3="-3.803575"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.214607"
                                 y3="-0.793714"
                                 z3="-1.320356"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.374506"
                                 y3="-1.580487"
                                 z3="-2.22172"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.221343"
                                 y3="-6.970198"
                                 z3="-3.328894"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.803502"
                                 y3="-2.14893"
                                 z3="-2.826009"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.17828"
                                 y3="-1.24432"
                                 z3="-4.138094"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.594581"
                                 y3="-8.132128"
                                 z3="-1.196258"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.426286"
                                 y3="-9.97738"
                                 z3="-2.93215"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.524675"
                                 y3="-0.603069"
                                 z3="-4.50103"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.049151"
                                 y3="-4.437774"
                                 z3="-6.281878"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.691929"
                                 y3="-2.672266"
                                 z3="-3.307122"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.533258"
                                 y3="-2.730498"
                                 z3="-0.064515"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.328984"
                                 y3="-4.025121"
                                 z3="-6.799638"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.798878"
                                 y3="-5.881758"
                                 z3="-0.033205"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.22986"
                                 y3="0.405908"
                                 z3="-2.078755"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.273832"
                                 y3="-6.532524"
                                 z3="-1.645479"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.944092"
                                 y3="-2.531172"
                                 z3="-1.436118"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.869768"
                                 y3="-0.779747"
                                 z3="-3.332323"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.829546"
                                 y3="-3.423666"
                                 z3="-5.39764"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.964161"
                                 y3="-7.139693"
                                 z3="-3.934649"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.99052"
                                 y3="-3.221707"
                                 z3="-1.490229"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.142385"
                                 y3="-6.670688"
                                 z3="-0.01999"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.272202"
                                 y3="-5.133162"
                                 z3="-0.474644"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.759685"
                                 y3="-3.173787"
                                 z3="-0.511452"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.33395"
                                 y3="-5.350502"
                                 z3="-1.708094"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.576002"
                                 y3="-6.776611"
                                 z3="-4.043893"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.036507"
                                 y3="-5.784447"
                                 z3="-5.442641"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-3(14,15,16,17)31-5(22,23,24,25)32-4(18,19,20,21)30-2(11,12,13)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18,22-23,26H,19H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1OO1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4502,-2.7493,-4.4246;-.1438,-3.0082,-3.9299;-.2576,-4.9557,-5.9777;.2919,-2.2176,-6.5663;1.9414,-5.0763,-4.2188;2.9636,-7.6661,-5.3026;.7948,-6.2074,-1.8379;.2813,-7.1814,-4.596;2.0278,-8.5571,-2.7836;3.5589,-6.1779,-2.8888;4.7317,-4.3746,-4.7335;2.3812,-4.1316,-1.4364;3.5989,-10.5364,-2.1435;1.0627,-10.4177,-.6612;1.9123,.0657,-4.5537;5.1166,-4.5499,-2.0493;7.2907,-3.2284,-.5337;3.5476,-4.21,-3.4226;6.6933,-6.3881,-.6174;2.5882,-9.507,-.6912;2.0779,-7.8554,-.055;1.2206,-6.8408,-1.191;4.0675,-2.4236,-2.6833;3.5215,-10.2133,.645;6.1833,-3.357,-3.8036;6.2146,-.7937,-1.3204;1.3745,-1.5805,-2.2217;6.2213,-6.9702,-3.3289;.8035,-2.1489,-2.826;5.1783,-1.2443,-4.1381;4.5946,-8.1321,-1.1963;3.4263,-9.9774,-2.9322;4.5247,-.6031,-4.501;3.0492,-4.4378,-6.2819;6.6919,-2.6723,-3.3071;4.5333,-2.7305,-.0645;2.329,-4.0251,-6.7996;3.7989,-5.8818,-.0332;3.2299,.4059,-2.0788;5.2738,-6.5325,-1.6455;5.9441,-2.5312,-1.4361;2.8698,-.7797,-3.3323;.8295,-3.4237,-5.3976;1.9642,-7.1397,-3.9346;1.9905,-3.2217,-1.4902;3.1424,-6.6707,-.02;3.2722,-5.1332,-.4746;3.7597,-3.1738,-.5115;1.3339,-5.3505,-1.7081;5.576,-6.7766,-4.0439;-.0365,-5.7844,-5.4426;/R:/0/N:43,44,42,40,41,18,3,37,2,4,6,8,9,27,33,15,39,28,38,19,31,35,36,17,26,12,11,5,1,10,23,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,19.3,20.1,21.1,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">56</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">56</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55242693</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00219300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00044305</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00219300</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00044305</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01479778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00217603</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.450458"
                                 y3="-2.750387"
                                 z3="-4.422668"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.141198"
                                 y3="-3.008486"
                                 z3="-3.927632"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.259421"
                                 y3="-4.95805"
                                 z3="-5.974608"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.292786"
                                 y3="-2.220484"
                                 z3="-6.564015"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.939968"
                                 y3="-5.077322"
                                 z3="-4.221108"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.963546"
                                 y3="-7.667434"
                                 z3="-5.304453"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.791392"
                                 y3="-6.20757"
                                 z3="-1.838622"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.282273"
                                 y3="-7.181858"
                                 z3="-4.598393"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.027055"
                                 y3="-8.557773"
                                 z3="-2.784122"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.55539"
                                 y3="-6.17848"
                                 z3="-2.887151"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.731988"
                                 y3="-4.379843"
                                 z3="-4.730565"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.380806"
                                 y3="-4.129811"
                                 z3="-1.438665"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.600357"
                                 y3="-10.534963"
                                 z3="-2.1428"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.061498"
                                 y3="-10.414254"
                                 z3="-0.663204"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.912713"
                                 y3="0.063266"
                                 z3="-4.553835"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.115787"
                                 y3="-4.551918"
                                 z3="-2.046537"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.288276"
                                 y3="-3.230709"
                                 z3="-0.532867"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.545732"
                                 y3="-4.210536"
                                 z3="-3.42206"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.69609"
                                 y3="-6.393637"
                                 z3="-0.618128"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.588135"
                                 y3="-9.505495"
                                 z3="-0.691574"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.080685"
                                 y3="-7.853095"
                                 z3="-0.055672"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.218844"
                                 y3="-6.83893"
                                 z3="-1.190886"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.068135"
                                 y3="-2.424897"
                                 z3="-2.681959"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.519823"
                                 y3="-10.213744"
                                 z3="0.644729"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.181351"
                                 y3="-3.356353"
                                 z3="-3.802813"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.21731"
                                 y3="-0.793233"
                                 z3="-1.318772"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.37475"
                                 y3="-1.578407"
                                 z3="-2.220782"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.221845"
                                 y3="-6.966011"
                                 z3="-3.331322"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.804719"
                                 y3="-2.146916"
                                 z3="-2.826163"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.177978"
                                 y3="-1.247002"
                                 z3="-4.138828"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.594008"
                                 y3="-8.130237"
                                 z3="-1.198337"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.423564"
                                 y3="-9.978754"
                                 z3="-2.932467"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.52415"
                                 y3="-0.606541"
                                 z3="-4.502767"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.050386"
                                 y3="-4.436932"
                                 z3="-6.281257"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.690621"
                                 y3="-2.672119"
                                 z3="-3.306413"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.532489"
                                 y3="-2.72883"
                                 z3="-0.062787"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.329888"
                                 y3="-4.025534"
                                 z3="-6.799454"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.801772"
                                 y3="-5.882284"
                                 z3="-0.033162"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.231445"
                                 y3="0.407207"
                                 z3="-2.080757"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.275736"
                                 y3="-6.531654"
                                 z3="-1.646298"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.943658"
                                 y3="-2.529865"
                                 z3="-1.435089"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.870594"
                                 y3="-0.780813"
                                 z3="-3.331944"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.829494"
                                 y3="-3.427881"
                                 z3="-5.396094"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.964876"
                                 y3="-7.140742"
                                 z3="-3.936099"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.990359"
                                 y3="-3.219847"
                                 z3="-1.491123"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.143882"
                                 y3="-6.670957"
                                 z3="-0.0209"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.275329"
                                 y3="-5.133728"
                                 z3="-0.474042"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.758853"
                                 y3="-3.171579"
                                 z3="-0.510365"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.329639"
                                 y3="-5.34996"
                                 z3="-1.712356"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.578768"
                                 y3="-6.761814"
                                 z3="-4.045367"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.03686"
                                 y3="-5.787416"
                                 z3="-5.440857"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4505,-2.7504,-4.4227;-.1412,-3.0085,-3.9276;-.2594,-4.9581,-5.9746;.2928,-2.2205,-6.564;1.94,-5.0773,-4.2211;2.9635,-7.6674,-5.3045;.7914,-6.2076,-1.8386;.2823,-7.1819,-4.5984;2.0271,-8.5578,-2.7841;3.5554,-6.1785,-2.8872;4.732,-4.3798,-4.7306;2.3808,-4.1298,-1.4387;3.6004,-10.535,-2.1428;1.0615,-10.4143,-.6632;1.9127,.0633,-4.5538;5.1158,-4.5519,-2.0465;7.2883,-3.2307,-.5329;3.5457,-4.2105,-3.4221;6.6961,-6.3936,-.6181;2.5881,-9.5055,-.6916;2.0807,-7.8531,-.0557;1.2188,-6.8389,-1.1909;4.0681,-2.4249,-2.682;3.5198,-10.2137,.6447;6.1814,-3.3564,-3.8028;6.2173,-.7932,-1.3188;1.3747,-1.5784,-2.2208;6.2218,-6.966,-3.3313;.8047,-2.1469,-2.8262;5.178,-1.247,-4.1388;4.594,-8.1302,-1.1983;3.4236,-9.9788,-2.9325;4.5241,-.6065,-4.5028;3.0504,-4.4369,-6.2813;6.6906,-2.6721,-3.3064;4.5325,-2.7288,-.0628;2.3299,-4.0255,-6.7995;3.8018,-5.8823,-.0332;3.2314,.4072,-2.0808;5.2757,-6.5317,-1.6463;5.9437,-2.5299,-1.4351;2.8706,-.7808,-3.3319;.8295,-3.4279,-5.3961;1.9649,-7.1407,-3.9361;1.9904,-3.2198,-1.4911;3.1439,-6.671,-.0209;3.2753,-5.1337,-.474;3.7589,-3.1716,-.5104;1.3296,-5.35,-1.7124;5.5788,-6.7618,-4.0454;-.0369,-5.7874,-5.4409;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">57</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">57</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55246805</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00135768</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00038632</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00135768</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00038632</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01078610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00162840</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.451303"
                                 y3="-2.751014"
                                 z3="-4.422698"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.139513"
                                 y3="-3.00489"
                                 z3="-3.929275"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.259895"
                                 y3="-4.959036"
                                 z3="-5.97307"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.295526"
                                 y3="-2.222847"
                                 z3="-6.566141"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.937389"
                                 y3="-5.077129"
                                 z3="-4.219984"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.963187"
                                 y3="-7.665784"
                                 z3="-5.305574"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.788961"
                                 y3="-6.209089"
                                 z3="-1.837332"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.281896"
                                 y3="-7.18216"
                                 z3="-4.597507"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.027393"
                                 y3="-8.558154"
                                 z3="-2.784388"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.552181"
                                 y3="-6.178632"
                                 z3="-2.885554"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.730598"
                                 y3="-4.38403"
                                 z3="-4.729195"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.380778"
                                 y3="-4.129218"
                                 z3="-1.438058"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.60068"
                                 y3="-10.535208"
                                 z3="-2.143116"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.061411"
                                 y3="-10.411483"
                                 z3="-0.664208"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.913344"
                                 y3="0.061772"
                                 z3="-4.555005"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.114572"
                                 y3="-4.553064"
                                 z3="-2.045169"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.286421"
                                 y3="-3.231426"
                                 z3="-0.531628"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.544034"
                                 y3="-4.21061"
                                 z3="-3.421184"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.698007"
                                 y3="-6.395561"
                                 z3="-0.62063"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.589067"
                                 y3="-9.504478"
                                 z3="-0.691817"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.083786"
                                 y3="-7.851555"
                                 z3="-0.056123"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.218241"
                                 y3="-6.838649"
                                 z3="-1.18918"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.067631"
                                 y3="-2.425438"
                                 z3="-2.681409"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.519879"
                                 y3="-10.214454"
                                 z3="0.644127"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.180389"
                                 y3="-3.356509"
                                 z3="-3.802479"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.218191"
                                 y3="-0.792783"
                                 z3="-1.317552"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.374913"
                                 y3="-1.577443"
                                 z3="-2.220141"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.219526"
                                 y3="-6.962599"
                                 z3="-3.334795"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.806099"
                                 y3="-2.14604"
                                 z3="-2.82668"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.17858"
                                 y3="-1.247141"
                                 z3="-4.137978"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.595354"
                                 y3="-8.130205"
                                 z3="-1.199041"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.42123"
                                 y3="-9.981004"
                                 z3="-2.933556"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.524436"
                                 y3="-0.607945"
                                 z3="-4.503472"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.05339"
                                 y3="-4.436743"
                                 z3="-6.279213"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.690524"
                                 y3="-2.673043"
                                 z3="-3.306021"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.531592"
                                 y3="-2.727681"
                                 z3="-0.062348"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.332129"
                                 y3="-4.027804"
                                 z3="-6.79833"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.803722"
                                 y3="-5.882808"
                                 z3="-0.033193"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.231926"
                                 y3="0.407908"
                                 z3="-2.082213"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.276284"
                                 y3="-6.531264"
                                 z3="-1.647208"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.943251"
                                 y3="-2.529076"
                                 z3="-1.434326"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.870724"
                                 y3="-0.78132"
                                 z3="-3.332122"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.830369"
                                 y3="-3.429792"
                                 z3="-5.396684"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.964953"
                                 y3="-7.141168"
                                 z3="-3.936074"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.989444"
                                 y3="-3.219716"
                                 z3="-1.489836"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.144952"
                                 y3="-6.671282"
                                 z3="-0.020802"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.27736"
                                 y3="-5.134614"
                                 z3="-0.473672"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.758288"
                                 y3="-3.170974"
                                 z3="-0.510522"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.326291"
                                 y3="-5.351404"
                                 z3="-1.712997"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.577366"
                                 y3="-6.751028"
                                 z3="-4.047658"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.036437"
                                 y3="-5.788999"
                                 z3="-5.440379"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4513,-2.751,-4.4227;-.1395,-3.0049,-3.9293;-.2599,-4.959,-5.9731;.2955,-2.2228,-6.5661;1.9374,-5.0771,-4.22;2.9632,-7.6658,-5.3056;.789,-6.2091,-1.8373;.2819,-7.1822,-4.5975;2.0274,-8.5582,-2.7844;3.5522,-6.1786,-2.8856;4.7306,-4.384,-4.7292;2.3808,-4.1292,-1.4381;3.6007,-10.5352,-2.1431;1.0614,-10.4115,-.6642;1.9133,.0618,-4.555;5.1146,-4.5531,-2.0452;7.2864,-3.2314,-.5316;3.544,-4.2106,-3.4212;6.698,-6.3956,-.6206;2.5891,-9.5045,-.6918;2.0838,-7.8516,-.0561;1.2182,-6.8386,-1.1892;4.0676,-2.4254,-2.6814;3.5199,-10.2145,.6441;6.1804,-3.3565,-3.8025;6.2182,-.7928,-1.3176;1.3749,-1.5774,-2.2201;6.2195,-6.9626,-3.3348;.8061,-2.146,-2.8267;5.1786,-1.2471,-4.138;4.5954,-8.1302,-1.199;3.4212,-9.981,-2.9336;4.5244,-.6079,-4.5035;3.0534,-4.4367,-6.2792;6.6905,-2.673,-3.306;4.5316,-2.7277,-.0623;2.3321,-4.0278,-6.7983;3.8037,-5.8828,-.0332;3.2319,.4079,-2.0822;5.2763,-6.5313,-1.6472;5.9433,-2.5291,-1.4343;2.8707,-.7813,-3.3321;.8304,-3.4298,-5.3967;1.965,-7.1412,-3.9361;1.9894,-3.2197,-1.4898;3.145,-6.6713,-.0208;3.2774,-5.1346,-.4737;3.7583,-3.171,-.5105;1.3263,-5.3514,-1.713;5.5774,-6.751,-4.0477;-.0364,-5.789,-5.4404;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">58</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">58</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55246539</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00128502</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00034410</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00128502</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00034410</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01880155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00253860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.452767"
                                 y3="-2.752005"
                                 z3="-4.422961"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.137341"
                                 y3="-2.998189"
                                 z3="-3.931239"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.261507"
                                 y3="-4.960013"
                                 z3="-5.969488"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.298284"
                                 y3="-2.226326"
                                 z3="-6.569729"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.933843"
                                 y3="-5.076453"
                                 z3="-4.217961"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.9632"
                                 y3="-7.662764"
                                 z3="-5.306384"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.784811"
                                 y3="-6.211173"
                                 z3="-1.834543"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.281441"
                                 y3="-7.182416"
                                 z3="-4.596513"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.028301"
                                 y3="-8.559179"
                                 z3="-2.785515"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.547085"
                                 y3="-6.17825"
                                 z3="-2.882981"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.728966"
                                 y3="-4.389242"
                                 z3="-4.726908"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.380301"
                                 y3="-4.127974"
                                 z3="-1.436945"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.603115"
                                 y3="-10.536345"
                                 z3="-2.144753"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.06244"
                                 y3="-10.410329"
                                 z3="-0.667979"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.915857"
                                 y3="0.060702"
                                 z3="-4.557928"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.11226"
                                 y3="-4.554489"
                                 z3="-2.043206"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.284098"
                                 y3="-3.232486"
                                 z3="-0.53046"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.541544"
                                 y3="-4.210612"
                                 z3="-3.419719"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.698852"
                                 y3="-6.396459"
                                 z3="-0.621471"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.591013"
                                 y3="-9.504934"
                                 z3="-0.693273"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.087296"
                                 y3="-7.852045"
                                 z3="-0.056717"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.216408"
                                 y3="-6.839089"
                                 z3="-1.186432"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.06711"
                                 y3="-2.425636"
                                 z3="-2.680958"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.520696"
                                 y3="-10.217227"
                                 z3="0.642153"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.178303"
                                 y3="-3.357192"
                                 z3="-3.802802"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.22004"
                                 y3="-0.792203"
                                 z3="-1.316571"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.376219"
                                 y3="-1.575308"
                                 z3="-2.2199"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.215935"
                                 y3="-6.956288"
                                 z3="-3.337814"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.808645"
                                 y3="-2.144381"
                                 z3="-2.827327"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.180853"
                                 y3="-1.248154"
                                 z3="-4.137618"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.596921"
                                 y3="-8.13042"
                                 z3="-1.199867"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.421215"
                                 y3="-9.984306"
                                 z3="-2.936097"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.526654"
                                 y3="-0.610192"
                                 z3="-4.505045"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.055351"
                                 y3="-4.43938"
                                 z3="-6.275831"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.690433"
                                 y3="-2.675148"
                                 z3="-3.306444"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.530845"
                                 y3="-2.725261"
                                 z3="-0.062735"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.334284"
                                 y3="-4.031408"
                                 z3="-6.796111"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.804234"
                                 y3="-5.884066"
                                 z3="-0.032146"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.234512"
                                 y3="0.409005"
                                 z3="-2.085329"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.276234"
                                 y3="-6.53003"
                                 z3="-1.646883"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.943212"
                                 y3="-2.528015"
                                 z3="-1.434262"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.872009"
                                 y3="-0.781553"
                                 z3="-3.333519"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.830783"
                                 y3="-3.431707"
                                 z3="-5.397297"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.965024"
                                 y3="-7.141611"
                                 z3="-3.935584"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.987925"
                                 y3="-3.219047"
                                 z3="-1.488514"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.145013"
                                 y3="-6.672898"
                                 z3="-0.019834"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.277978"
                                 y3="-5.136261"
                                 z3="-0.472178"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.758203"
                                 y3="-3.16951"
                                 z3="-0.511489"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.320499"
                                 y3="-5.353289"
                                 z3="-1.712791"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.576307"
                                 y3="-6.732226"
                                 z3="-4.049348"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.036751"
                                 y3="-5.790828"
                                 z3="-5.438162"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4528,-2.752,-4.423;-.1373,-2.9982,-3.9312;-.2615,-4.96,-5.9695;.2983,-2.2263,-6.5697;1.9338,-5.0765,-4.218;2.9632,-7.6628,-5.3064;.7848,-6.2112,-1.8345;.2814,-7.1824,-4.5965;2.0283,-8.5592,-2.7855;3.5471,-6.1783,-2.883;4.729,-4.3892,-4.7269;2.3803,-4.128,-1.4369;3.6031,-10.5363,-2.1448;1.0624,-10.4103,-.668;1.9159,.0607,-4.5579;5.1123,-4.5545,-2.0432;7.2841,-3.2325,-.5305;3.5415,-4.2106,-3.4197;6.6989,-6.3965,-.6215;2.591,-9.5049,-.6933;2.0873,-7.852,-.0567;1.2164,-6.8391,-1.1864;4.0671,-2.4256,-2.681;3.5207,-10.2172,.6422;6.1783,-3.3572,-3.8028;6.22,-.7922,-1.3166;1.3762,-1.5753,-2.2199;6.2159,-6.9563,-3.3378;.8086,-2.1444,-2.8273;5.1809,-1.2482,-4.1376;4.5969,-8.1304,-1.1999;3.4212,-9.9843,-2.9361;4.5267,-.6102,-4.505;3.0554,-4.4394,-6.2758;6.6904,-2.6751,-3.3064;4.5308,-2.7253,-.0627;2.3343,-4.0314,-6.7961;3.8042,-5.8841,-.0321;3.2345,.409,-2.0853;5.2762,-6.53,-1.6469;5.9432,-2.528,-1.4343;2.872,-.7816,-3.3335;.8308,-3.4317,-5.3973;1.965,-7.1416,-3.9356;1.9879,-3.219,-1.4885;3.145,-6.6729,-.0198;3.278,-5.1363,-.4722;3.7582,-3.1695,-.5115;1.3205,-5.3533,-1.7128;5.5763,-6.7322,-4.0493;-.0368,-5.7908,-5.4382;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">59</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">59</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55248928</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00104855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00104855</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032904</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02477733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00289408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.453928"
                                 y3="-2.753472"
                                 z3="-4.422272"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.135876"
                                 y3="-2.993229"
                                 z3="-3.930343"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.264371"
                                 y3="-4.961246"
                                 z3="-5.964261"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.297357"
                                 y3="-2.230136"
                                 z3="-6.571139"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.931802"
                                 y3="-5.076258"
                                 z3="-4.217477"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.965304"
                                 y3="-7.660981"
                                 z3="-5.307968"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.780907"
                                 y3="-6.214143"
                                 z3="-1.831771"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.282598"
                                 y3="-7.183259"
                                 z3="-4.596491"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.029713"
                                 y3="-8.560899"
                                 z3="-2.787801"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.542454"
                                 y3="-6.177841"
                                 z3="-2.881217"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.729177"
                                 y3="-4.393088"
                                 z3="-4.723868"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.380126"
                                 y3="-4.126984"
                                 z3="-1.436682"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.604829"
                                 y3="-10.538894"
                                 z3="-2.145375"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.061995"
                                 y3="-10.408336"
                                 z3="-0.672042"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.918973"
                                 y3="0.059814"
                                 z3="-4.560937"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.109907"
                                 y3="-4.556297"
                                 z3="-2.040857"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.281475"
                                 y3="-3.233996"
                                 z3="-0.529029"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.539537"
                                 y3="-4.210919"
                                 z3="-3.418268"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.698531"
                                 y3="-6.398225"
                                 z3="-0.619297"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.592118"
                                 y3="-9.505672"
                                 z3="-0.694939"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.088872"
                                 y3="-7.852619"
                                 z3="-0.0582"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.216165"
                                 y3="-6.841015"
                                 z3="-1.185054"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.067769"
                                 y3="-2.425824"
                                 z3="-2.681006"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.519956"
                                 y3="-10.219044"
                                 z3="0.641124"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.176657"
                                 y3="-3.358696"
                                 z3="-3.80238"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.222443"
                                 y3="-0.791971"
                                 z3="-1.315379"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.37887"
                                 y3="-1.572497"
                                 z3="-2.219449"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.213685"
                                 y3="-6.949208"
                                 z3="-3.339221"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.810424"
                                 y3="-2.141324"
                                 z3="-2.826405"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.183764"
                                 y3="-1.250767"
                                 z3="-4.139714"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.59764"
                                 y3="-8.130848"
                                 z3="-1.201884"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.423448"
                                 y3="-9.987491"
                                 z3="-2.937248"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.529797"
                                 y3="-0.613134"
                                 z3="-4.50803"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.053678"
                                 y3="-4.440919"
                                 z3="-6.275221"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.690833"
                                 y3="-2.67799"
                                 z3="-3.306079"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.529245"
                                 y3="-2.722286"
                                 z3="-0.063967"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.333315"
                                 y3="-4.031298"
                                 z3="-6.79513"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.803038"
                                 y3="-5.884884"
                                 z3="-0.031619"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.239993"
                                 y3="0.409895"
                                 z3="-2.08948"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.276549"
                                 y3="-6.528597"
                                 z3="-1.645603"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.94294"
                                 y3="-2.527179"
                                 z3="-1.434229"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.874582"
                                 y3="-0.781818"
                                 z3="-3.335631"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.829295"
                                 y3="-3.43357"
                                 z3="-5.396287"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.966997"
                                 y3="-7.14275"
                                 z3="-3.936149"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.986678"
                                 y3="-3.218463"
                                 z3="-1.488621"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.143964"
                                 y3="-6.674368"
                                 z3="-0.019267"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.277311"
                                 y3="-5.137512"
                                 z3="-0.472336"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.757182"
                                 y3="-3.167431"
                                 z3="-0.513017"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.315065"
                                 y3="-5.356411"
                                 z3="-1.711722"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.579419"
                                 y3="-6.707449"
                                 z3="-4.050004"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.038339"
                                 y3="-5.793083"
                                 z3="-5.434166"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4539,-2.7535,-4.4223;-.1359,-2.9932,-3.9303;-.2644,-4.9612,-5.9643;.2974,-2.2301,-6.5711;1.9318,-5.0763,-4.2175;2.9653,-7.661,-5.308;.7809,-6.2141,-1.8318;.2826,-7.1833,-4.5965;2.0297,-8.5609,-2.7878;3.5425,-6.1778,-2.8812;4.7292,-4.3931,-4.7239;2.3801,-4.127,-1.4367;3.6048,-10.5389,-2.1454;1.062,-10.4083,-.672;1.919,.0598,-4.5609;5.1099,-4.5563,-2.0409;7.2815,-3.234,-.529;3.5395,-4.2109,-3.4183;6.6985,-6.3982,-.6193;2.5921,-9.5057,-.6949;2.0889,-7.8526,-.0582;1.2162,-6.841,-1.1851;4.0678,-2.4258,-2.681;3.52,-10.219,.6411;6.1767,-3.3587,-3.8024;6.2224,-.792,-1.3154;1.3789,-1.5725,-2.2194;6.2137,-6.9492,-3.3392;.8104,-2.1413,-2.8264;5.1838,-1.2508,-4.1397;4.5976,-8.1308,-1.2019;3.4234,-9.9875,-2.9372;4.5298,-.6131,-4.508;3.0537,-4.4409,-6.2752;6.6908,-2.678,-3.3061;4.5292,-2.7223,-.064;2.3333,-4.0313,-6.7951;3.803,-5.8849,-.0316;3.24,.4099,-2.0895;5.2765,-6.5286,-1.6456;5.9429,-2.5272,-1.4342;2.8746,-.7818,-3.3356;.8293,-3.4336,-5.3963;1.967,-7.1428,-3.9361;1.9867,-3.2185,-1.4886;3.144,-6.6744,-.0193;3.2773,-5.1375,-.4723;3.7572,-3.1674,-.513;1.3151,-5.3564,-1.7117;5.5794,-6.7074,-4.05;-.0383,-5.7931,-5.4342;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">60</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">60</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55250663</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00117778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00117778</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032703</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04877744</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00585096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.454891"
                                 y3="-2.756736"
                                 z3="-4.419997"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.134215"
                                 y3="-2.988425"
                                 z3="-3.925648"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.268414"
                                 y3="-4.964071"
                                 z3="-5.955832"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.291067"
                                 y3="-2.236044"
                                 z3="-6.570505"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.92934"
                                 y3="-5.076815"
                                 z3="-4.217143"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.970527"
                                 y3="-7.659539"
                                 z3="-5.310917"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.771928"
                                 y3="-6.218832"
                                 z3="-1.828708"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.28605"
                                 y3="-7.18553"
                                 z3="-4.598598"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.032942"
                                 y3="-8.565129"
                                 z3="-2.793178"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.534429"
                                 y3="-6.177326"
                                 z3="-2.877865"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.73074"
                                 y3="-4.39909"
                                 z3="-4.717537"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.379156"
                                 y3="-4.125377"
                                 z3="-1.436552"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.60854"
                                 y3="-10.543801"
                                 z3="-2.146297"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.060836"
                                 y3="-10.407288"
                                 z3="-0.680861"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.923557"
                                 y3="0.057843"
                                 z3="-4.565042"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.105467"
                                 y3="-4.559758"
                                 z3="-2.03642"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.281599"
                                 y3="-3.236569"
                                 z3="-0.532647"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.535767"
                                 y3="-4.212276"
                                 z3="-3.415594"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.694071"
                                 y3="-6.400598"
                                 z3="-0.608082"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.593151"
                                 y3="-9.508527"
                                 z3="-0.698389"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.08899"
                                 y3="-7.855772"
                                 z3="-0.060785"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.212163"
                                 y3="-6.844955"
                                 z3="-1.184378"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.069347"
                                 y3="-2.426363"
                                 z3="-2.681433"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.51692"
                                 y3="-10.223402"
                                 z3="0.639558"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.170776"
                                 y3="-3.362939"
                                 z3="-3.805628"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.23022"
                                 y3="-0.791853"
                                 z3="-1.318844"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.384018"
                                 y3="-1.56857"
                                 z3="-2.217893"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.211982"
                                 y3="-6.935967"
                                 z3="-3.335668"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.813056"
                                 y3="-2.136604"
                                 z3="-2.823374"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.18786"
                                 y3="-1.256591"
                                 z3="-4.145887"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.596546"
                                 y3="-8.13147"
                                 z3="-1.204406"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.430241"
                                 y3="-9.992147"
                                 z3="-2.938672"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.534202"
                                 y3="-0.618667"
                                 z3="-4.514012"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.053087"
                                 y3="-4.43316"
                                 z3="-6.273015"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.690095"
                                 y3="-2.685347"
                                 z3="-3.309737"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.531877"
                                 y3="-2.71678"
                                 z3="-0.06727"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.33093"
                                 y3="-4.026087"
                                 z3="-6.792433"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.797231"
                                 y3="-5.885851"
                                 z3="-0.029727"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.250459"
                                 y3="0.410529"
                                 z3="-2.096283"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.275776"
                                 y3="-6.525526"
                                 z3="-1.639465"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.945367"
                                 y3="-2.525986"
                                 z3="-1.438164"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.879106"
                                 y3="-0.782906"
                                 z3="-3.3389"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.824947"
                                 y3="-3.436393"
                                 z3="-5.393244"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.9715"
                                 y3="-7.145526"
                                 z3="-3.938132"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.986016"
                                 y3="-3.216635"
                                 z3="-1.488972"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.13929"
                                 y3="-6.676798"
                                 z3="-0.017909"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.272212"
                                 y3="-5.138669"
                                 z3="-0.471846"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.760178"
                                 y3="-3.162641"
                                 z3="-0.51565"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.303855"
                                 y3="-5.361342"
                                 z3="-1.711443"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.591482"
                                 y3="-6.658671"
                                 z3="-4.046091"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.039437"
                                 y3="-5.797632"
                                 z3="-5.427898"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4549,-2.7567,-4.42;-.1342,-2.9884,-3.9256;-.2684,-4.9641,-5.9558;.2911,-2.236,-6.5705;1.9293,-5.0768,-4.2171;2.9705,-7.6595,-5.3109;.7719,-6.2188,-1.8287;.2861,-7.1855,-4.5986;2.0329,-8.5651,-2.7932;3.5344,-6.1773,-2.8779;4.7307,-4.3991,-4.7175;2.3792,-4.1254,-1.4366;3.6085,-10.5438,-2.1463;1.0608,-10.4073,-.6809;1.9236,.0578,-4.565;5.1055,-4.5598,-2.0364;7.2816,-3.2366,-.5326;3.5358,-4.2123,-3.4156;6.6941,-6.4006,-.6081;2.5932,-9.5085,-.6984;2.089,-7.8558,-.0608;1.2122,-6.845,-1.1844;4.0693,-2.4264,-2.6814;3.5169,-10.2234,.6396;6.1708,-3.3629,-3.8056;6.2302,-.7919,-1.3188;1.384,-1.5686,-2.2179;6.212,-6.936,-3.3357;.8131,-2.1366,-2.8234;5.1879,-1.2566,-4.1459;4.5965,-8.1315,-1.2044;3.4302,-9.9921,-2.9387;4.5342,-.6187,-4.514;3.0531,-4.4332,-6.273;6.6901,-2.6853,-3.3097;4.5319,-2.7168,-.0673;2.3309,-4.0261,-6.7924;3.7972,-5.8859,-.0297;3.2505,.4105,-2.0963;5.2758,-6.5255,-1.6395;5.9454,-2.526,-1.4382;2.8791,-.7829,-3.3389;.8249,-3.4364,-5.3932;1.9715,-7.1455,-3.9381;1.986,-3.2166,-1.489;3.1393,-6.6768,-.0179;3.2722,-5.1387,-.4718;3.7602,-3.1626,-.5157;1.3039,-5.3613,-1.7114;5.5915,-6.6587,-4.0461;-.0394,-5.7976,-5.4279;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">61</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">61</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55255261</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00161430</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00042622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00161430</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00042622</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05424720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00666554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.454767"
                                 y3="-2.759722"
                                 z3="-4.417329"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.133276"
                                 y3="-2.983408"
                                 z3="-3.918674"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.273815"
                                 y3="-4.966721"
                                 z3="-5.945644"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.281253"
                                 y3="-2.242321"
                                 z3="-6.568609"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.928155"
                                 y3="-5.077443"
                                 z3="-4.218535"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.974776"
                                 y3="-7.660517"
                                 z3="-5.313862"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.764289"
                                 y3="-6.222389"
                                 z3="-1.825305"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.289899"
                                 y3="-7.186607"
                                 z3="-4.600664"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.035573"
                                 y3="-8.570223"
                                 z3="-2.798843"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.527113"
                                 y3="-6.176768"
                                 z3="-2.875297"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.733386"
                                 y3="-4.404299"
                                 z3="-4.711371"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.378193"
                                 y3="-4.122308"
                                 z3="-1.437467"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.612632"
                                 y3="-10.54833"
                                 z3="-2.148362"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.060254"
                                 y3="-10.409102"
                                 z3="-0.689648"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.929335"
                                 y3="0.056912"
                                 z3="-4.570391"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.100551"
                                 y3="-4.562882"
                                 z3="-2.031879"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.280785"
                                 y3="-3.239671"
                                 z3="-0.535508"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.532342"
                                 y3="-4.213653"
                                 z3="-3.413757"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.687809"
                                 y3="-6.404319"
                                 z3="-0.593702"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.594195"
                                 y3="-9.513297"
                                 z3="-0.702592"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.087893"
                                 y3="-7.861096"
                                 z3="-0.063647"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.20864"
                                 y3="-6.849101"
                                 z3="-1.184038"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.072199"
                                 y3="-2.426451"
                                 z3="-2.683129"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.514503"
                                 y3="-10.229031"
                                 z3="0.63719"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.168903"
                                 y3="-3.371758"
                                 z3="-3.805369"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.237849"
                                 y3="-0.79223"
                                 z3="-1.322919"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.389358"
                                 y3="-1.561986"
                                 z3="-2.218097"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.2133"
                                 y3="-6.92208"
                                 z3="-3.32936"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.814388"
                                 y3="-2.129074"
                                 z3="-2.820784"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.191198"
                                 y3="-1.264487"
                                 z3="-4.155025"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.593775"
                                 y3="-8.131751"
                                 z3="-1.209091"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.438739"
                                 y3="-9.994775"
                                 z3="-2.940346"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.538562"
                                 y3="-0.625013"
                                 z3="-4.522085"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.048287"
                                 y3="-4.426567"
                                 z3="-6.27221"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.690066"
                                 y3="-2.69379"
                                 z3="-3.311289"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.53307"
                                 y3="-2.711767"
                                 z3="-0.070828"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.325207"
                                 y3="-4.019605"
                                 z3="-6.790463"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.790504"
                                 y3="-5.887676"
                                 z3="-0.027217"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.262885"
                                 y3="0.411945"
                                 z3="-2.104644"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.274867"
                                 y3="-6.522561"
                                 z3="-1.632709"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.94675"
                                 y3="-2.525174"
                                 z3="-1.441766"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.884576"
                                 y3="-0.783292"
                                 z3="-3.343371"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.81862"
                                 y3="-3.438602"
                                 z3="-5.388857"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.976482"
                                 y3="-7.148423"
                                 z3="-3.940242"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.985286"
                                 y3="-3.21346"
                                 z3="-1.490813"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.134234"
                                 y3="-6.680383"
                                 z3="-0.016964"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.266102"
                                 y3="-5.140112"
                                 z3="-0.470173"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.761132"
                                 y3="-3.1580"
                                 z3="-0.518123"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.295354"
                                 y3="-5.365311"
                                 z3="-1.710518"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.611865"
                                 y3="-6.604424"
                                 z3="-4.039861"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.041093"
                                 y3="-5.801508"
                                 z3="-5.419223"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4548,-2.7597,-4.4173;-.1333,-2.9834,-3.9187;-.2738,-4.9667,-5.9456;.2813,-2.2423,-6.5686;1.9282,-5.0774,-4.2185;2.9748,-7.6605,-5.3139;.7643,-6.2224,-1.8253;.2899,-7.1866,-4.6007;2.0356,-8.5702,-2.7988;3.5271,-6.1768,-2.8753;4.7334,-4.4043,-4.7114;2.3782,-4.1223,-1.4375;3.6126,-10.5483,-2.1484;1.0603,-10.4091,-.6896;1.9293,.0569,-4.5704;5.1006,-4.5629,-2.0319;7.2808,-3.2397,-.5355;3.5323,-4.2137,-3.4138;6.6878,-6.4043,-.5937;2.5942,-9.5133,-.7026;2.0879,-7.8611,-.0636;1.2086,-6.8491,-1.184;4.0722,-2.4265,-2.6831;3.5145,-10.229,.6372;6.1689,-3.3718,-3.8054;6.2378,-.7922,-1.3229;1.3894,-1.562,-2.2181;6.2133,-6.9221,-3.3294;.8144,-2.1291,-2.8208;5.1912,-1.2645,-4.155;4.5938,-8.1318,-1.2091;3.4387,-9.9948,-2.9403;4.5386,-.625,-4.5221;3.0483,-4.4266,-6.2722;6.6901,-2.6938,-3.3113;4.5331,-2.7118,-.0708;2.3252,-4.0196,-6.7905;3.7905,-5.8877,-.0272;3.2629,.4119,-2.1046;5.2749,-6.5226,-1.6327;5.9467,-2.5252,-1.4418;2.8846,-.7833,-3.3434;.8186,-3.4386,-5.3889;1.9765,-7.1484,-3.9402;1.9853,-3.2135,-1.4908;3.1342,-6.6804,-.017;3.2661,-5.1401,-.4702;3.7611,-3.158,-.5181;1.2954,-5.3653,-1.7105;5.6119,-6.6044,-4.0399;-.0411,-5.8015,-5.4192;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">62</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">62</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55257159</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00194454</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00051542</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00194454</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00051542</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15225792</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01886190</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.453871"
                                 y3="-2.768167"
                                 z3="-4.409481"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.129714"
                                 y3="-2.972405"
                                 z3="-3.898635"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.288501"
                                 y3="-4.974367"
                                 z3="-5.919206"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.252714"
                                 y3="-2.259305"
                                 z3="-6.561596"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.924602"
                                 y3="-5.080047"
                                 z3="-4.223509"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.986714"
                                 y3="-7.663378"
                                 z3="-5.323632"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.742717"
                                 y3="-6.23231"
                                 z3="-1.817118"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.30093"
                                 y3="-7.189741"
                                 z3="-4.6071"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.043212"
                                 y3="-8.583478"
                                 z3="-2.815052"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.506979"
                                 y3="-6.175451"
                                 z3="-2.868748"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.741492"
                                 y3="-4.419613"
                                 z3="-4.693441"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.376158"
                                 y3="-4.114231"
                                 z3="-1.440192"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.623242"
                                 y3="-10.560263"
                                 z3="-2.152442"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.056851"
                                 y3="-10.41261"
                                 z3="-0.714727"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.942956"
                                 y3="0.054095"
                                 z3="-4.582223"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.087414"
                                 y3="-4.572069"
                                 z3="-2.019719"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.281306"
                                 y3="-3.250435"
                                 z3="-0.547921"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.522288"
                                 y3="-4.21783"
                                 z3="-3.409241"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.669659"
                                 y3="-6.414862"
                                 z3="-0.553356"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.595334"
                                 y3="-9.525101"
                                 z3="-0.714087"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.083444"
                                 y3="-7.874137"
                                 z3="-0.072565"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.198543"
                                 y3="-6.859834"
                                 z3="-1.183952"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.079613"
                                 y3="-2.427141"
                                 z3="-2.688175"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.5048"
                                 y3="-10.242983"
                                 z3="0.631743"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.160282"
                                 y3="-3.395098"
                                 z3="-3.808033"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.261264"
                                 y3="-0.794638"
                                 z3="-1.337184"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.40339"
                                 y3="-1.545017"
                                 z3="-2.217347"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.21816"
                                 y3="-6.884097"
                                 z3="-3.310117"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.818358"
                                 y3="-2.109851"
                                 z3="-2.812743"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.198049"
                                 y3="-1.285525"
                                 z3="-4.179894"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.584286"
                                 y3="-8.13189"
                                 z3="-1.222063"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.462623"
                                 y3="-10.001756"
                                 z3="-2.943636"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.54797"
                                 y3="-0.641772"
                                 z3="-4.543417"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.035346"
                                 y3="-4.406441"
                                 z3="-6.270386"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.688462"
                                 y3="-2.71807"
                                 z3="-3.318228"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.540067"
                                 y3="-2.698732"
                                 z3="-0.080079"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.309111"
                                 y3="-4.000672"
                                 z3="-6.785173"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.771108"
                                 y3="-5.891495"
                                 z3="-0.02092"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.295302"
                                 y3="0.41492"
                                 z3="-2.125274"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.27179"
                                 y3="-6.514613"
                                 z3="-1.613403"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.952199"
                                 y3="-2.524167"
                                 z3="-1.453564"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.898506"
                                 y3="-0.784755"
                                 z3="-3.353752"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.801065"
                                 y3="-3.445559"
                                 z3="-5.376747"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.990789"
                                 y3="-7.15643"
                                 z3="-3.947621"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.985807"
                                 y3="-3.204238"
                                 z3="-1.494454"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.119095"
                                 y3="-6.688468"
                                 z3="-0.015034"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.248504"
                                 y3="-5.143094"
                                 z3="-0.466934"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.766723"
                                 y3="-3.145551"
                                 z3="-0.523278"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.271929"
                                 y3="-5.377065"
                                 z3="-1.709398"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.680006"
                                 y3="-6.452166"
                                 z3="-4.012726"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.045089"
                                 y3="-5.812706"
                                 z3="-5.397626"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4539,-2.7682,-4.4095;-.1297,-2.9724,-3.8986;-.2885,-4.9744,-5.9192;.2527,-2.2593,-6.5616;1.9246,-5.08,-4.2235;2.9867,-7.6634,-5.3236;.7427,-6.2323,-1.8171;.3009,-7.1897,-4.6071;2.0432,-8.5835,-2.8151;3.507,-6.1755,-2.8687;4.7415,-4.4196,-4.6934;2.3762,-4.1142,-1.4402;3.6232,-10.5603,-2.1524;1.0569,-10.4126,-.7147;1.943,.0541,-4.5822;5.0874,-4.5721,-2.0197;7.2813,-3.2504,-.5479;3.5223,-4.2178,-3.4092;6.6697,-6.4149,-.5534;2.5953,-9.5251,-.7141;2.0834,-7.8741,-.0726;1.1985,-6.8598,-1.184;4.0796,-2.4271,-2.6882;3.5048,-10.243,.6317;6.1603,-3.3951,-3.808;6.2613,-.7946,-1.3372;1.4034,-1.545,-2.2173;6.2182,-6.8841,-3.3101;.8184,-2.1099,-2.8127;5.198,-1.2855,-4.1799;4.5843,-8.1319,-1.2221;3.4626,-10.0018,-2.9436;4.548,-.6418,-4.5434;3.0353,-4.4064,-6.2704;6.6885,-2.7181,-3.3182;4.5401,-2.6987,-.0801;2.3091,-4.0007,-6.7852;3.7711,-5.8915,-.0209;3.2953,.4149,-2.1253;5.2718,-6.5146,-1.6134;5.9522,-2.5242,-1.4536;2.8985,-.7848,-3.3538;.8011,-3.4456,-5.3767;1.9908,-7.1564,-3.9476;1.9858,-3.2042,-1.4945;3.1191,-6.6885,-.015;3.2485,-5.1431,-.4669;3.7667,-3.1456,-.5233;1.2719,-5.3771,-1.7094;5.68,-6.4522,-4.0127;-.0451,-5.8127,-5.3976;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">63</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">63</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55259249</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00445900</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00096672</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00445900</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00096672</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12847357</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01659543</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.453727"
                                 y3="-2.775276"
                                 z3="-4.403533"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.124532"
                                 y3="-2.962069"
                                 z3="-3.881776"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.303101"
                                 y3="-4.980386"
                                 z3="-5.895594"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.227512"
                                 y3="-2.27358"
                                 z3="-6.554825"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.920877"
                                 y3="-5.082413"
                                 z3="-4.227965"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.996467"
                                 y3="-7.66394"
                                 z3="-5.333088"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.72488"
                                 y3="-6.240632"
                                 z3="-1.81049"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.310036"
                                 y3="-7.191869"
                                 z3="-4.613186"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.050341"
                                 y3="-8.593914"
                                 z3="-2.829594"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.489144"
                                 y3="-6.173881"
                                 z3="-2.862587"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.749667"
                                 y3="-4.43426"
                                 z3="-4.676737"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.374088"
                                 y3="-4.107038"
                                 z3="-1.441843"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.632896"
                                 y3="-10.56951"
                                 z3="-2.157089"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.05392"
                                 y3="-10.415981"
                                 z3="-0.739086"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.954339"
                                 y3="0.051251"
                                 z3="-4.592436"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.07656"
                                 y3="-4.579745"
                                 z3="-2.009168"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.284079"
                                 y3="-3.260262"
                                 z3="-0.561244"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.513438"
                                 y3="-4.2213"
                                 z3="-3.405631"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.652152"
                                 y3="-6.422564"
                                 z3="-0.517418"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.595804"
                                 y3="-9.534836"
                                 z3="-0.72538"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.07903"
                                 y3="-7.885253"
                                 z3="-0.081583"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.190052"
                                 y3="-6.868387"
                                 z3="-1.183953"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.085156"
                                 y3="-2.427941"
                                 z3="-2.692343"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.495366"
                                 y3="-10.255432"
                                 z3="0.625577"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.149961"
                                 y3="-3.410705"
                                 z3="-3.814382"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.282819"
                                 y3="-0.797638"
                                 z3="-1.351178"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.415064"
                                 y3="-1.530437"
                                 z3="-2.216919"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.222263"
                                 y3="-6.851688"
                                 z3="-3.291948"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.823232"
                                 y3="-2.094453"
                                 z3="-2.806701"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.202828"
                                 y3="-1.303373"
                                 z3="-4.200084"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.575551"
                                 y3="-8.132132"
                                 z3="-1.233534"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.484275"
                                 y3="-10.006861"
                                 z3="-2.947611"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.555058"
                                 y3="-0.656219"
                                 z3="-4.561189"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.021879"
                                 y3="-4.394166"
                                 z3="-6.269168"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.686299"
                                 y3="-2.737716"
                                 z3="-3.32617"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.548717"
                                 y3="-2.688239"
                                 z3="-0.087141"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.293767"
                                 y3="-3.987598"
                                 z3="-6.780716"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.753311"
                                 y3="-5.89507"
                                 z3="-0.014761"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.321664"
                                 y3="0.417701"
                                 z3="-2.14244"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.267873"
                                 y3="-6.508255"
                                 z3="-1.595997"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.958213"
                                 y3="-2.524178"
                                 z3="-1.464708"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.910013"
                                 y3="-0.785774"
                                 z3="-3.362262"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.786232"
                                 y3="-3.451976"
                                 z3="-5.366784"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="2.002513"
                                 y3="-7.162448"
                                 z3="-3.954632"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.986858"
                                 y3="-3.195633"
                                 z3="-1.496286"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.104597"
                                 y3="-6.69544"
                                 z3="-0.013413"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.232601"
                                 y3="-5.146007"
                                 z3="-0.46339"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.773421"
                                 y3="-3.134536"
                                 z3="-0.526408"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.252701"
                                 y3="-5.386832"
                                 z3="-1.70897"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.748729"
                                 y3="-6.323693"
                                 z3="-3.97703"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.050617"
                                 y3="-5.822026"
                                 z3="-5.378612"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4537,-2.7753,-4.4035;-.1245,-2.9621,-3.8818;-.3031,-4.9804,-5.8956;.2275,-2.2736,-6.5548;1.9209,-5.0824,-4.228;2.9965,-7.6639,-5.3331;.7249,-6.2406,-1.8105;.31,-7.1919,-4.6132;2.0503,-8.5939,-2.8296;3.4891,-6.1739,-2.8626;4.7497,-4.4343,-4.6767;2.3741,-4.107,-1.4418;3.6329,-10.5695,-2.1571;1.0539,-10.416,-.7391;1.9543,.0513,-4.5924;5.0766,-4.5797,-2.0092;7.2841,-3.2603,-.5612;3.5134,-4.2213,-3.4056;6.6522,-6.4226,-.5174;2.5958,-9.5348,-.7254;2.079,-7.8853,-.0816;1.1901,-6.8684,-1.184;4.0852,-2.4279,-2.6923;3.4954,-10.2554,.6256;6.15,-3.4107,-3.8144;6.2828,-.7976,-1.3512;1.4151,-1.5304,-2.2169;6.2223,-6.8517,-3.2919;.8232,-2.0945,-2.8067;5.2028,-1.3034,-4.2001;4.5756,-8.1321,-1.2335;3.4843,-10.0069,-2.9476;4.5551,-.6562,-4.5612;3.0219,-4.3942,-6.2692;6.6863,-2.7377,-3.3262;4.5487,-2.6882,-.0871;2.2938,-3.9876,-6.7807;3.7533,-5.8951,-.0148;3.3217,.4177,-2.1424;5.2679,-6.5083,-1.596;5.9582,-2.5242,-1.4647;2.91,-.7858,-3.3623;.7862,-3.452,-5.3668;2.0025,-7.1624,-3.9546;1.9869,-3.1956,-1.4963;3.1046,-6.6954,-.0134;3.2326,-5.146,-.4634;3.7734,-3.1345,-.5264;1.2527,-5.3868,-1.709;5.7487,-6.3237,-3.977;-.0506,-5.822,-5.3786;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">64</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">64</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55247592</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00627580</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00133794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00627580</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00133794</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00595143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00220218</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.454953"
                                 y3="-2.774453"
                                 z3="-4.40597"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.122385"
                                 y3="-2.959138"
                                 z3="-3.882673"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.307025"
                                 y3="-4.978224"
                                 z3="-5.894114"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.22656"
                                 y3="-2.272034"
                                 z3="-6.555377"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.919992"
                                 y3="-5.081285"
                                 z3="-4.227621"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.994975"
                                 y3="-7.661054"
                                 z3="-5.333343"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.729922"
                                 y3="-6.239911"
                                 z3="-1.809308"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.308583"
                                 y3="-7.192242"
                                 z3="-4.611237"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.051953"
                                 y3="-8.594105"
                                 z3="-2.829227"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.488737"
                                 y3="-6.17296"
                                 z3="-2.860326"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.751927"
                                 y3="-4.436855"
                                 z3="-4.675348"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.372487"
                                 y3="-4.105118"
                                 z3="-1.43995"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.634948"
                                 y3="-10.568953"
                                 z3="-2.160245"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.057039"
                                 y3="-10.420658"
                                 z3="-0.740438"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.956174"
                                 y3="0.052071"
                                 z3="-4.595622"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.076406"
                                 y3="-4.578068"
                                 z3="-2.008493"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.284765"
                                 y3="-3.259077"
                                 z3="-0.559684"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.51391"
                                 y3="-4.220976"
                                 z3="-3.405962"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.64688"
                                 y3="-6.420823"
                                 z3="-0.512307"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.597279"
                                 y3="-9.536462"
                                 z3="-0.727483"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.079487"
                                 y3="-7.887677"
                                 z3="-0.082268"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.193097"
                                 y3="-6.868892"
                                 z3="-1.182842"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.085447"
                                 y3="-2.428143"
                                 z3="-2.692492"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.498449"
                                 y3="-10.257885"
                                 z3="0.622096"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.14906"
                                 y3="-3.407224"
                                 z3="-3.815194"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.281537"
                                 y3="-0.798047"
                                 z3="-1.35216"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.416001"
                                 y3="-1.527435"
                                 z3="-2.220192"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.221745"
                                 y3="-6.852959"
                                 z3="-3.289833"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.824521"
                                 y3="-2.091581"
                                 z3="-2.810341"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.202337"
                                 y3="-1.306711"
                                 z3="-4.201768"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.575072"
                                 y3="-8.133911"
                                 z3="-1.235192"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.487348"
                                 y3="-10.005334"
                                 z3="-2.950297"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.555987"
                                 y3="-0.658563"
                                 z3="-4.563709"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.017494"
                                 y3="-4.400117"
                                 z3="-6.270438"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.686482"
                                 y3="-2.736658"
                                 z3="-3.324761"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.548461"
                                 y3="-2.688906"
                                 z3="-0.085168"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.290598"
                                 y3="-3.991207"
                                 z3="-6.781817"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.751002"
                                 y3="-5.898631"
                                 z3="-0.012196"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.323575"
                                 y3="0.419665"
                                 z3="-2.145641"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.265286"
                                 y3="-6.509857"
                                 z3="-1.594961"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.957887"
                                 y3="-2.525126"
                                 z3="-1.463225"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.911687"
                                 y3="-0.784489"
                                 z3="-3.364892"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.786245"
                                 y3="-3.45106"
                                 z3="-5.368236"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="2.001174"
                                 y3="-7.161388"
                                 z3="-3.954019"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.985017"
                                 y3="-3.193931"
                                 z3="-1.495466"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.102135"
                                 y3="-6.699359"
                                 z3="-0.013288"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.23084"
                                 y3="-5.148979"
                                 z3="-0.459492"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.77209"
                                 y3="-3.13421"
                                 z3="-0.523703"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.258563"
                                 y3="-5.385116"
                                 z3="-1.707165"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.749777"
                                 y3="-6.320887"
                                 z3="-3.973501"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.05476"
                                 y3="-5.81967"
                                 z3="-5.376523"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.455,-2.7745,-4.406;-.1224,-2.9591,-3.8827;-.307,-4.9782,-5.8941;.2266,-2.272,-6.5554;1.92,-5.0813,-4.2276;2.995,-7.6611,-5.3333;.7299,-6.2399,-1.8093;.3086,-7.1922,-4.6112;2.052,-8.5941,-2.8292;3.4887,-6.173,-2.8603;4.7519,-4.4369,-4.6753;2.3725,-4.1051,-1.44;3.6349,-10.569,-2.1602;1.057,-10.4207,-.7404;1.9562,.0521,-4.5956;5.0764,-4.5781,-2.0085;7.2848,-3.2591,-.5597;3.5139,-4.221,-3.406;6.6469,-6.4208,-.5123;2.5973,-9.5365,-.7275;2.0795,-7.8877,-.0823;1.1931,-6.8689,-1.1828;4.0854,-2.4281,-2.6925;3.4984,-10.2579,.6221;6.1491,-3.4072,-3.8152;6.2815,-.798,-1.3522;1.416,-1.5274,-2.2202;6.2217,-6.853,-3.2898;.8245,-2.0916,-2.8103;5.2023,-1.3067,-4.2018;4.5751,-8.1339,-1.2352;3.4873,-10.0053,-2.9503;4.556,-.6586,-4.5637;3.0175,-4.4001,-6.2704;6.6865,-2.7367,-3.3248;4.5485,-2.6889,-.0852;2.2906,-3.9912,-6.7818;3.751,-5.8986,-.0122;3.3236,.4197,-2.1456;5.2653,-6.5099,-1.595;5.9579,-2.5251,-1.4632;2.9117,-.7845,-3.3649;.7862,-3.4511,-5.3682;2.0012,-7.1614,-3.954;1.985,-3.1939,-1.4955;3.1021,-6.6994,-.0133;3.2308,-5.149,-.4595;3.7721,-3.1342,-.5237;1.2586,-5.3851,-1.7072;5.7498,-6.3209,-3.9735;-.0548,-5.8197,-5.3765;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">65</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">65</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55257658</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00550536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00116791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00550536</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00116791</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.16623766</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02421494</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.457603"
                                 y3="-2.779921"
                                 z3="-4.40974"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.107181"
                                 y3="-2.935632"
                                 z3="-3.870191"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.341266"
                                 y3="-4.976069"
                                 z3="-5.860551"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.2004"
                                 y3="-2.279426"
                                 z3="-6.54908"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.909745"
                                 y3="-5.080513"
                                 z3="-4.233249"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.993835"
                                 y3="-7.648909"
                                 z3="-5.345523"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.727608"
                                 y3="-6.242477"
                                 z3="-1.795069"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.308194"
                                 y3="-7.193514"
                                 z3="-4.60733"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.062842"
                                 y3="-8.602467"
                                 z3="-2.841977"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.464108"
                                 y3="-6.169036"
                                 z3="-2.840433"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.770881"
                                 y3="-4.471597"
                                 z3="-4.645157"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.363798"
                                 y3="-4.089412"
                                 z3="-1.435524"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.65231"
                                 y3="-10.573089"
                                 z3="-2.185042"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.069797"
                                 y3="-10.441569"
                                 z3="-0.773902"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.974853"
                                 y3="0.049397"
                                 z3="-4.621031"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.061019"
                                 y3="-4.580582"
                                 z3="-1.991128"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.285097"
                                 y3="-3.269754"
                                 z3="-0.566302"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.503228"
                                 y3="-4.224626"
                                 z3="-3.403548"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.601635"
                                 y3="-6.420398"
                                 z3="-0.44722"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.607058"
                                 y3="-9.552428"
                                 z3="-0.751149"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.085564"
                                 y3="-7.908138"
                                 z3="-0.094528"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.194379"
                                 y3="-6.873899"
                                 z3="-1.174979"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.092924"
                                 y3="-2.431997"
                                 z3="-2.700345"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.506945"
                                 y3="-10.283711"
                                 z3="0.594282"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.13317"
                                 y3="-3.412891"
                                 z3="-3.826323"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.298941"
                                 y3="-0.805686"
                                 z3="-1.369608"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.434989"
                                 y3="-1.498726"
                                 z3="-2.232045"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.224391"
                                 y3="-6.813008"
                                 z3="-3.262029"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.839776"
                                 y3="-2.064975"
                                 z3="-2.817561"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.204637"
                                 y3="-1.336771"
                                 z3="-4.22752"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.566208"
                                 y3="-8.142097"
                                 z3="-1.258101"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.511678"
                                 y3="-10.00513"
                                 z3="-2.9729"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.564188"
                                 y3="-0.68734"
                                 z3="-4.597242"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.981271"
                                 y3="-4.419161"
                                 z3="-6.275969"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.685133"
                                 y3="-2.759072"
                                 z3="-3.327406"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.552588"
                                 y3="-2.680524"
                                 z3="-0.085671"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.260385"
                                 y3="-3.995525"
                                 z3="-6.78304"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.727037"
                                 y3="-5.914125"
                                 z3="0.005464"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.359078"
                                 y3="0.433334"
                                 z3="-2.182202"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.25082"
                                 y3="-6.51018"
                                 z3="-1.57067"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.960417"
                                 y3="-2.531413"
                                 z3="-1.468677"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.930449"
                                 y3="-0.781278"
                                 z3="-3.385903"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.770447"
                                 y3="-3.456216"
                                 z3="-5.364062"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="2.004763"
                                 y3="-7.162082"
                                 z3="-3.958883"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.983707"
                                 y3="-3.175708"
                                 z3="-1.492602"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.080955"
                                 y3="-6.721312"
                                 z3="-0.012568"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.214115"
                                 y3="-5.162747"
                                 z3="-0.440841"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.772806"
                                 y3="-3.127845"
                                 z3="-0.518345"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.260068"
                                 y3="-5.389045"
                                 z3="-1.701102"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.84953"
                                 y3="-6.15465"
                                 z3="-3.899074"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.0752"
                                 y3="-5.820672"
                                 z3="-5.349817"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4576,-2.7799,-4.4097;-.1072,-2.9356,-3.8702;-.3413,-4.9761,-5.8606;.2004,-2.2794,-6.5491;1.9097,-5.0805,-4.2332;2.9938,-7.6489,-5.3455;.7276,-6.2425,-1.7951;.3082,-7.1935,-4.6073;2.0628,-8.6025,-2.842;3.4641,-6.169,-2.8404;4.7709,-4.4716,-4.6452;2.3638,-4.0894,-1.4355;3.6523,-10.5731,-2.185;1.0698,-10.4416,-.7739;1.9749,.0494,-4.621;5.061,-4.5806,-1.9911;7.2851,-3.2698,-.5663;3.5032,-4.2246,-3.4035;6.6016,-6.4204,-.4472;2.6071,-9.5524,-.7511;2.0856,-7.9081,-.0945;1.1944,-6.8739,-1.175;4.0929,-2.432,-2.7003;3.5069,-10.2837,.5943;6.1332,-3.4129,-3.8263;6.2989,-.8057,-1.3696;1.435,-1.4987,-2.232;6.2244,-6.813,-3.262;.8398,-2.065,-2.8176;5.2046,-1.3368,-4.2275;4.5662,-8.1421,-1.2581;3.5117,-10.0051,-2.9729;4.5642,-.6873,-4.5972;2.9813,-4.4192,-6.276;6.6851,-2.7591,-3.3274;4.5526,-2.6805,-.0857;2.2604,-3.9955,-6.783;3.727,-5.9141,.0055;3.3591,.4333,-2.1822;5.2508,-6.5102,-1.5707;5.9604,-2.5314,-1.4687;2.9304,-.7813,-3.3859;.7704,-3.4562,-5.3641;2.0048,-7.1621,-3.9589;1.9837,-3.1757,-1.4926;3.081,-6.7213,-.0126;3.2141,-5.1627,-.4408;3.7728,-3.1278,-.5183;1.2601,-5.389,-1.7011;5.8495,-6.1547,-3.8991;-.0752,-5.8207,-5.3498;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">66</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">66</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55274040</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00519204</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00127626</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00519204</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00127626</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12245696</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01744077</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.455056"
                                 y3="-2.773343"
                                 z3="-4.415561"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.1108"
                                 y3="-2.957136"
                                 z3="-3.881692"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.326286"
                                 y3="-4.969192"
                                 z3="-5.888117"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.226076"
                                 y3="-2.255013"
                                 z3="-6.544756"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.919781"
                                 y3="-5.082498"
                                 z3="-4.235481"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.986203"
                                 y3="-7.652222"
                                 z3="-5.334092"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.74987"
                                 y3="-6.229182"
                                 z3="-1.810244"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.300803"
                                 y3="-7.191452"
                                 z3="-4.606925"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.05272"
                                 y3="-8.589813"
                                 z3="-2.824266"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.487329"
                                 y3="-6.172141"
                                 z3="-2.844702"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.770509"
                                 y3="-4.455648"
                                 z3="-4.660133"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.36479"
                                 y3="-4.102848"
                                 z3="-1.434206"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.637772"
                                 y3="-10.562191"
                                 z3="-2.178516"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.070482"
                                 y3="-10.440897"
                                 z3="-0.745863"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.955959"
                                 y3="0.049047"
                                 z3="-4.603291"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.076444"
                                 y3="-4.571707"
                                 z3="-2.000424"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.293762"
                                 y3="-3.257205"
                                 z3="-0.567862"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.514654"
                                 y3="-4.223869"
                                 z3="-3.410014"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.604716"
                                 y3="-6.409954"
                                 z3="-0.459467"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.601982"
                                 y3="-9.540867"
                                 z3="-0.738488"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.085756"
                                 y3="-7.89488"
                                 z3="-0.086622"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.202224"
                                 y3="-6.859674"
                                 z3="-1.179965"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.087679"
                                 y3="-2.435098"
                                 z3="-2.695862"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.514942"
                                 y3="-10.266169"
                                 z3="0.601638"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.140461"
                                 y3="-3.394105"
                                 z3="-3.83148"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.277733"
                                 y3="-0.802337"
                                 z3="-1.363747"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.421996"
                                 y3="-1.520016"
                                 z3="-2.227316"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.231383"
                                 y3="-6.850088"
                                 z3="-3.267942"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.838126"
                                 y3="-2.092348"
                                 z3="-2.818096"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.197264"
                                 y3="-1.308377"
                                 z3="-4.199221"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.569597"
                                 y3="-8.142309"
                                 z3="-1.245004"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.478509"
                                 y3="-10.002484"
                                 z3="-2.968714"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.549141"
                                 y3="-0.670412"
                                 z3="-4.576298"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.989757"
                                 y3="-4.435982"
                                 z3="-6.284266"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.686164"
                                 y3="-2.738622"
                                 z3="-3.329496"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.553417"
                                 y3="-2.691449"
                                 z3="-0.077303"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.272157"
                                 y3="-4.007794"
                                 z3="-6.791943"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.739953"
                                 y3="-5.905156"
                                 z3="-0.002241"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.323687"
                                 y3="0.431492"
                                 z3="-2.15954"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.254008"
                                 y3="-6.518732"
                                 z3="-1.581883"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.957766"
                                 y3="-2.532377"
                                 z3="-1.463545"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.914199"
                                 y3="-0.781564"
                                 z3="-3.371628"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.787001"
                                 y3="-3.449313"
                                 z3="-5.37328"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.991719"
                                 y3="-7.157398"
                                 z3="-3.953049"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.991531"
                                 y3="-3.186611"
                                 z3="-1.486427"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.09036"
                                 y3="-6.709101"
                                 z3="-0.018222"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.227754"
                                 y3="-5.156897"
                                 z3="-0.451602"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.776981"
                                 y3="-3.143842"
                                 z3="-0.511745"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.287517"
                                 y3="-5.376525"
                                 z3="-1.707494"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.785994"
                                 y3="-6.277107"
                                 z3="-3.93833"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.064876"
                                 y3="-5.811204"
                                 z3="-5.378683"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4551,-2.7733,-4.4156;-.1108,-2.9571,-3.8817;-.3263,-4.9692,-5.8881;.2261,-2.255,-6.5448;1.9198,-5.0825,-4.2355;2.9862,-7.6522,-5.3341;.7499,-6.2292,-1.8102;.3008,-7.1915,-4.6069;2.0527,-8.5898,-2.8243;3.4873,-6.1721,-2.8447;4.7705,-4.4556,-4.6601;2.3648,-4.1028,-1.4342;3.6378,-10.5622,-2.1785;1.0705,-10.4409,-.7459;1.956,.049,-4.6033;5.0764,-4.5717,-2.0004;7.2938,-3.2572,-.5679;3.5147,-4.2239,-3.41;6.6047,-6.41,-.4595;2.602,-9.5409,-.7385;2.0858,-7.8949,-.0866;1.2022,-6.8597,-1.18;4.0877,-2.4351,-2.6959;3.5149,-10.2662,.6016;6.1405,-3.3941,-3.8315;6.2777,-.8023,-1.3637;1.422,-1.52,-2.2273;6.2314,-6.8501,-3.2679;.8381,-2.0923,-2.8181;5.1973,-1.3084,-4.1992;4.5696,-8.1423,-1.245;3.4785,-10.0025,-2.9687;4.5491,-.6704,-4.5763;2.9898,-4.436,-6.2843;6.6862,-2.7386,-3.3295;4.5534,-2.6914,-.0773;2.2722,-4.0078,-6.7919;3.74,-5.9052,-.0022;3.3237,.4315,-2.1595;5.254,-6.5187,-1.5819;5.9578,-2.5324,-1.4635;2.9142,-.7816,-3.3716;.787,-3.4493,-5.3733;1.9917,-7.1574,-3.953;1.9915,-3.1866,-1.4864;3.0904,-6.7091,-.0182;3.2278,-5.1569,-.4516;3.777,-3.1438,-.5117;1.2875,-5.3765,-1.7075;5.786,-6.2771,-3.9383;-.0649,-5.8112,-5.3787;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">67</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">67</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55292718</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00865560</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00133817</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00865560</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00133817</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07371799</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00976043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.454995"
                                 y3="-2.77798"
                                 z3="-4.411168"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.109904"
                                 y3="-2.950482"
                                 z3="-3.873168"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.333304"
                                 y3="-4.973702"
                                 z3="-5.874219"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.213766"
                                 y3="-2.265051"
                                 z3="-6.543277"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.915906"
                                 y3="-5.083606"
                                 z3="-4.235889"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.989806"
                                 y3="-7.652862"
                                 z3="-5.339521"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.735634"
                                 y3="-6.235146"
                                 z3="-1.803098"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.304444"
                                 y3="-7.194186"
                                 z3="-4.607601"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.056393"
                                 y3="-8.59558"
                                 z3="-2.832241"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.474631"
                                 y3="-6.171678"
                                 z3="-2.841737"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.771178"
                                 y3="-4.463616"
                                 z3="-4.650601"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.364453"
                                 y3="-4.097341"
                                 z3="-1.436642"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.644432"
                                 y3="-10.567681"
                                 z3="-2.183085"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.070441"
                                 y3="-10.440529"
                                 z3="-0.760351"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.96475"
                                 y3="0.048025"
                                 z3="-4.612143"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.068315"
                                 y3="-4.576837"
                                 z3="-1.99353"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.289493"
                                 y3="-3.263471"
                                 z3="-0.569239"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.508113"
                                 y3="-4.225255"
                                 z3="-3.406262"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.601924"
                                 y3="-6.418401"
                                 z3="-0.448451"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.60505"
                                 y3="-9.546187"
                                 z3="-0.74496"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.085498"
                                 y3="-7.901915"
                                 z3="-0.08928"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.195537"
                                 y3="-6.866287"
                                 z3="-1.178281"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.090679"
                                 y3="-2.434422"
                                 z3="-2.698981"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.512653"
                                 y3="-10.274571"
                                 z3="0.597025"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.136492"
                                 y3="-3.405622"
                                 z3="-3.829885"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.287686"
                                 y3="-0.803585"
                                 z3="-1.367731"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.429816"
                                 y3="-1.510937"
                                 z3="-2.228342"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.228482"
                                 y3="-6.82647"
                                 z3="-3.264485"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.840251"
                                 y3="-2.080661"
                                 z3="-2.816039"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.203183"
                                 y3="-1.322141"
                                 z3="-4.213519"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.568369"
                                 y3="-8.141976"
                                 z3="-1.251699"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.489484"
                                 y3="-10.005854"
                                 z3="-2.972828"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.557397"
                                 y3="-0.680365"
                                 z3="-4.587976"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.986689"
                                 y3="-4.424263"
                                 z3="-6.281158"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.686596"
                                 y3="-2.751101"
                                 z3="-3.330535"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.553035"
                                 y3="-2.682289"
                                 z3="-0.082177"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.266646"
                                 y3="-3.998358"
                                 z3="-6.787552"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.733029"
                                 y3="-5.909036"
                                 z3="0.000772"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.342563"
                                 y3="0.432992"
                                 z3="-2.173329"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.254021"
                                 y3="-6.51303"
                                 z3="-1.574553"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.958718"
                                 y3="-2.531432"
                                 z3="-1.467686"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.92249"
                                 y3="-0.782206"
                                 z3="-3.379392"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.778189"
                                 y3="-3.453341"
                                 z3="-5.367253"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.998033"
                                 y3="-7.160689"
                                 z3="-3.956129"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.990711"
                                 y3="-3.180902"
                                 z3="-1.490067"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.08535"
                                 y3="-6.714609"
                                 z3="-0.015095"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.21988"
                                 y3="-5.160496"
                                 z3="-0.449205"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.777216"
                                 y3="-3.136257"
                                 z3="-0.514384"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.270064"
                                 y3="-5.382458"
                                 z3="-1.705318"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.822571"
                                 y3="-6.203389"
                                 z3="-3.915791"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.07012"
                                 y3="-5.817373"
                                 z3="-5.365352"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.455,-2.778,-4.4112;-.1099,-2.9505,-3.8732;-.3333,-4.9737,-5.8742;.2138,-2.2651,-6.5433;1.9159,-5.0836,-4.2359;2.9898,-7.6529,-5.3395;.7356,-6.2351,-1.8031;.3044,-7.1942,-4.6076;2.0564,-8.5956,-2.8322;3.4746,-6.1717,-2.8417;4.7712,-4.4636,-4.6506;2.3645,-4.0973,-1.4366;3.6444,-10.5677,-2.1831;1.0704,-10.4405,-.7604;1.9647,.048,-4.6121;5.0683,-4.5768,-1.9935;7.2895,-3.2635,-.5692;3.5081,-4.2253,-3.4063;6.6019,-6.4184,-.4485;2.605,-9.5462,-.745;2.0855,-7.9019,-.0893;1.1955,-6.8663,-1.1783;4.0907,-2.4344,-2.699;3.5127,-10.2746,.597;6.1365,-3.4056,-3.8299;6.2877,-.8036,-1.3677;1.4298,-1.5109,-2.2283;6.2285,-6.8265,-3.2645;.8403,-2.0807,-2.816;5.2032,-1.3221,-4.2135;4.5684,-8.142,-1.2517;3.4895,-10.0059,-2.9728;4.5574,-.6804,-4.588;2.9867,-4.4243,-6.2812;6.6866,-2.7511,-3.3305;4.553,-2.6823,-.0822;2.2666,-3.9984,-6.7876;3.733,-5.909,.0008;3.3426,.433,-2.1733;5.254,-6.513,-1.5746;5.9587,-2.5314,-1.4677;2.9225,-.7822,-3.3794;.7782,-3.4533,-5.3673;1.998,-7.1607,-3.9561;1.9907,-3.1809,-1.4901;3.0854,-6.7146,-.0151;3.2199,-5.1605,-.4492;3.7772,-3.1363,-.5144;1.2701,-5.3825,-1.7053;5.8226,-6.2034,-3.9158;-.0701,-5.8174,-5.3654;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">68</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">68</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55289091</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00486450</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00097771</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00486450</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00097771</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02088924</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00279341</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.454662"
                                 y3="-2.779471"
                                 z3="-4.41022"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.109553"
                                 y3="-2.950203"
                                 z3="-3.870765"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.334808"
                                 y3="-4.974732"
                                 z3="-5.871648"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.210892"
                                 y3="-2.266284"
                                 z3="-6.541787"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.91501"
                                 y3="-5.084367"
                                 z3="-4.235928"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.990396"
                                 y3="-7.652451"
                                 z3="-5.340679"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.732137"
                                 y3="-6.236229"
                                 z3="-1.801738"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.304859"
                                 y3="-7.195052"
                                 z3="-4.60794"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.056956"
                                 y3="-8.596885"
                                 z3="-2.834025"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.47121"
                                 y3="-6.171797"
                                 z3="-2.839845"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.771805"
                                 y3="-4.466561"
                                 z3="-4.647455"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.364043"
                                 y3="-4.09673"
                                 z3="-1.436812"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.645882"
                                 y3="-10.568843"
                                 z3="-2.185201"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.070948"
                                 y3="-10.441177"
                                 z3="-0.764041"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.966381"
                                 y3="0.047176"
                                 z3="-4.613994"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.066349"
                                 y3="-4.577904"
                                 z3="-1.991276"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.290295"
                                 y3="-3.264615"
                                 z3="-0.571936"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.506291"
                                 y3="-4.226088"
                                 z3="-3.405305"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.598436"
                                 y3="-6.419794"
                                 z3="-0.441723"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.605927"
                                 y3="-9.547525"
                                 z3="-0.747108"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.085231"
                                 y3="-7.903897"
                                 z3="-0.090194"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.193701"
                                 y3="-6.867376"
                                 z3="-1.1781"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.091302"
                                 y3="-2.434849"
                                 z3="-2.699965"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.512923"
                                 y3="-10.276603"
                                 z3="0.594912"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.13444"
                                 y3="-3.408422"
                                 z3="-3.831428"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.290445"
                                 y3="-0.804049"
                                 z3="-1.370835"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.431981"
                                 y3="-1.509523"
                                 z3="-2.228072"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.228299"
                                 y3="-6.819483"
                                 z3="-3.26176"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.841463"
                                 y3="-2.079212"
                                 z3="-2.81488"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.204282"
                                 y3="-1.32523"
                                 z3="-4.216965"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.567953"
                                 y3="-8.142262"
                                 z3="-1.253129"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.490661"
                                 y3="-10.007058"
                                 z3="-2.974938"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.558721"
                                 y3="-0.68293"
                                 z3="-4.590841"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.986566"
                                 y3="-4.420255"
                                 z3="-6.280808"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.686401"
                                 y3="-2.754715"
                                 z3="-3.332779"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.554778"
                                 y3="-2.679743"
                                 z3="-0.083456"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.265203"
                                 y3="-3.995926"
                                 z3="-6.786691"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.730058"
                                 y3="-5.909535"
                                 z3="0.001616"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.346518"
                                 y3="0.433407"
                                 z3="-2.176657"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.253372"
                                 y3="-6.511671"
                                 z3="-1.571275"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.959789"
                                 y3="-2.531516"
                                 z3="-1.47007"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.924171"
                                 y3="-0.782631"
                                 z3="-3.380989"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.776241"
                                 y3="-3.454243"
                                 z3="-5.365888"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.99888"
                                 y3="-7.161479"
                                 z3="-3.95678"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.991706"
                                 y3="-3.17961"
                                 z3="-1.48994"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.082774"
                                 y3="-6.715519"
                                 z3="-0.014839"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.217227"
                                 y3="-5.1609"
                                 z3="-0.449083"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.779335"
                                 y3="-3.134882"
                                 z3="-0.514526"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.266168"
                                 y3="-5.383676"
                                 z3="-1.705129"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.834053"
                                 y3="-6.182499"
                                 z3="-3.907126"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.071036"
                                 y3="-5.81879"
                                 z3="-5.363367"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4547,-2.7795,-4.4102;-.1096,-2.9502,-3.8708;-.3348,-4.9747,-5.8716;.2109,-2.2663,-6.5418;1.915,-5.0844,-4.2359;2.9904,-7.6525,-5.3407;.7321,-6.2362,-1.8017;.3049,-7.1951,-4.6079;2.057,-8.5969,-2.834;3.4712,-6.1718,-2.8398;4.7718,-4.4666,-4.6475;2.364,-4.0967,-1.4368;3.6459,-10.5688,-2.1852;1.0709,-10.4412,-.764;1.9664,.0472,-4.614;5.0663,-4.5779,-1.9913;7.2903,-3.2646,-.5719;3.5063,-4.2261,-3.4053;6.5984,-6.4198,-.4417;2.6059,-9.5475,-.7471;2.0852,-7.9039,-.0902;1.1937,-6.8674,-1.1781;4.0913,-2.4348,-2.7;3.5129,-10.2766,.5949;6.1344,-3.4084,-3.8314;6.2904,-.804,-1.3708;1.432,-1.5095,-2.2281;6.2283,-6.8195,-3.2618;.8415,-2.0792,-2.8149;5.2043,-1.3252,-4.217;4.568,-8.1423,-1.2531;3.4907,-10.0071,-2.9749;4.5587,-.6829,-4.5908;2.9866,-4.4203,-6.2808;6.6864,-2.7547,-3.3328;4.5548,-2.6797,-.0835;2.2652,-3.9959,-6.7867;3.7301,-5.9095,.0016;3.3465,.4334,-2.1767;5.2534,-6.5117,-1.5713;5.9598,-2.5315,-1.4701;2.9242,-.7826,-3.381;.7762,-3.4542,-5.3659;1.9989,-7.1615,-3.9568;1.9917,-3.1796,-1.4899;3.0828,-6.7155,-.0148;3.2172,-5.1609,-.4491;3.7793,-3.1349,-.5145;1.2662,-5.3837,-1.7051;5.8341,-6.1825,-3.9071;-.071,-5.8188,-5.3634;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">69</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">69</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55289886</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00406484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00092709</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00406484</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00092709</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03142180</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00459718</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.453631"
                                 y3="-2.782176"
                                 z3="-4.410979"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.110151"
                                 y3="-2.952035"
                                 z3="-3.870304"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.334658"
                                 y3="-4.974726"
                                 z3="-5.8719"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.213701"
                                 y3="-2.263468"
                                 z3="-6.540412"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.914143"
                                 y3="-5.086434"
                                 z3="-4.235422"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.985282"
                                 y3="-7.652656"
                                 z3="-5.33861"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.728702"
                                 y3="-6.234395"
                                 z3="-1.799085"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.299996"
                                 y3="-7.195787"
                                 z3="-4.604299"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.052855"
                                 y3="-8.59698"
                                 z3="-2.831965"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.466089"
                                 y3="-6.173009"
                                 z3="-2.834131"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.771378"
                                 y3="-4.472122"
                                 z3="-4.642984"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.362637"
                                 y3="-4.098249"
                                 z3="-1.437183"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.646984"
                                 y3="-10.568826"
                                 z3="-2.194148"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.076516"
                                 y3="-10.445229"
                                 z3="-0.765145"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.969018"
                                 y3="0.045855"
                                 z3="-4.617616"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.063476"
                                 y3="-4.578036"
                                 z3="-1.9869"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.291569"
                                 y3="-3.265825"
                                 z3="-0.576862"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.503554"
                                 y3="-4.228309"
                                 z3="-3.403985"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.589093"
                                 y3="-6.420205"
                                 z3="-0.426313"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.610298"
                                 y3="-9.549383"
                                 z3="-0.750962"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.08688"
                                 y3="-7.908324"
                                 z3="-0.088771"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.191477"
                                 y3="-6.865925"
                                 z3="-1.176824"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.09142"
                                 y3="-2.436682"
                                 z3="-2.7023"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.523093"
                                 y3="-10.279241"
                                 z3="0.58677"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.132928"
                                 y3="-3.41349"
                                 z3="-3.833435"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.288974"
                                 y3="-0.805274"
                                 z3="-1.3751"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.434484"
                                 y3="-1.509713"
                                 z3="-2.228791"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.228755"
                                 y3="-6.805788"
                                 z3="-3.258099"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.844447"
                                 y3="-2.081751"
                                 z3="-2.813832"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.208397"
                                 y3="-1.327172"
                                 z3="-4.218752"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.570366"
                                 y3="-8.143623"
                                 z3="-1.25497"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.483103"
                                 y3="-10.00922"
                                 z3="-2.983724"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.5622"
                                 y3="-0.685483"
                                 z3="-4.592737"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.987991"
                                 y3="-4.419566"
                                 z3="-6.283217"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.686997"
                                 y3="-2.758976"
                                 z3="-3.337931"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.556263"
                                 y3="-2.674804"
                                 z3="-0.084396"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.265249"
                                 y3="-3.995892"
                                 z3="-6.787699"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.725978"
                                 y3="-5.910256"
                                 z3="0.002358"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.348764"
                                 y3="0.434588"
                                 z3="-2.181827"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.25306"
                                 y3="-6.509401"
                                 z3="-1.566143"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.959869"
                                 y3="-2.532832"
                                 z3="-1.473709"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.9257"
                                 y3="-0.783181"
                                 z3="-3.383672"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.776242"
                                 y3="-3.45388"
                                 z3="-5.366073"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.994484"
                                 y3="-7.161777"
                                 z3="-3.954123"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.995973"
                                 y3="-3.178626"
                                 z3="-1.488114"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.078857"
                                 y3="-6.71654"
                                 z3="-0.015013"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.213941"
                                 y3="-5.161813"
                                 z3="-0.450781"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.783867"
                                 y3="-3.136634"
                                 z3="-0.512265"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.262268"
                                 y3="-5.381971"
                                 z3="-1.703378"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.84887"
                                 y3="-6.151078"
                                 z3="-3.894353"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.073288"
                                 y3="-5.818291"
                                 z3="-5.363301"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4536,-2.7822,-4.411;-.1102,-2.952,-3.8703;-.3347,-4.9747,-5.8719;.2137,-2.2635,-6.5404;1.9141,-5.0864,-4.2354;2.9853,-7.6527,-5.3386;.7287,-6.2344,-1.7991;.3,-7.1958,-4.6043;2.0529,-8.597,-2.832;3.4661,-6.173,-2.8341;4.7714,-4.4721,-4.643;2.3626,-4.0982,-1.4372;3.647,-10.5688,-2.1941;1.0765,-10.4452,-.7651;1.969,.0459,-4.6176;5.0635,-4.578,-1.9869;7.2916,-3.2658,-.5769;3.5036,-4.2283,-3.404;6.5891,-6.4202,-.4263;2.6103,-9.5494,-.751;2.0869,-7.9083,-.0888;1.1915,-6.8659,-1.1768;4.0914,-2.4367,-2.7023;3.5231,-10.2792,.5868;6.1329,-3.4135,-3.8334;6.289,-.8053,-1.3751;1.4345,-1.5097,-2.2288;6.2288,-6.8058,-3.2581;.8444,-2.0818,-2.8138;5.2084,-1.3272,-4.2188;4.5704,-8.1436,-1.255;3.4831,-10.0092,-2.9837;4.5622,-.6855,-4.5927;2.988,-4.4196,-6.2832;6.687,-2.759,-3.3379;4.5563,-2.6748,-.0844;2.2652,-3.9959,-6.7877;3.726,-5.9103,.0024;3.3488,.4346,-2.1818;5.2531,-6.5094,-1.5661;5.9599,-2.5328,-1.4737;2.9257,-.7832,-3.3837;.7762,-3.4539,-5.3661;1.9945,-7.1618,-3.9541;1.996,-3.1786,-1.4881;3.0789,-6.7165,-.015;3.2139,-5.1618,-.4508;3.7839,-3.1366,-.5123;1.2623,-5.382,-1.7034;5.8489,-6.1511,-3.8944;-.0733,-5.8183,-5.3633;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">70</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">70</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55301253</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00373076</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077509</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00373076</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077509</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02060371</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00685590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.453204"
                                 y3="-2.783651"
                                 z3="-4.414399"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.112487"
                                 y3="-2.965983"
                                 z3="-3.875321"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.324056"
                                 y3="-4.97192"
                                 z3="-5.889112"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.22885"
                                 y3="-2.250812"
                                 z3="-6.538212"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.918266"
                                 y3="-5.090183"
                                 z3="-4.235016"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.976218"
                                 y3="-7.655221"
                                 z3="-5.32894"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.73202"
                                 y3="-6.227372"
                                 z3="-1.803142"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.291384"
                                 y3="-7.194402"
                                 z3="-4.600815"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.041176"
                                 y3="-8.592093"
                                 z3="-2.82108"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.469118"
                                 y3="-6.174339"
                                 z3="-2.828232"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.771667"
                                 y3="-4.469838"
                                 z3="-4.643695"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.359586"
                                 y3="-4.107924"
                                 z3="-1.43723"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.639797"
                                 y3="-10.565271"
                                 z3="-2.202986"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.082389"
                                 y3="-10.44926"
                                 z3="-0.751508"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.964284"
                                 y3="0.044854"
                                 z3="-4.612691"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.068219"
                                 y3="-4.574496"
                                 z3="-1.986553"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.302078"
                                 y3="-3.26241"
                                 z3="-0.590528"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.505387"
                                 y3="-4.230803"
                                 z3="-3.403776"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.578272"
                                 y3="-6.416866"
                                 z3="-0.411015"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.612063"
                                 y3="-9.545856"
                                 z3="-0.750508"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.086261"
                                 y3="-7.907416"
                                 z3="-0.08368"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.189822"
                                 y3="-6.860718"
                                 z3="-1.179594"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.087634"
                                 y3="-2.439756"
                                 z3="-2.700839"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.539247"
                                 y3="-10.272685"
                                 z3="0.57918"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.128843"
                                 y3="-3.407298"
                                 z3="-3.842781"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.2813"
                                 y3="-0.806521"
                                 z3="-1.379365"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.43057"
                                 y3="-1.520453"
                                 z3="-2.227294"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.233345"
                                 y3="-6.806237"
                                 z3="-3.25519"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.845205"
                                 y3="-2.09736"
                                 z3="-2.811859"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.210728"
                                 y3="-1.318169"
                                 z3="-4.208174"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.573755"
                                 y3="-8.144434"
                                 z3="-1.251978"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.462499"
                                 y3="-10.00916"
                                 z3="-2.992108"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.561623"
                                 y3="-0.67829"
                                 z3="-4.580686"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.99297"
                                 y3="-4.431534"
                                 z3="-6.288738"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.684178"
                                 y3="-2.751852"
                                 z3="-3.350388"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.564262"
                                 y3="-2.674771"
                                 z3="-0.081118"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.2726"
                                 y3="-4.002503"
                                 z3="-6.79193"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.724878"
                                 y3="-5.907209"
                                 z3="-0.000278"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.333978"
                                 y3="0.433467"
                                 z3="-2.173637"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.254543"
                                 y3="-6.509056"
                                 z3="-1.56448"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.961633"
                                 y3="-2.535618"
                                 z3="-1.479017"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.920212"
                                 y3="-0.783617"
                                 z3="-3.378729"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.784436"
                                 y3="-3.450236"
                                 z3="-5.370525"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.983208"
                                 y3="-7.160036"
                                 z3="-3.947167"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="2.002446"
                                 y3="-3.184541"
                                 z3="-1.483673"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.076001"
                                 y3="-6.711692"
                                 z3="-0.017711"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.214058"
                                 y3="-5.15904"
                                 z3="-0.457416"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.794547"
                                 y3="-3.142296"
                                 z3="-0.504488"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.268542"
                                 y3="-5.375478"
                                 z3="-1.701854"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.842257"
                                 y3="-6.162994"
                                 z3="-3.895835"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.071296"
                                 y3="-5.813263"
                                 z3="-5.377298"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4532,-2.7837,-4.4144;-.1125,-2.966,-3.8753;-.3241,-4.9719,-5.8891;.2288,-2.2508,-6.5382;1.9183,-5.0902,-4.235;2.9762,-7.6552,-5.3289;.732,-6.2274,-1.8031;.2914,-7.1944,-4.6008;2.0412,-8.5921,-2.8211;3.4691,-6.1743,-2.8282;4.7717,-4.4698,-4.6437;2.3596,-4.1079,-1.4372;3.6398,-10.5653,-2.203;1.0824,-10.4493,-.7515;1.9643,.0449,-4.6127;5.0682,-4.5745,-1.9866;7.3021,-3.2624,-.5905;3.5054,-4.2308,-3.4038;6.5783,-6.4169,-.411;2.6121,-9.5459,-.7505;2.0863,-7.9074,-.0837;1.1898,-6.8607,-1.1796;4.0876,-2.4398,-2.7008;3.5392,-10.2727,.5792;6.1288,-3.4073,-3.8428;6.2813,-.8065,-1.3794;1.4306,-1.5205,-2.2273;6.2333,-6.8062,-3.2552;.8452,-2.0974,-2.8119;5.2107,-1.3182,-4.2082;4.5738,-8.1444,-1.252;3.4625,-10.0092,-2.9921;4.5616,-.6783,-4.5807;2.993,-4.4315,-6.2887;6.6842,-2.7519,-3.3504;4.5643,-2.6748,-.0811;2.2726,-4.0025,-6.7919;3.7249,-5.9072,-.0003;3.334,.4335,-2.1736;5.2545,-6.5091,-1.5645;5.9616,-2.5356,-1.479;2.9202,-.7836,-3.3787;.7844,-3.4502,-5.3705;1.9832,-7.16,-3.9472;2.0024,-3.1845,-1.4837;3.076,-6.7117,-.0177;3.2141,-5.159,-.4574;3.7945,-3.1423,-.5045;1.2685,-5.3755,-1.7019;5.8423,-6.163,-3.8958;-.0713,-5.8133,-5.3773;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">71</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">71</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55312613</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00392954</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00076071</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00392954</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00076071</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01971465</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00324012</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.453641"
                                 y3="-2.784873"
                                 z3="-4.415703"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.11296"
                                 y3="-2.965622"
                                 z3="-3.877947"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.323183"
                                 y3="-4.970769"
                                 z3="-5.891726"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.233086"
                                 y3="-2.249208"
                                 z3="-6.540283"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.916784"
                                 y3="-5.090662"
                                 z3="-4.233563"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.971832"
                                 y3="-7.653812"
                                 z3="-5.326989"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.731217"
                                 y3="-6.226572"
                                 z3="-1.800323"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.287546"
                                 y3="-7.19336"
                                 z3="-4.597067"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.037466"
                                 y3="-8.592041"
                                 z3="-2.818851"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.465442"
                                 y3="-6.174241"
                                 z3="-2.823402"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.771813"
                                 y3="-4.474334"
                                 z3="-4.640571"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.357701"
                                 y3="-4.108964"
                                 z3="-1.436974"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.639504"
                                 y3="-10.564798"
                                 z3="-2.210326"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.0868"
                                 y3="-10.453474"
                                 z3="-0.750366"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.96614"
                                 y3="0.044628"
                                 z3="-4.614775"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.066915"
                                 y3="-4.573986"
                                 z3="-1.984215"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.304889"
                                 y3="-3.26324"
                                 z3="-0.595625"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.503766"
                                 y3="-4.231861"
                                 z3="-3.402345"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.571105"
                                 y3="-6.416242"
                                 z3="-0.401058"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.614758"
                                 y3="-9.547151"
                                 z3="-0.753663"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.088022"
                                 y3="-7.910229"
                                 z3="-0.083206"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.189592"
                                 y3="-6.860657"
                                 z3="-1.178147"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.086784"
                                 y3="-2.440683"
                                 z3="-2.701219"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.547306"
                                 y3="-10.274458"
                                 z3="0.572046"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.125613"
                                 y3="-3.40839"
                                 z3="-3.845816"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.281715"
                                 y3="-0.807917"
                                 z3="-1.383057"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.431182"
                                 y3="-1.519745"
                                 z3="-2.22882"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.23332"
                                 y3="-6.799012"
                                 z3="-3.252523"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.846148"
                                 y3="-2.097076"
                                 z3="-2.813174"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.211743"
                                 y3="-1.320254"
                                 z3="-4.208288"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.574972"
                                 y3="-8.145375"
                                 z3="-1.254045"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.458227"
                                 y3="-10.00911"
                                 z3="-2.998727"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.56345"
                                 y3="-0.679057"
                                 z3="-4.579966"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.992384"
                                 y3="-4.438055"
                                 z3="-6.287916"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.682171"
                                 y3="-2.752845"
                                 z3="-3.354643"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.567303"
                                 y3="-2.673667"
                                 z3="-0.080476"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.274122"
                                 y3="-4.006742"
                                 z3="-6.792098"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.722309"
                                 y3="-5.908226"
                                 z3="0.000733"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.333635"
                                 y3="0.434584"
                                 z3="-2.175104"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.253313"
                                 y3="-6.508198"
                                 z3="-1.561529"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.962466"
                                 y3="-2.537123"
                                 z3="-1.481486"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.920953"
                                 y3="-0.783226"
                                 z3="-3.379648"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.785798"
                                 y3="-3.449372"
                                 z3="-5.372138"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.979624"
                                 y3="-7.159237"
                                 z3="-3.944435"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="2.002999"
                                 y3="-3.184726"
                                 z3="-1.482203"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.073122"
                                 y3="-6.712931"
                                 z3="-0.018302"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.212418"
                                 y3="-5.159735"
                                 z3="-0.456849"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.797567"
                                 y3="-3.142813"
                                 z3="-0.50162"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.268703"
                                 y3="-5.375064"
                                 z3="-1.699257"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.852481"
                                 y3="-6.143279"
                                 z3="-3.887262"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.071984"
                                 y3="-5.811411"
                                 z3="-5.378456"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4536,-2.7849,-4.4157;-.113,-2.9656,-3.8779;-.3232,-4.9708,-5.8917;.2331,-2.2492,-6.5403;1.9168,-5.0907,-4.2336;2.9718,-7.6538,-5.327;.7312,-6.2266,-1.8003;.2875,-7.1934,-4.5971;2.0375,-8.592,-2.8189;3.4654,-6.1742,-2.8234;4.7718,-4.4743,-4.6406;2.3577,-4.109,-1.437;3.6395,-10.5648,-2.2103;1.0868,-10.4535,-.7504;1.9661,.0446,-4.6148;5.0669,-4.574,-1.9842;7.3049,-3.2632,-.5956;3.5038,-4.2319,-3.4023;6.5711,-6.4162,-.4011;2.6148,-9.5472,-.7537;2.088,-7.9102,-.0832;1.1896,-6.8607,-1.1781;4.0868,-2.4407,-2.7012;3.5473,-10.2745,.572;6.1256,-3.4084,-3.8458;6.2817,-.8079,-1.3831;1.4312,-1.5197,-2.2288;6.2333,-6.799,-3.2525;.8461,-2.0971,-2.8132;5.2117,-1.3203,-4.2083;4.575,-8.1454,-1.254;3.4582,-10.0091,-2.9987;4.5634,-.6791,-4.58;2.9924,-4.4381,-6.2879;6.6822,-2.7528,-3.3546;4.5673,-2.6737,-.0805;2.2741,-4.0067,-6.7921;3.7223,-5.9082,.0007;3.3336,.4346,-2.1751;5.2533,-6.5082,-1.5615;5.9625,-2.5371,-1.4815;2.921,-.7832,-3.3796;.7858,-3.4494,-5.3721;1.9796,-7.1592,-3.9444;2.003,-3.1847,-1.4822;3.0731,-6.7129,-.0183;3.2124,-5.1597,-.4568;3.7976,-3.1428,-.5016;1.2687,-5.3751,-1.6993;5.8525,-6.1433,-3.8873;-.072,-5.8114,-5.3785;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">72</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">72</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55315652</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00410329</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077425</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00410329</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077425</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01210263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00304892</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.454997"
                                 y3="-2.785805"
                                 z3="-4.416786"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.114714"
                                 y3="-2.965365"
                                 z3="-3.883857"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.319523"
                                 y3="-4.969391"
                                 z3="-5.897717"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.241317"
                                 y3="-2.248068"
                                 z3="-6.545395"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.915266"
                                 y3="-5.090643"
                                 z3="-4.231263"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.966438"
                                 y3="-7.653703"
                                 z3="-5.323147"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.729953"
                                 y3="-6.225666"
                                 z3="-1.797259"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.283505"
                                 y3="-7.190276"
                                 z3="-4.593129"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.031292"
                                 y3="-8.591115"
                                 z3="-2.814211"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.462485"
                                 y3="-6.173752"
                                 z3="-2.819595"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.770906"
                                 y3="-4.477308"
                                 z3="-4.638481"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.355901"
                                 y3="-4.110804"
                                 z3="-1.437715"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.6367"
                                 y3="-10.563879"
                                 z3="-2.217223"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.090689"
                                 y3="-10.456305"
                                 z3="-0.744383"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.967671"
                                 y3="0.044312"
                                 z3="-4.616406"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.066934"
                                 y3="-4.573566"
                                 z3="-1.982991"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.307082"
                                 y3="-3.264496"
                                 z3="-0.599675"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.502679"
                                 y3="-4.232409"
                                 z3="-3.399999"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.569717"
                                 y3="-6.41645"
                                 z3="-0.398942"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.616884"
                                 y3="-9.54704"
                                 z3="-0.755413"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.090802"
                                 y3="-7.911304"
                                 z3="-0.081062"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.188461"
                                 y3="-6.860979"
                                 z3="-1.176575"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.084619"
                                 y3="-2.440989"
                                 z3="-2.699829"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.556757"
                                 y3="-10.274264"
                                 z3="0.565259"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.12271"
                                 y3="-3.4075"
                                 z3="-3.847939"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.281463"
                                 y3="-0.809437"
                                 z3="-1.383562"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.429459"
                                 y3="-1.519985"
                                 z3="-2.23117"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.232304"
                                 y3="-6.794591"
                                 z3="-3.254148"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.844833"
                                 y3="-2.096568"
                                 z3="-2.816279"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.212246"
                                 y3="-1.322054"
                                 z3="-4.206021"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.577132"
                                 y3="-8.145776"
                                 z3="-1.256739"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.451834"
                                 y3="-10.00813"
                                 z3="-3.004649"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.565437"
                                 y3="-0.678091"
                                 z3="-4.575742"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.993476"
                                 y3="-4.448036"
                                 z3="-6.285066"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.678727"
                                 y3="-2.750555"
                                 z3="-3.357736"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.569393"
                                 y3="-2.674464"
                                 z3="-0.078592"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.279073"
                                 y3="-4.013641"
                                 z3="-6.792073"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.723305"
                                 y3="-5.909227"
                                 z3="0.000756"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.330068"
                                 y3="0.435482"
                                 z3="-2.173859"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.253789"
                                 y3="-6.50761"
                                 z3="-1.561937"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.962582"
                                 y3="-2.538609"
                                 z3="-1.482426"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.920724"
                                 y3="-0.782491"
                                 z3="-3.379293"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.789213"
                                 y3="-3.448161"
                                 z3="-5.374915"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.975367"
                                 y3="-7.157766"
                                 z3="-3.940345"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="2.001762"
                                 y3="-3.186384"
                                 z3="-1.481609"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.073108"
                                 y3="-6.713604"
                                 z3="-0.018391"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.213516"
                                 y3="-5.16058"
                                 z3="-0.456436"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.798828"
                                 y3="-3.143195"
                                 z3="-0.498185"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.268881"
                                 y3="-5.374704"
                                 z3="-1.695628"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.857401"
                                 y3="-6.131177"
                                 z3="-3.885017"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.071727"
                                 y3="-5.808491"
                                 z3="-5.380613"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.455,-2.7858,-4.4168;-.1147,-2.9654,-3.8839;-.3195,-4.9694,-5.8977;.2413,-2.2481,-6.5454;1.9153,-5.0906,-4.2313;2.9664,-7.6537,-5.3231;.73,-6.2257,-1.7973;.2835,-7.1903,-4.5931;2.0313,-8.5911,-2.8142;3.4625,-6.1738,-2.8196;4.7709,-4.4773,-4.6385;2.3559,-4.1108,-1.4377;3.6367,-10.5639,-2.2172;1.0907,-10.4563,-.7444;1.9677,.0443,-4.6164;5.0669,-4.5736,-1.983;7.3071,-3.2645,-.5997;3.5027,-4.2324,-3.4;6.5697,-6.4165,-.3989;2.6169,-9.547,-.7554;2.0908,-7.9113,-.0811;1.1885,-6.861,-1.1766;4.0846,-2.441,-2.6998;3.5568,-10.2743,.5653;6.1227,-3.4075,-3.8479;6.2815,-.8094,-1.3836;1.4295,-1.52,-2.2312;6.2323,-6.7946,-3.2541;.8448,-2.0966,-2.8163;5.2122,-1.3221,-4.206;4.5771,-8.1458,-1.2567;3.4518,-10.0081,-3.0046;4.5654,-.6781,-4.5757;2.9935,-4.448,-6.2851;6.6787,-2.7506,-3.3577;4.5694,-2.6745,-.0786;2.2791,-4.0136,-6.7921;3.7233,-5.9092,.0008;3.3301,.4355,-2.1739;5.2538,-6.5076,-1.5619;5.9626,-2.5386,-1.4824;2.9207,-.7825,-3.3793;.7892,-3.4482,-5.3749;1.9754,-7.1578,-3.9403;2.0018,-3.1864,-1.4816;3.0731,-6.7136,-.0184;3.2135,-5.1606,-.4564;3.7988,-3.1432,-.4982;1.2689,-5.3747,-1.6956;5.8574,-6.1312,-3.885;-.0717,-5.8085,-5.3806;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">73</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">73</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55321412</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00338422</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00072315</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00338422</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00072315</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02819506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00761485</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.459731"
                                 y3="-2.785706"
                                 z3="-4.42084"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.118162"
                                 y3="-2.957217"
                                 z3="-3.903886"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.311655"
                                 y3="-4.965423"
                                 z3="-5.910294"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.265963"
                                 y3="-2.24962"
                                 z3="-6.565771"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.909807"
                                 y3="-5.087812"
                                 z3="-4.223762"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.954238"
                                 y3="-7.652437"
                                 z3="-5.314019"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.730025"
                                 y3="-6.225032"
                                 z3="-1.787662"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.274442"
                                 y3="-7.181704"
                                 z3="-4.581499"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.018311"
                                 y3="-8.588839"
                                 z3="-2.80274"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.457306"
                                 y3="-6.171935"
                                 z3="-2.81387"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.765748"
                                 y3="-4.482915"
                                 z3="-4.636854"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.353123"
                                 y3="-4.112535"
                                 z3="-1.438287"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.629197"
                                 y3="-10.561764"
                                 z3="-2.229647"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.098543"
                                 y3="-10.461438"
                                 z3="-0.727626"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.970915"
                                 y3="0.045718"
                                 z3="-4.619399"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.067252"
                                 y3="-4.572448"
                                 z3="-1.982899"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.306909"
                                 y3="-3.266698"
                                 z3="-0.601551"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.500675"
                                 y3="-4.231656"
                                 z3="-3.394757"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.577428"
                                 y3="-6.417696"
                                 z3="-0.411747"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.6212"
                                 y3="-9.546585"
                                 z3="-0.756892"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.09947"
                                 y3="-7.912282"
                                 z3="-0.075445"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.189373"
                                 y3="-6.861965"
                                 z3="-1.1695"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.078068"
                                 y3="-2.439923"
                                 z3="-2.694949"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.577029"
                                 y3="-10.273666"
                                 z3="0.55254"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.11959"
                                 y3="-3.405594"
                                 z3="-3.846911"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.277938"
                                 y3="-0.811203"
                                 z3="-1.379016"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.422657"
                                 y3="-1.518484"
                                 z3="-2.238724"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.22587"
                                 y3="-6.790801"
                                 z3="-3.266537"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.839556"
                                 y3="-2.092488"
                                 z3="-2.827223"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.21416"
                                 y3="-1.321629"
                                 z3="-4.195075"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.582965"
                                 y3="-8.146757"
                                 z3="-1.26372"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.437334"
                                 y3="-10.005454"
                                 z3="-3.014852"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.570095"
                                 y3="-0.673902"
                                 z3="-4.563769"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.997535"
                                 y3="-4.476231"
                                 z3="-6.276224"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.67025"
                                 y3="-2.74289"
                                 z3="-3.358155"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.568451"
                                 y3="-2.679079"
                                 z3="-0.073708"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.293614"
                                 y3="-4.034761"
                                 z3="-6.791831"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.731481"
                                 y3="-5.913516"
                                 z3="0.00052"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.320216"
                                 y3="0.43808"
                                 z3="-2.169195"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.25606"
                                 y3="-6.508158"
                                 z3="-1.569324"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.959873"
                                 y3="-2.540349"
                                 z3="-1.479616"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.919607"
                                 y3="-0.779593"
                                 z3="-3.3779"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.799553"
                                 y3="-3.445505"
                                 z3="-5.384265"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.966555"
                                 y3="-7.153706"
                                 z3="-3.930068"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.994823"
                                 y3="-3.190086"
                                 z3="-1.480233"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.078324"
                                 y3="-6.71659"
                                 z3="-0.017364"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.220527"
                                 y3="-5.1646"
                                 z3="-0.452828"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.79547"
                                 y3="-3.14421"
                                 z3="-0.493103"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.270616"
                                 y3="-5.37415"
                                 z3="-1.685549"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.854919"
                                 y3="-6.120187"
                                 z3="-3.893028"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.071252"
                                 y3="-5.801192"
                                 z3="-5.384351"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a42" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9)28-2(10,11,12,13)30-4(18,19,20,21)32-5(22,23,24,25)31-3(14,15,16,17)29(1)6(28,30,31,32,26)27;2-1(3,4)5;/h10-11,14,18-19,22-23,26H,15H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nO3O1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s1s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4597,-2.7857,-4.4208;-.1182,-2.9572,-3.9039;-.3117,-4.9654,-5.9103;.266,-2.2496,-6.5658;1.9098,-5.0878,-4.2238;2.9542,-7.6524,-5.314;.73,-6.225,-1.7877;.2744,-7.1817,-4.5815;2.0183,-8.5888,-2.8027;3.4573,-6.1719,-2.8139;4.7657,-4.4829,-4.6369;2.3531,-4.1125,-1.4383;3.6292,-10.5618,-2.2296;1.0985,-10.4614,-.7276;1.9709,.0457,-4.6194;5.0673,-4.5724,-1.9829;7.3069,-3.2667,-.6016;3.5007,-4.2317,-3.3948;6.5774,-6.4177,-.4117;2.6212,-9.5466,-.7569;2.0995,-7.9123,-.0754;1.1894,-6.862,-1.1695;4.0781,-2.4399,-2.6949;3.577,-10.2737,.5525;6.1196,-3.4056,-3.8469;6.2779,-.8112,-1.379;1.4227,-1.5185,-2.2387;6.2259,-6.7908,-3.2665;.8396,-2.0925,-2.8272;5.2142,-1.3216,-4.1951;4.583,-8.1468,-1.2637;3.4373,-10.0055,-3.0149;4.5701,-.6739,-4.5638;2.9975,-4.4762,-6.2762;6.6703,-2.7429,-3.3582;4.5685,-2.6791,-.0737;2.2936,-4.0348,-6.7918;3.7315,-5.9135,.0005;3.3202,.4381,-2.1692;5.2561,-6.5082,-1.5693;5.9599,-2.5403,-1.4796;2.9196,-.7796,-3.3779;.7996,-3.4455,-5.3843;1.9666,-7.1537,-3.9301;1.9948,-3.1901,-1.4802;3.0783,-6.7166,-.0174;3.2205,-5.1646,-.4528;3.7955,-3.1442,-.4931;1.2706,-5.3742,-1.6855;5.8549,-6.1202,-3.893;-.0713,-5.8012,-5.3844;/R:/0/N:44,43,40,42,41,18,6,8,9,3,37,2,4,28,38,19,31,27,33,15,39,35,36,17,26,12,11,5,10,1,16,23;20,13,14,21,24;7/E:(7,8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)(24,25);(3,4,5);/CRV:6.7,7.1,8.1,9.1,12.1,13.1,15.3,16.1,17.1,20.1,21.1,24.1,25.1,27.1,28.3,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">74</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">74</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55331572</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00264508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00059354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00264508</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00059354</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02147022</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00491948</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.464263"
                                 y3="-2.785293"
                                 z3="-4.423955"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.118009"
                                 y3="-2.951343"
                                 z3="-3.915781"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.308543"
                                 y3="-4.963414"
                                 z3="-5.914955"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.28017"
                                 y3="-2.252847"
                                 z3="-6.579038"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.907452"
                                 y3="-5.085693"
                                 z3="-4.220796"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.949722"
                                 y3="-7.653866"
                                 z3="-5.307081"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.730302"
                                 y3="-6.224562"
                                 z3="-1.782678"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.271077"
                                 y3="-7.176245"
                                 z3="-4.576548"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.011197"
                                 y3="-8.587831"
                                 z3="-2.795709"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.454305"
                                 y3="-6.16971"
                                 z3="-2.81136"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.764803"
                                 y3="-4.485234"
                                 z3="-4.633588"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.350322"
                                 y3="-4.112762"
                                 z3="-1.438322"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.62329"
                                 y3="-10.561325"
                                 z3="-2.236047"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.102272"
                                 y3="-10.465304"
                                 z3="-0.716778"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.973804"
                                 y3="0.046812"
                                 z3="-4.621275"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.067335"
                                 y3="-4.572102"
                                 z3="-1.983376"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.306457"
                                 y3="-3.270156"
                                 z3="-0.603267"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.499469"
                                 y3="-4.230648"
                                 z3="-3.391077"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.584512"
                                 y3="-6.419522"
                                 z3="-0.423022"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.622647"
                                 y3="-9.546871"
                                 z3="-0.757298"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.104097"
                                 y3="-7.913346"
                                 z3="-0.072143"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.189099"
                                 y3="-6.862229"
                                 z3="-1.165096"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.072522"
                                 y3="-2.438733"
                                 z3="-2.68888"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.588535"
                                 y3="-10.273306"
                                 z3="0.545315"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.115116"
                                 y3="-3.401226"
                                 z3="-3.847237"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.277742"
                                 y3="-0.812038"
                                 z3="-1.37327"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.41796"
                                 y3="-1.516344"
                                 z3="-2.244352"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.221542"
                                 y3="-6.788357"
                                 z3="-3.275651"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.836418"
                                 y3="-2.089155"
                                 z3="-2.83536"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.216973"
                                 y3="-1.320061"
                                 z3="-4.187139"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.585047"
                                 y3="-8.14696"
                                 z3="-1.271144"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.429657"
                                 y3="-10.003742"
                                 z3="-3.019991"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.572975"
                                 y3="-0.672176"
                                 z3="-4.556496"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.996292"
                                 y3="-4.497701"
                                 z3="-6.273786"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.662297"
                                 y3="-2.736514"
                                 z3="-3.357277"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.568365"
                                 y3="-2.683547"
                                 z3="-0.069313"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.300459"
                                 y3="-4.048379"
                                 z3="-6.793551"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.736928"
                                 y3="-5.916331"
                                 z3="0.001098"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.315376"
                                 y3="0.440602"
                                 z3="-2.166048"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.258229"
                                 y3="-6.508738"
                                 z3="-1.575005"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.958289"
                                 y3="-2.540956"
                                 z3="-1.476653"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.919875"
                                 y3="-0.776987"
                                 z3="-3.376712"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.806222"
                                 y3="-3.444885"
                                 z3="-5.39009"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.962691"
                                 y3="-7.151881"
                                 z3="-3.923962"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.98884"
                                 y3="-3.191706"
                                 z3="-1.479614"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.082061"
                                 y3="-6.718546"
                                 z3="-0.015517"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.225202"
                                 y3="-5.167713"
                                 z3="-0.449755"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.792917"
                                 y3="-3.142648"
                                 z3="-0.490284"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.271095"
                                 y3="-5.372571"
                                 z3="-1.679618"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.852731"
                                 y3="-6.112918"
                                 z3="-3.898854"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.070677"
                                 y3="-5.797607"
                                 z3="-5.385072"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4643,-2.7853,-4.424;-.118,-2.9513,-3.9158;-.3085,-4.9634,-5.915;.2802,-2.2528,-6.579;1.9075,-5.0857,-4.2208;2.9497,-7.6539,-5.3071;.7303,-6.2246,-1.7827;.2711,-7.1762,-4.5765;2.0112,-8.5878,-2.7957;3.4543,-6.1697,-2.8114;4.7648,-4.4852,-4.6336;2.3503,-4.1128,-1.4383;3.6233,-10.5613,-2.236;1.1023,-10.4653,-.7168;1.9738,.0468,-4.6213;5.0673,-4.5721,-1.9834;7.3065,-3.2702,-.6033;3.4995,-4.2306,-3.3911;6.5845,-6.4195,-.423;2.6226,-9.5469,-.7573;2.1041,-7.9133,-.0721;1.1891,-6.8622,-1.1651;4.0725,-2.4387,-2.6889;3.5885,-10.2733,.5453;6.1151,-3.4012,-3.8472;6.2777,-.812,-1.3733;1.418,-1.5163,-2.2444;6.2215,-6.7884,-3.2757;.8364,-2.0892,-2.8354;5.217,-1.3201,-4.1871;4.585,-8.147,-1.2711;3.4297,-10.0037,-3.02;4.573,-.6722,-4.5565;2.9963,-4.4977,-6.2738;6.6623,-2.7365,-3.3573;4.5684,-2.6835,-.0693;2.3005,-4.0484,-6.7936;3.7369,-5.9163,.0011;3.3154,.4406,-2.166;5.2582,-6.5087,-1.575;5.9583,-2.541,-1.4767;2.9199,-.777,-3.3767;.8062,-3.4449,-5.3901;1.9627,-7.1519,-3.924;1.9888,-3.1917,-1.4796;3.0821,-6.7185,-.0155;3.2252,-5.1677,-.4498;3.7929,-3.1426,-.4903;1.2711,-5.3726,-1.6796;5.8527,-6.1129,-3.8989;-.0707,-5.7976,-5.3851;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">75</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">75</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55342400</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00225381</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053356</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00225381</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053356</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02256586</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00588839</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.468608"
                                 y3="-2.78325"
                                 z3="-4.428279"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.117773"
                                 y3="-2.942569"
                                 z3="-3.929918"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.30573"
                                 y3="-4.960516"
                                 z3="-5.918886"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.297058"
                                 y3="-2.25559"
                                 z3="-6.594139"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.904559"
                                 y3="-5.082438"
                                 z3="-4.217164"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.943638"
                                 y3="-7.655281"
                                 z3="-5.300545"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.732435"
                                 y3="-6.224085"
                                 z3="-1.776001"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.266713"
                                 y3="-7.172193"
                                 z3="-4.568865"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.005914"
                                 y3="-8.585861"
                                 z3="-2.788281"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.453068"
                                 y3="-6.167991"
                                 z3="-2.810322"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.762272"
                                 y3="-4.486028"
                                 z3="-4.631624"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.348807"
                                 y3="-4.11234"
                                 z3="-1.436858"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.616898"
                                 y3="-10.560714"
                                 z3="-2.24199"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.107043"
                                 y3="-10.469412"
                                 z3="-0.705387"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.977121"
                                 y3="0.048808"
                                 z3="-4.62407"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.06674"
                                 y3="-4.571111"
                                 z3="-1.984452"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.301538"
                                 y3="-3.270359"
                                 z3="-0.597635"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.498444"
                                 y3="-4.228681"
                                 z3="-3.387848"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.595614"
                                 y3="-6.420984"
                                 z3="-0.441434"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.625248"
                                 y3="-9.547761"
                                 z3="-0.756474"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.109978"
                                 y3="-7.914921"
                                 z3="-0.067889"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.191527"
                                 y3="-6.861484"
                                 z3="-1.158578"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.066608"
                                 y3="-2.437034"
                                 z3="-2.683053"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.600973"
                                 y3="-10.273822"
                                 z3="0.539143"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.114253"
                                 y3="-3.39787"
                                 z3="-3.84231"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.272414"
                                 y3="-0.810738"
                                 z3="-1.364838"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.414221"
                                 y3="-1.514177"
                                 z3="-2.250559"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.214599"
                                 y3="-6.786738"
                                 z3="-3.288737"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.833713"
                                 y3="-2.084878"
                                 z3="-2.844673"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.220656"
                                 y3="-1.318348"
                                 z3="-4.179165"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.589148"
                                 y3="-8.148387"
                                 z3="-1.278667"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.419343"
                                 y3="-10.002416"
                                 z3="-3.024572"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.575909"
                                 y3="-0.672503"
                                 z3="-4.551526"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.996186"
                                 y3="-4.520267"
                                 z3="-6.27202"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.656197"
                                 y3="-2.729777"
                                 z3="-3.351389"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.563155"
                                 y3="-2.687877"
                                 z3="-0.064999"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.308593"
                                 y3="-4.062348"
                                 z3="-6.79529"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.744949"
                                 y3="-5.920851"
                                 z3="0.001624"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.312502"
                                 y3="0.443985"
                                 z3="-2.165158"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.260697"
                                 y3="-6.510403"
                                 z3="-1.58319"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.953973"
                                 y3="-2.539886"
                                 z3="-1.470443"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.920526"
                                 y3="-0.773966"
                                 z3="-3.376763"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.814266"
                                 y3="-3.44342"
                                 z3="-5.396982"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.958583"
                                 y3="-7.149668"
                                 z3="-3.917496"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.98225"
                                 y3="-3.193314"
                                 z3="-1.478923"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.088664"
                                 y3="-6.722136"
                                 z3="-0.012764"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.232209"
                                 y3="-5.172272"
                                 z3="-0.445659"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.786395"
                                 y3="-3.142712"
                                 z3="-0.488688"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.272701"
                                 y3="-5.371212"
                                 z3="-1.672935"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.839352"
                                 y3="-6.114045"
                                 z3="-3.911335"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.071036"
                                 y3="-5.792768"
                                 z3="-5.385402"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4686,-2.7832,-4.4283;-.1178,-2.9426,-3.9299;-.3057,-4.9605,-5.9189;.2971,-2.2556,-6.5941;1.9046,-5.0824,-4.2172;2.9436,-7.6553,-5.3005;.7324,-6.2241,-1.776;.2667,-7.1722,-4.5689;2.0059,-8.5859,-2.7883;3.4531,-6.168,-2.8103;4.7623,-4.486,-4.6316;2.3488,-4.1123,-1.4369;3.6169,-10.5607,-2.242;1.107,-10.4694,-.7054;1.9771,.0488,-4.6241;5.0667,-4.5711,-1.9845;7.3015,-3.2704,-.5976;3.4984,-4.2287,-3.3878;6.5956,-6.421,-.4414;2.6252,-9.5478,-.7565;2.11,-7.9149,-.0679;1.1915,-6.8615,-1.1586;4.0666,-2.437,-2.6831;3.601,-10.2738,.5391;6.1143,-3.3979,-3.8423;6.2724,-.8107,-1.3648;1.4142,-1.5142,-2.2506;6.2146,-6.7867,-3.2887;.8337,-2.0849,-2.8447;5.2207,-1.3183,-4.1792;4.5891,-8.1484,-1.2787;3.4193,-10.0024,-3.0246;4.5759,-.6725,-4.5515;2.9962,-4.5203,-6.272;6.6562,-2.7298,-3.3514;4.5632,-2.6879,-.065;2.3086,-4.0623,-6.7953;3.7449,-5.9209,.0016;3.3125,.444,-2.1652;5.2607,-6.5104,-1.5832;5.954,-2.5399,-1.4704;2.9205,-.774,-3.3768;.8143,-3.4434,-5.397;1.9586,-7.1497,-3.9175;1.9823,-3.1933,-1.4789;3.0887,-6.7221,-.0128;3.2322,-5.1723,-.4457;3.7864,-3.1427,-.4887;1.2727,-5.3712,-1.6729;5.8394,-6.114,-3.9113;-.071,-5.7928,-5.3854;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">76</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">76</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55352343</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00249925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00052185</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00249925</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00052185</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02081335</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00529683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.4724"
                                 y3="-2.781244"
                                 z3="-4.43245"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.116439"
                                 y3="-2.933865"
                                 z3="-3.940789"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.304428"
                                 y3="-4.958673"
                                 z3="-5.91993"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.310728"
                                 y3="-2.258533"
                                 z3="-6.606064"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.901834"
                                 y3="-5.079401"
                                 z3="-4.214713"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.93832"
                                 y3="-7.656349"
                                 z3="-5.295908"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.734081"
                                 y3="-6.223913"
                                 z3="-1.769534"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.262822"
                                 y3="-7.169228"
                                 z3="-4.562485"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="2.002417"
                                 y3="-8.584296"
                                 z3="-2.783021"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.451385"
                                 y3="-6.166594"
                                 z3="-2.809755"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.760623"
                                 y3="-4.487081"
                                 z3="-4.628878"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.347827"
                                 y3="-4.111412"
                                 z3="-1.434839"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.611972"
                                 y3="-10.561355"
                                 z3="-2.24661"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.111247"
                                 y3="-10.472684"
                                 z3="-0.697222"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.981153"
                                 y3="0.050682"
                                 z3="-4.627639"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.065416"
                                 y3="-4.570275"
                                 z3="-1.984666"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.294695"
                                 y3="-3.269148"
                                 z3="-0.589163"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.4970"
                                 y3="-4.226765"
                                 z3="-3.385379"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.605856"
                                 y3="-6.423425"
                                 z3="-0.458533"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.627986"
                                 y3="-9.548959"
                                 z3="-0.756266"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.115342"
                                 y3="-7.916651"
                                 z3="-0.064825"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.194056"
                                 y3="-6.860989"
                                 z3="-1.152614"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.061936"
                                 y3="-2.435705"
                                 z3="-2.678392"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.611359"
                                 y3="-10.27459"
                                 z3="0.533911"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.114513"
                                 y3="-3.3956"
                                 z3="-3.835564"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.266701"
                                 y3="-0.808567"
                                 z3="-1.356264"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.412703"
                                 y3="-1.511474"
                                 z3="-2.256042"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.20723"
                                 y3="-6.782624"
                                 z3="-3.301706"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.832706"
                                 y3="-2.080466"
                                 z3="-2.852544"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.225078"
                                 y3="-1.317866"
                                 z3="-4.17358"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.593119"
                                 y3="-8.150149"
                                 z3="-1.286939"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.410415"
                                 y3="-10.00315"
                                 z3="-3.028287"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.57925"
                                 y3="-0.674933"
                                 z3="-4.549632"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.99476"
                                 y3="-4.54108"
                                 z3="-6.27051"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.652109"
                                 y3="-2.72459"
                                 z3="-3.344135"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.555851"
                                 y3="-2.690178"
                                 z3="-0.061833"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.314838"
                                 y3="-4.074138"
                                 z3="-6.795976"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.75227"
                                 y3="-5.925286"
                                 z3="0.002238"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.313157"
                                 y3="0.447489"
                                 z3="-2.167008"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.262916"
                                 y3="-6.511831"
                                 z3="-1.590868"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.948963"
                                 y3="-2.537786"
                                 z3="-1.463852"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.922323"
                                 y3="-0.771337"
                                 z3="-3.378143"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.820904"
                                 y3="-3.442766"
                                 z3="-5.402131"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.955111"
                                 y3="-7.148018"
                                 z3="-3.912603"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.976872"
                                 y3="-3.19415"
                                 z3="-1.478342"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.094833"
                                 y3="-6.725817"
                                 z3="-0.010381"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.239225"
                                 y3="-5.176514"
                                 z3="-0.442099"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.77895"
                                 y3="-3.142687"
                                 z3="-0.488432"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.273761"
                                 y3="-5.370311"
                                 z3="-1.666878"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.826069"
                                 y3="-6.110809"
                                 z3="-3.922059"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.072497"
                                 y3="-5.789521"
                                 z3="-5.384076"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4724,-2.7812,-4.4325;-.1164,-2.9339,-3.9408;-.3044,-4.9587,-5.9199;.3107,-2.2585,-6.6061;1.9018,-5.0794,-4.2147;2.9383,-7.6563,-5.2959;.7341,-6.2239,-1.7695;.2628,-7.1692,-4.5625;2.0024,-8.5843,-2.783;3.4514,-6.1666,-2.8098;4.7606,-4.4871,-4.6289;2.3478,-4.1114,-1.4348;3.612,-10.5614,-2.2466;1.1112,-10.4727,-.6972;1.9812,.0507,-4.6276;5.0654,-4.5703,-1.9847;7.2947,-3.2691,-.5892;3.497,-4.2268,-3.3854;6.6059,-6.4234,-.4585;2.628,-9.549,-.7563;2.1153,-7.9167,-.0648;1.1941,-6.861,-1.1526;4.0619,-2.4357,-2.6784;3.6114,-10.2746,.5339;6.1145,-3.3956,-3.8356;6.2667,-.8086,-1.3563;1.4127,-1.5115,-2.256;6.2072,-6.7826,-3.3017;.8327,-2.0805,-2.8525;5.2251,-1.3179,-4.1736;4.5931,-8.1501,-1.2869;3.4104,-10.0031,-3.0283;4.5793,-.6749,-4.5496;2.9948,-4.5411,-6.2705;6.6521,-2.7246,-3.3441;4.5559,-2.6902,-.0618;2.3148,-4.0741,-6.796;3.7523,-5.9253,.0022;3.3132,.4475,-2.167;5.2629,-6.5118,-1.5909;5.949,-2.5378,-1.4639;2.9223,-.7713,-3.3781;.8209,-3.4428,-5.4021;1.9551,-7.148,-3.9126;1.9769,-3.1942,-1.4783;3.0948,-6.7258,-.0104;3.2392,-5.1765,-.4421;3.779,-3.1427,-.4884;1.2738,-5.3703,-1.6669;5.8261,-6.1108,-3.9221;-.0725,-5.7895,-5.3841;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">77</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">77</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55358177</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00275290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053018</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00275290</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053018</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01553344</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00476987</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.475117"
                                 y3="-2.77999"
                                 z3="-4.436531"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.114784"
                                 y3="-2.92851"
                                 z3="-3.947897"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.302745"
                                 y3="-4.957991"
                                 z3="-5.921219"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.321975"
                                 y3="-2.260436"
                                 z3="-6.613617"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.899749"
                                 y3="-5.077426"
                                 z3="-4.213346"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.932295"
                                 y3="-7.657958"
                                 z3="-5.292422"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.734789"
                                 y3="-6.223083"
                                 z3="-1.763132"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.257733"
                                 y3="-7.167559"
                                 z3="-4.555876"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.999238"
                                 y3="-8.582939"
                                 z3="-2.779016"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.449279"
                                 y3="-6.166169"
                                 z3="-2.80928"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.760205"
                                 y3="-4.488226"
                                 z3="-4.625262"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.347628"
                                 y3="-4.110524"
                                 z3="-1.432278"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.607291"
                                 y3="-10.562408"
                                 z3="-2.251798"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.115763"
                                 y3="-10.475103"
                                 z3="-0.690887"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.985659"
                                 y3="0.051669"
                                 z3="-4.631872"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.063467"
                                 y3="-4.569563"
                                 z3="-1.983151"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.286861"
                                 y3="-3.265835"
                                 z3="-0.579381"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.495002"
                                 y3="-4.225643"
                                 z3="-3.383795"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.614536"
                                 y3="-6.427117"
                                 z3="-0.471993"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.63157"
                                 y3="-9.550173"
                                 z3="-0.756362"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.120206"
                                 y3="-7.918668"
                                 z3="-0.061956"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.19643"
                                 y3="-6.859925"
                                 z3="-1.147308"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.058848"
                                 y3="-2.435426"
                                 z3="-2.675589"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.621226"
                                 y3="-10.275732"
                                 z3="0.528988"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.115544"
                                 y3="-3.394076"
                                 z3="-3.82751"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.259722"
                                 y3="-0.805571"
                                 z3="-1.34819"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.413029"
                                 y3="-1.509351"
                                 z3="-2.260878"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.200026"
                                 y3="-6.775534"
                                 z3="-3.313787"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.832997"
                                 y3="-2.077186"
                                 z3="-2.858864"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.229767"
                                 y3="-1.31968"
                                 z3="-4.170375"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.597398"
                                 y3="-8.152004"
                                 z3="-1.295024"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.399645"
                                 y3="-10.004948"
                                 z3="-3.032422"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.583284"
                                 y3="-0.679137"
                                 z3="-4.549687"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.993819"
                                 y3="-4.556614"
                                 z3="-6.271392"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.650469"
                                 y3="-2.720619"
                                 z3="-3.336802"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.546849"
                                 y3="-2.68995"
                                 z3="-0.060034"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.319118"
                                 y3="-4.081869"
                                 z3="-6.796628"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.759069"
                                 y3="-5.929236"
                                 z3="0.003123"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.316255"
                                 y3="0.45023"
                                 z3="-2.171099"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.265366"
                                 y3="-6.512576"
                                 z3="-1.597248"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.943194"
                                 y3="-2.534715"
                                 z3="-1.457661"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.924805"
                                 y3="-0.769832"
                                 z3="-3.380607"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.826356"
                                 y3="-3.442991"
                                 z3="-5.405469"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.950914"
                                 y3="-7.147209"
                                 z3="-3.908711"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.974758"
                                 y3="-3.193971"
                                 z3="-1.477326"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.100847"
                                 y3="-6.729038"
                                 z3="-0.007944"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.246027"
                                 y3="-5.180189"
                                 z3="-0.439455"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.771776"
                                 y3="-3.144197"
                                 z3="-0.488893"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.273997"
                                 y3="-5.369183"
                                 z3="-1.661445"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.813149"
                                 y3="-6.102655"
                                 z3="-3.930236"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.073797"
                                 y3="-5.787779"
                                 z3="-5.383864"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4751,-2.78,-4.4365;-.1148,-2.9285,-3.9479;-.3027,-4.958,-5.9212;.322,-2.2604,-6.6136;1.8997,-5.0774,-4.2133;2.9323,-7.658,-5.2924;.7348,-6.2231,-1.7631;.2577,-7.1676,-4.5559;1.9992,-8.5829,-2.779;3.4493,-6.1662,-2.8093;4.7602,-4.4882,-4.6253;2.3476,-4.1105,-1.4323;3.6073,-10.5624,-2.2518;1.1158,-10.4751,-.6909;1.9857,.0517,-4.6319;5.0635,-4.5696,-1.9832;7.2869,-3.2658,-.5794;3.495,-4.2256,-3.3838;6.6145,-6.4271,-.472;2.6316,-9.5502,-.7564;2.1202,-7.9187,-.062;1.1964,-6.8599,-1.1473;4.0588,-2.4354,-2.6756;3.6212,-10.2757,.529;6.1155,-3.3941,-3.8275;6.2597,-.8056,-1.3482;1.413,-1.5094,-2.2609;6.2,-6.7755,-3.3138;.833,-2.0772,-2.8589;5.2298,-1.3197,-4.1704;4.5974,-8.152,-1.295;3.3996,-10.0049,-3.0324;4.5833,-.6791,-4.5497;2.9938,-4.5566,-6.2714;6.6505,-2.7206,-3.3368;4.5468,-2.69,-.06;2.3191,-4.0819,-6.7966;3.7591,-5.9292,.0031;3.3163,.4502,-2.1711;5.2654,-6.5126,-1.5972;5.9432,-2.5347,-1.4577;2.9248,-.7698,-3.3806;.8264,-3.443,-5.4055;1.9509,-7.1472,-3.9087;1.9748,-3.194,-1.4773;3.1008,-6.729,-.0079;3.246,-5.1802,-.4395;3.7718,-3.1442,-.4889;1.274,-5.3692,-1.6614;5.8131,-6.1027,-3.9302;-.0738,-5.7878,-5.3839;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">78</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">78</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55368726</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00252227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00048915</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00252227</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00048915</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02107510</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00484173</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.477402"
                                 y3="-2.779723"
                                 z3="-4.441592"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.112606"
                                 y3="-2.923887"
                                 z3="-3.953413"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.302131"
                                 y3="-4.95692"
                                 z3="-5.922887"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.332787"
                                 y3="-2.260797"
                                 z3="-6.61972"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.8971"
                                 y3="-5.075887"
                                 z3="-4.212204"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.923002"
                                 y3="-7.658621"
                                 z3="-5.291002"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.734115"
                                 y3="-6.222223"
                                 z3="-1.754522"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.250276"
                                 y3="-7.16575"
                                 z3="-4.548254"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.995393"
                                 y3="-8.582311"
                                 z3="-2.776561"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.445266"
                                 y3="-6.166369"
                                 z3="-2.807873"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.761904"
                                 y3="-4.49125"
                                 z3="-4.619513"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.348254"
                                 y3="-4.109618"
                                 z3="-1.428147"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.604326"
                                 y3="-10.563783"
                                 z3="-2.259091"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.122494"
                                 y3="-10.479425"
                                 z3="-0.687071"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.991582"
                                 y3="0.052007"
                                 z3="-4.637867"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.060303"
                                 y3="-4.568945"
                                 z3="-1.979259"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.279826"
                                 y3="-3.260096"
                                 z3="-0.571014"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.491869"
                                 y3="-4.225719"
                                 z3="-3.383125"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.618564"
                                 y3="-6.431456"
                                 z3="-0.477854"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.636752"
                                 y3="-9.552404"
                                 z3="-0.757895"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.124421"
                                 y3="-7.92253"
                                 z3="-0.059956"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.198264"
                                 y3="-6.860234"
                                 z3="-1.141816"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.057262"
                                 y3="-2.436385"
                                 z3="-2.675362"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.632125"
                                 y3="-10.277514"
                                 z3="0.523042"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.115551"
                                 y3="-3.394739"
                                 z3="-3.81942"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.251836"
                                 y3="-0.802083"
                                 z3="-1.343504"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.415327"
                                 y3="-1.506947"
                                 z3="-2.266022"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.192525"
                                 y3="-6.76367"
                                 z3="-3.32306"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.83446"
                                 y3="-2.074034"
                                 z3="-2.864537"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.234717"
                                 y3="-1.323731"
                                 z3="-4.169477"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.601751"
                                 y3="-8.154378"
                                 z3="-1.303446"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.390095"
                                 y3="-10.006866"
                                 z3="-3.038248"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.588542"
                                 y3="-0.684178"
                                 z3="-4.551075"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.992685"
                                 y3="-4.570288"
                                 z3="-6.273075"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.649974"
                                 y3="-2.718933"
                                 z3="-3.331569"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.538289"
                                 y3="-2.687528"
                                 z3="-0.059465"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.322004"
                                 y3="-4.08853"
                                 z3="-6.796908"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.763655"
                                 y3="-5.933861"
                                 z3="0.004915"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.321171"
                                 y3="0.452432"
                                 z3="-2.177533"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.266864"
                                 y3="-6.512564"
                                 z3="-1.601027"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.937379"
                                 y3="-2.531127"
                                 z3="-1.453396"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.928062"
                                 y3="-0.769235"
                                 z3="-3.384501"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.831123"
                                 y3="-3.442968"
                                 z3="-5.408704"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.944809"
                                 y3="-7.146869"
                                 z3="-3.905524"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.976346"
                                 y3="-3.192793"
                                 z3="-1.474847"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.105305"
                                 y3="-6.733259"
                                 z3="-0.00583"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.250961"
                                 y3="-5.184338"
                                 z3="-0.43645"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.766395"
                                 y3="-3.147764"
                                 z3="-0.488658"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.274586"
                                 y3="-5.369536"
                                 z3="-1.654595"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.806374"
                                 y3="-6.081579"
                                 z3="-3.931214"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.077615"
                                 y3="-5.785405"
                                 z3="-5.383281"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4774,-2.7797,-4.4416;-.1126,-2.9239,-3.9534;-.3021,-4.9569,-5.9229;.3328,-2.2608,-6.6197;1.8971,-5.0759,-4.2122;2.923,-7.6586,-5.291;.7341,-6.2222,-1.7545;.2503,-7.1658,-4.5483;1.9954,-8.5823,-2.7766;3.4453,-6.1664,-2.8079;4.7619,-4.4912,-4.6195;2.3483,-4.1096,-1.4281;3.6043,-10.5638,-2.2591;1.1225,-10.4794,-.6871;1.9916,.052,-4.6379;5.0603,-4.5689,-1.9793;7.2798,-3.2601,-.571;3.4919,-4.2257,-3.3831;6.6186,-6.4315,-.4779;2.6368,-9.5524,-.7579;2.1244,-7.9225,-.06;1.1983,-6.8602,-1.1418;4.0573,-2.4364,-2.6754;3.6321,-10.2775,.523;6.1156,-3.3947,-3.8194;6.2518,-.8021,-1.3435;1.4153,-1.5069,-2.266;6.1925,-6.7637,-3.3231;.8345,-2.074,-2.8645;5.2347,-1.3237,-4.1695;4.6018,-8.1544,-1.3034;3.3901,-10.0069,-3.0382;4.5885,-.6842,-4.5511;2.9927,-4.5703,-6.2731;6.65,-2.7189,-3.3316;4.5383,-2.6875,-.0595;2.322,-4.0885,-6.7969;3.7637,-5.9339,.0049;3.3212,.4524,-2.1775;5.2669,-6.5126,-1.601;5.9374,-2.5311,-1.4534;2.9281,-.7692,-3.3845;.8311,-3.443,-5.4087;1.9448,-7.1469,-3.9055;1.9763,-3.1928,-1.4748;3.1053,-6.7333,-.0058;3.251,-5.1843,-.4365;3.7664,-3.1478,-.4887;1.2746,-5.3695,-1.6546;5.8064,-6.0816,-3.9312;-.0776,-5.7854,-5.3833;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">79</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">79</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55369812</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00240971</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00041653</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00240971</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00041653</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01240831</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00357282</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.4798"
                                 y3="-2.779655"
                                 z3="-4.444896"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.11092"
                                 y3="-2.919399"
                                 z3="-3.958897"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.300989"
                                 y3="-4.955855"
                                 z3="-5.92465"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.342002"
                                 y3="-2.261916"
                                 z3="-6.626367"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.894809"
                                 y3="-5.074305"
                                 z3="-4.211051"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.914963"
                                 y3="-7.65869"
                                 z3="-5.290456"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.733264"
                                 y3="-6.221975"
                                 z3="-1.748279"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.244478"
                                 y3="-7.162223"
                                 z3="-4.543388"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.991065"
                                 y3="-8.581863"
                                 z3="-2.774809"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.442347"
                                 y3="-6.166164"
                                 z3="-2.807334"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.762914"
                                 y3="-4.492808"
                                 z3="-4.615916"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.348061"
                                 y3="-4.10881"
                                 z3="-1.425558"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.602552"
                                 y3="-10.564154"
                                 z3="-2.263828"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.127463"
                                 y3="-10.481686"
                                 z3="-0.6828"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.996379"
                                 y3="0.05256"
                                 z3="-4.642294"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.05802"
                                 y3="-4.568939"
                                 z3="-1.977181"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.274285"
                                 y3="-3.258556"
                                 z3="-0.56557"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.489781"
                                 y3="-4.225825"
                                 z3="-3.38257"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.622974"
                                 y3="-6.434012"
                                 z3="-0.484715"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.640457"
                                 y3="-9.553165"
                                 z3="-0.758743"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.128308"
                                 y3="-7.924004"
                                 z3="-0.058905"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.199184"
                                 y3="-6.861038"
                                 z3="-1.137966"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.055792"
                                 y3="-2.436877"
                                 z3="-2.674402"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.640549"
                                 y3="-10.2771"
                                 z3="0.519118"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.115077"
                                 y3="-3.39436"
                                 z3="-3.814421"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.247203"
                                 y3="-0.800702"
                                 z3="-1.3388"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.415272"
                                 y3="-1.505207"
                                 z3="-2.270638"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.187873"
                                 y3="-6.757142"
                                 z3="-3.330583"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.834338"
                                 y3="-2.072041"
                                 z3="-2.869706"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.237631"
                                 y3="-1.326819"
                                 z3="-4.167543"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.604781"
                                 y3="-8.155162"
                                 z3="-1.309134"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.385192"
                                 y3="-10.007025"
                                 z3="-3.041889"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.592612"
                                 y3="-0.686225"
                                 z3="-4.549494"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.992113"
                                 y3="-4.582697"
                                 z3="-6.270643"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.648707"
                                 y3="-2.71697"
                                 z3="-3.327881"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.53239"
                                 y3="-2.687536"
                                 z3="-0.05832"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.325951"
                                 y3="-4.095932"
                                 z3="-6.795673"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.768535"
                                 y3="-5.936441"
                                 z3="0.005833"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.321804"
                                 y3="0.453462"
                                 z3="-2.179927"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.268613"
                                 y3="-6.51225"
                                 z3="-1.604906"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.933209"
                                 y3="-2.529579"
                                 z3="-1.450021"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.929665"
                                 y3="-0.768758"
                                 z3="-3.386493"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.8350"
                                 y3="-3.442672"
                                 z3="-5.411775"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.939785"
                                 y3="-7.146197"
                                 z3="-3.903206"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.975863"
                                 y3="-3.19233"
                                 z3="-1.473928"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.110071"
                                 y3="-6.735828"
                                 z3="-0.005227"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.256095"
                                 y3="-5.186549"
                                 z3="-0.433963"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.761733"
                                 y3="-3.149702"
                                 z3="-0.488319"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.274483"
                                 y3="-5.36951"
                                 z3="-1.649233"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.800268"
                                 y3="-6.07093"
                                 z3="-3.933993"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.080081"
                                 y3="-5.783049"
                                 z3="-5.382068"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4798,-2.7797,-4.4449;-.1109,-2.9194,-3.9589;-.301,-4.9559,-5.9246;.342,-2.2619,-6.6264;1.8948,-5.0743,-4.2111;2.915,-7.6587,-5.2905;.7333,-6.222,-1.7483;.2445,-7.1622,-4.5434;1.9911,-8.5819,-2.7748;3.4423,-6.1662,-2.8073;4.7629,-4.4928,-4.6159;2.3481,-4.1088,-1.4256;3.6026,-10.5642,-2.2638;1.1275,-10.4817,-.6828;1.9964,.0526,-4.6423;5.058,-4.5689,-1.9772;7.2743,-3.2586,-.5656;3.4898,-4.2258,-3.3826;6.623,-6.434,-.4847;2.6405,-9.5532,-.7587;2.1283,-7.924,-.0589;1.1992,-6.861,-1.138;4.0558,-2.4369,-2.6744;3.6405,-10.2771,.5191;6.1151,-3.3944,-3.8144;6.2472,-.8007,-1.3388;1.4153,-1.5052,-2.2706;6.1879,-6.7571,-3.3306;.8343,-2.072,-2.8697;5.2376,-1.3268,-4.1675;4.6048,-8.1552,-1.3091;3.3852,-10.007,-3.0419;4.5926,-.6862,-4.5495;2.9921,-4.5827,-6.2706;6.6487,-2.717,-3.3279;4.5324,-2.6875,-.0583;2.326,-4.0959,-6.7957;3.7685,-5.9364,.0058;3.3218,.4535,-2.1799;5.2686,-6.5122,-1.6049;5.9332,-2.5296,-1.45;2.9297,-.7688,-3.3865;.835,-3.4427,-5.4118;1.9398,-7.1462,-3.9032;1.9759,-3.1923,-1.4739;3.1101,-6.7358,-.0052;3.2561,-5.1865,-.434;3.7617,-3.1497,-.4883;1.2745,-5.3695,-1.6492;5.8003,-6.0709,-3.934;-.0801,-5.783,-5.3821;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">80</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">80</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55378511</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00238003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00039618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00238003</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00039618</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00742693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00215844</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.481525"
                                 y3="-2.780203"
                                 z3="-4.446757"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.109468"
                                 y3="-2.916904"
                                 z3="-3.962167"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.301014"
                                 y3="-4.954075"
                                 z3="-5.926679"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.346699"
                                 y3="-2.26205"
                                 z3="-6.630847"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.892863"
                                 y3="-5.073264"
                                 z3="-4.209327"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.907536"
                                 y3="-7.657054"
                                 z3="-5.292524"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.732229"
                                 y3="-6.221856"
                                 z3="-1.743414"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.239053"
                                 y3="-7.158896"
                                 z3="-4.538683"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.987779"
                                 y3="-8.582448"
                                 z3="-2.775847"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.439929"
                                 y3="-6.166273"
                                 z3="-2.806796"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.764647"
                                 y3="-4.493968"
                                 z3="-4.613037"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.348078"
                                 y3="-4.107548"
                                 z3="-1.422578"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.604607"
                                 y3="-10.562777"
                                 z3="-2.268063"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.132405"
                                 y3="-10.485085"
                                 z3="-0.682108"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.999643"
                                 y3="0.05234"
                                 z3="-4.645469"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.056056"
                                 y3="-4.569251"
                                 z3="-1.974458"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.27324"
                                 y3="-3.257505"
                                 z3="-0.565547"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.488269"
                                 y3="-4.226809"
                                 z3="-3.382475"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.6225"
                                 y3="-6.434037"
                                 z3="-0.483679"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.643746"
                                 y3="-9.55424"
                                 z3="-0.760117"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.129588"
                                 y3="-7.925928"
                                 z3="-0.059714"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.199934"
                                 y3="-6.862063"
                                 z3="-1.13555"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.055966"
                                 y3="-2.437768"
                                 z3="-2.674843"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.645945"
                                 y3="-10.276874"
                                 z3="0.516734"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.113481"
                                 y3="-3.395072"
                                 z3="-3.813405"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.246292"
                                 y3="-0.800012"
                                 z3="-1.339444"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.415008"
                                 y3="-1.504329"
                                 z3="-2.27382"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.186791"
                                 y3="-6.754452"
                                 z3="-3.331012"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.833475"
                                 y3="-2.070734"
                                 z3="-2.872976"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.238672"
                                 y3="-1.329677"
                                 z3="-4.167029"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.605809"
                                 y3="-8.154885"
                                 z3="-1.310053"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.386729"
                                 y3="-10.004145"
                                 z3="-3.044869"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.595514"
                                 y3="-0.686411"
                                 z3="-4.547632"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.992146"
                                 y3="-4.588228"
                                 z3="-6.268743"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.648308"
                                 y3="-2.717824"
                                 z3="-3.327762"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.531334"
                                 y3="-2.686769"
                                 z3="-0.057905"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.327444"
                                 y3="-4.10073"
                                 z3="-6.79491"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.768946"
                                 y3="-5.938514"
                                 z3="0.006803"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.320639"
                                 y3="0.453182"
                                 z3="-2.180772"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.268779"
                                 y3="-6.511249"
                                 z3="-1.604767"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.931828"
                                 y3="-2.528791"
                                 z3="-1.449802"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.930236"
                                 y3="-0.769241"
                                 z3="-3.387708"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.836803"
                                 y3="-3.441967"
                                 z3="-5.414317"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.935744"
                                 y3="-7.145816"
                                 z3="-3.90261"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.976649"
                                 y3="-3.191093"
                                 z3="-1.472985"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.111578"
                                 y3="-6.738995"
                                 z3="-0.005762"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.256174"
                                 y3="-5.188597"
                                 z3="-0.432017"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.760875"
                                 y3="-3.150428"
                                 z3="-0.487164"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.273671"
                                 y3="-5.369482"
                                 z3="-1.645105"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.799595"
                                 y3="-6.065417"
                                 z3="-3.93212"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.082557"
                                 y3="-5.780401"
                                 z3="-5.381575"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4815,-2.7802,-4.4468;-.1095,-2.9169,-3.9622;-.301,-4.9541,-5.9267;.3467,-2.262,-6.6308;1.8929,-5.0733,-4.2093;2.9075,-7.6571,-5.2925;.7322,-6.2219,-1.7434;.2391,-7.1589,-4.5387;1.9878,-8.5824,-2.7758;3.4399,-6.1663,-2.8068;4.7646,-4.494,-4.613;2.3481,-4.1075,-1.4226;3.6046,-10.5628,-2.2681;1.1324,-10.4851,-.6821;1.9996,.0523,-4.6455;5.0561,-4.5693,-1.9745;7.2732,-3.2575,-.5655;3.4883,-4.2268,-3.3825;6.6225,-6.434,-.4837;2.6437,-9.5542,-.7601;2.1296,-7.9259,-.0597;1.1999,-6.8621,-1.1356;4.056,-2.4378,-2.6748;3.6459,-10.2769,.5167;6.1135,-3.3951,-3.8134;6.2463,-.8,-1.3394;1.415,-1.5043,-2.2738;6.1868,-6.7545,-3.331;.8335,-2.0707,-2.873;5.2387,-1.3297,-4.167;4.6058,-8.1549,-1.3101;3.3867,-10.0041,-3.0449;4.5955,-.6864,-4.5476;2.9921,-4.5882,-6.2687;6.6483,-2.7178,-3.3278;4.5313,-2.6868,-.0579;2.3274,-4.1007,-6.7949;3.7689,-5.9385,.0068;3.3206,.4532,-2.1808;5.2688,-6.5112,-1.6048;5.9318,-2.5288,-1.4498;2.9302,-.7692,-3.3877;.8368,-3.442,-5.4143;1.9357,-7.1458,-3.9026;1.9766,-3.1911,-1.473;3.1116,-6.739,-.0058;3.2562,-5.1886,-.432;3.7609,-3.1504,-.4872;1.2737,-5.3695,-1.6451;5.7996,-6.0654,-3.9321;-.0826,-5.7804,-5.3816;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">81</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">81</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55379868</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00209064</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00033573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00209064</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00033573</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00671918</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00213861</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.483768"
                                 y3="-2.780785"
                                 z3="-4.447876"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.108718"
                                 y3="-2.913811"
                                 z3="-3.966158"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.302419"
                                 y3="-4.951868"
                                 z3="-5.927472"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.349575"
                                 y3="-2.262786"
                                 z3="-6.636069"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.89074"
                                 y3="-5.072039"
                                 z3="-4.207424"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.900816"
                                 y3="-7.655423"
                                 z3="-5.295576"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.730794"
                                 y3="-6.221849"
                                 z3="-1.738737"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.234783"
                                 y3="-7.154166"
                                 z3="-4.534693"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.984482"
                                 y3="-8.582928"
                                 z3="-2.777399"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.438096"
                                 y3="-6.166398"
                                 z3="-2.806971"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.766346"
                                 y3="-4.495045"
                                 z3="-4.610211"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.348569"
                                 y3="-4.105705"
                                 z3="-1.420226"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.607282"
                                 y3="-10.559741"
                                 z3="-2.271913"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.137365"
                                 y3="-10.488474"
                                 z3="-0.681363"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.002294"
                                 y3="0.051907"
                                 z3="-4.648297"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.054264"
                                 y3="-4.57026"
                                 z3="-1.971727"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.271484"
                                 y3="-3.258546"
                                 z3="-0.564881"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.48731"
                                 y3="-4.228056"
                                 z3="-3.381937"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.623201"
                                 y3="-6.433586"
                                 z3="-0.483676"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.646909"
                                 y3="-9.554929"
                                 z3="-0.761106"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.130792"
                                 y3="-7.927145"
                                 z3="-0.060841"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.200293"
                                 y3="-6.863256"
                                 z3="-1.133451"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.056645"
                                 y3="-2.438429"
                                 z3="-2.675033"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.650694"
                                 y3="-10.27618"
                                 z3="0.515183"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.112649"
                                 y3="-3.395234"
                                 z3="-3.812832"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.24648"
                                 y3="-0.800134"
                                 z3="-1.338979"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.414684"
                                 y3="-1.503474"
                                 z3="-2.276942"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.187534"
                                 y3="-6.753922"
                                 z3="-3.330416"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.832314"
                                 y3="-2.068652"
                                 z3="-2.876496"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.239993"
                                 y3="-1.331163"
                                 z3="-4.166539"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.606319"
                                 y3="-8.154273"
                                 z3="-1.309954"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.390054"
                                 y3="-9.998927"
                                 z3="-3.047377"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.598446"
                                 y3="-0.685705"
                                 z3="-4.546218"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.990292"
                                 y3="-4.594256"
                                 z3="-6.267957"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.648138"
                                 y3="-2.718955"
                                 z3="-3.326258"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.529628"
                                 y3="-2.686781"
                                 z3="-0.057083"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.327266"
                                 y3="-4.106143"
                                 z3="-6.795577"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.769762"
                                 y3="-5.940513"
                                 z3="0.007755"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.319139"
                                 y3="0.452871"
                                 z3="-2.181368"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.269419"
                                 y3="-6.510393"
                                 z3="-1.604608"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.93038"
                                 y3="-2.528705"
                                 z3="-1.448767"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.930972"
                                 y3="-0.769746"
                                 z3="-3.389094"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.837643"
                                 y3="-3.441022"
                                 z3="-5.41714"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.932891"
                                 y3="-7.145339"
                                 z3="-3.902576"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.97644"
                                 y3="-3.189817"
                                 z3="-1.47366"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.113978"
                                 y3="-6.742837"
                                 z3="-0.006375"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.256348"
                                 y3="-5.190744"
                                 z3="-0.42956"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.758385"
                                 y3="-3.150046"
                                 z3="-0.486084"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.272667"
                                 y3="-5.369913"
                                 z3="-1.641106"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.800029"
                                 y3="-6.06413"
                                 z3="-3.930713"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.085493"
                                 y3="-5.77716"
                                 z3="-5.37963"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4838,-2.7808,-4.4479;-.1087,-2.9138,-3.9662;-.3024,-4.9519,-5.9275;.3496,-2.2628,-6.6361;1.8907,-5.072,-4.2074;2.9008,-7.6554,-5.2956;.7308,-6.2218,-1.7387;.2348,-7.1542,-4.5347;1.9845,-8.5829,-2.7774;3.4381,-6.1664,-2.807;4.7663,-4.495,-4.6102;2.3486,-4.1057,-1.4202;3.6073,-10.5597,-2.2719;1.1374,-10.4885,-.6814;2.0023,.0519,-4.6483;5.0543,-4.5703,-1.9717;7.2715,-3.2585,-.5649;3.4873,-4.2281,-3.3819;6.6232,-6.4336,-.4837;2.6469,-9.5549,-.7611;2.1308,-7.9271,-.0608;1.2003,-6.8633,-1.1335;4.0566,-2.4384,-2.675;3.6507,-10.2762,.5152;6.1126,-3.3952,-3.8128;6.2465,-.8001,-1.339;1.4147,-1.5035,-2.2769;6.1875,-6.7539,-3.3304;.8323,-2.0687,-2.8765;5.24,-1.3312,-4.1665;4.6063,-8.1543,-1.31;3.3901,-9.9989,-3.0474;4.5984,-.6857,-4.5462;2.9903,-4.5943,-6.268;6.6481,-2.719,-3.3263;4.5296,-2.6868,-.0571;2.3273,-4.1061,-6.7956;3.7698,-5.9405,.0078;3.3191,.4529,-2.1814;5.2694,-6.5104,-1.6046;5.9304,-2.5287,-1.4488;2.931,-.7697,-3.3891;.8376,-3.441,-5.4171;1.9329,-7.1453,-3.9026;1.9764,-3.1898,-1.4737;3.114,-6.7428,-.0064;3.2563,-5.1907,-.4296;3.7584,-3.15,-.4861;1.2727,-5.3699,-1.6411;5.8,-6.0641,-3.9307;-.0855,-5.7772,-5.3796;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">82</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">82</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55386143</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00126357</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00025238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00126357</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00025238</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00640400</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00175206</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.485493"
                                 y3="-2.780712"
                                 z3="-4.448969"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.108811"
                                 y3="-2.91089"
                                 z3="-3.970337"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.302691"
                                 y3="-4.949888"
                                 z3="-5.928926"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.353816"
                                 y3="-2.263031"
                                 z3="-6.640524"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.888759"
                                 y3="-5.070877"
                                 z3="-4.205388"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.897074"
                                 y3="-7.654069"
                                 z3="-5.295978"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.730277"
                                 y3="-6.221347"
                                 z3="-1.73547"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.231963"
                                 y3="-7.151445"
                                 z3="-4.531138"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.981795"
                                 y3="-8.583339"
                                 z3="-2.777355"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.436662"
                                 y3="-6.166355"
                                 z3="-2.806565"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.766119"
                                 y3="-4.496283"
                                 z3="-4.60871"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.348626"
                                 y3="-4.104435"
                                 z3="-1.418528"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.607837"
                                 y3="-10.558203"
                                 z3="-2.274696"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.14145"
                                 y3="-10.491336"
                                 z3="-0.679011"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.004124"
                                 y3="0.051715"
                                 z3="-4.650306"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.053168"
                                 y3="-4.570817"
                                 z3="-1.970334"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.269765"
                                 y3="-3.259151"
                                 z3="-0.564072"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.486497"
                                 y3="-4.228559"
                                 z3="-3.381147"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.624828"
                                 y3="-6.433482"
                                 z3="-0.485914"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.649604"
                                 y3="-9.555648"
                                 z3="-0.761421"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.132248"
                                 y3="-7.928253"
                                 z3="-0.061284"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.200571"
                                 y3="-6.862966"
                                 z3="-1.13107"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.056208"
                                 y3="-2.438548"
                                 z3="-2.674591"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.655752"
                                 y3="-10.275888"
                                 z3="0.513466"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.11245"
                                 y3="-3.395184"
                                 z3="-3.811707"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.24619"
                                 y3="-0.79985"
                                 z3="-1.337473"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.414004"
                                 y3="-1.502718"
                                 z3="-2.279303"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.187496"
                                 y3="-6.753099"
                                 z3="-3.331568"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.831632"
                                 y3="-2.06716"
                                 z3="-2.87949"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.241634"
                                 y3="-1.330615"
                                 z3="-4.164561"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.607548"
                                 y3="-8.154402"
                                 z3="-1.310849"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.389191"
                                 y3="-9.996774"
                                 z3="-3.049384"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.600403"
                                 y3="-0.68524"
                                 z3="-4.545016"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.989171"
                                 y3="-4.60066"
                                 z3="-6.267233"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.647343"
                                 y3="-2.718841"
                                 z3="-3.324583"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.527719"
                                 y3="-2.68681"
                                 z3="-0.056508"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.328334"
                                 y3="-4.110849"
                                 z3="-6.795994"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.771068"
                                 y3="-5.942549"
                                 z3="0.008431"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.317854"
                                 y3="0.453447"
                                 z3="-2.181807"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.270063"
                                 y3="-6.510125"
                                 z3="-1.605529"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.928855"
                                 y3="-2.528243"
                                 z3="-1.447445"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.931406"
                                 y3="-0.769493"
                                 z3="-3.389875"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.839129"
                                 y3="-3.440091"
                                 z3="-5.419377"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.930911"
                                 y3="-7.144885"
                                 z3="-3.901498"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.97535"
                                 y3="-3.189225"
                                 z3="-1.473955"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.11609"
                                 y3="-6.745672"
                                 z3="-0.006506"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.25702"
                                 y3="-5.192914"
                                 z3="-0.427587"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.756226"
                                 y3="-3.149881"
                                 z3="-0.485775"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.272399"
                                 y3="-5.369489"
                                 z3="-1.638271"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.797885"
                                 y3="-6.064766"
                                 z3="-3.932335"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.086782"
                                 y3="-5.774715"
                                 z3="-5.37994"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4855,-2.7807,-4.449;-.1088,-2.9109,-3.9703;-.3027,-4.9499,-5.9289;.3538,-2.263,-6.6405;1.8888,-5.0709,-4.2054;2.8971,-7.6541,-5.296;.7303,-6.2213,-1.7355;.232,-7.1514,-4.5311;1.9818,-8.5833,-2.7774;3.4367,-6.1664,-2.8066;4.7661,-4.4963,-4.6087;2.3486,-4.1044,-1.4185;3.6078,-10.5582,-2.2747;1.1415,-10.4913,-.679;2.0041,.0517,-4.6503;5.0532,-4.5708,-1.9703;7.2698,-3.2592,-.5641;3.4865,-4.2286,-3.3811;6.6248,-6.4335,-.4859;2.6496,-9.5556,-.7614;2.1322,-7.9283,-.0613;1.2006,-6.863,-1.1311;4.0562,-2.4385,-2.6746;3.6558,-10.2759,.5135;6.1124,-3.3952,-3.8117;6.2462,-.7998,-1.3375;1.414,-1.5027,-2.2793;6.1875,-6.7531,-3.3316;.8316,-2.0672,-2.8795;5.2416,-1.3306,-4.1646;4.6075,-8.1544,-1.3108;3.3892,-9.9968,-3.0494;4.6004,-.6852,-4.545;2.9892,-4.6007,-6.2672;6.6473,-2.7188,-3.3246;4.5277,-2.6868,-.0565;2.3283,-4.1108,-6.796;3.7711,-5.9425,.0084;3.3179,.4534,-2.1818;5.2701,-6.5101,-1.6055;5.9289,-2.5282,-1.4474;2.9314,-.7695,-3.3899;.8391,-3.4401,-5.4194;1.9309,-7.1449,-3.9015;1.9753,-3.1892,-1.474;3.1161,-6.7457,-.0065;3.257,-5.1929,-.4276;3.7562,-3.1499,-.4858;1.2724,-5.3695,-1.6383;5.7979,-6.0648,-3.9323;-.0868,-5.7747,-5.3799;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">83</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">83</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55386681</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00078543</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00023106</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00078543</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00023106</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01538624</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00362844</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.488606"
                                 y3="-2.780344"
                                 z3="-4.451543"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.108249"
                                 y3="-2.905236"
                                 z3="-3.977126"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.303171"
                                 y3="-4.947697"
                                 z3="-5.929612"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.361967"
                                 y3="-2.263889"
                                 z3="-6.647495"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.885438"
                                 y3="-5.06881"
                                 z3="-4.202796"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.891884"
                                 y3="-7.652424"
                                 z3="-5.294959"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.729712"
                                 y3="-6.219805"
                                 z3="-1.729659"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.228035"
                                 y3="-7.147576"
                                 z3="-4.526834"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.97729"
                                 y3="-8.583676"
                                 z3="-2.776363"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.433469"
                                 y3="-6.165963"
                                 z3="-2.80521"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.765563"
                                 y3="-4.499299"
                                 z3="-4.605244"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.348615"
                                 y3="-4.102155"
                                 z3="-1.416012"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.606849"
                                 y3="-10.556824"
                                 z3="-2.280038"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.148471"
                                 y3="-10.495632"
                                 z3="-0.674308"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.008297"
                                 y3="0.051956"
                                 z3="-4.654646"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.051211"
                                 y3="-4.571626"
                                 z3="-1.968002"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.263963"
                                 y3="-3.259711"
                                 z3="-0.559344"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.484654"
                                 y3="-4.228925"
                                 z3="-3.379593"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.629234"
                                 y3="-6.435532"
                                 z3="-0.49234"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.654446"
                                 y3="-9.556719"
                                 z3="-0.762396"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.135862"
                                 y3="-7.930095"
                                 z3="-0.061261"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.200926"
                                 y3="-6.861973"
                                 z3="-1.126673"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.054891"
                                 y3="-2.438595"
                                 z3="-2.673336"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.665963"
                                 y3="-10.275244"
                                 z3="0.509101"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.112399"
                                 y3="-3.393894"
                                 z3="-3.807471"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.243247"
                                 y3="-0.798824"
                                 z3="-1.331628"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.414057"
                                 y3="-1.500407"
                                 z3="-2.283885"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.185322"
                                 y3="-6.748626"
                                 z3="-3.336918"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.831681"
                                 y3="-2.063978"
                                 z3="-2.884856"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.245668"
                                 y3="-1.331072"
                                 z3="-4.161611"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.61005"
                                 y3="-8.155247"
                                 z3="-1.315959"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.38359"
                                 y3="-9.995662"
                                 z3="-3.053674"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.604568"
                                 y3="-0.686904"
                                 z3="-4.544658"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.985205"
                                 y3="-4.616046"
                                 z3="-6.266711"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.645612"
                                 y3="-2.716871"
                                 z3="-3.319648"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.521163"
                                 y3="-2.686564"
                                 z3="-0.055457"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.330149"
                                 y3="-4.119657"
                                 z3="-6.796529"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.775284"
                                 y3="-5.946525"
                                 z3="0.010227"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.318761"
                                 y3="0.455582"
                                 z3="-2.18483"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.271852"
                                 y3="-6.510042"
                                 z3="-1.608784"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.924476"
                                 y3="-2.526825"
                                 z3="-1.44342"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.933549"
                                 y3="-0.768386"
                                 z3="-3.392321"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.842105"
                                 y3="-3.439262"
                                 z3="-5.422666"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.927531"
                                 y3="-7.144091"
                                 z3="-3.898999"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.973205"
                                 y3="-3.1880"
                                 z3="-1.474682"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.120694"
                                 y3="-6.750345"
                                 z3="-0.005702"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.260907"
                                 y3="-5.196765"
                                 z3="-0.423546"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.750279"
                                 y3="-3.150435"
                                 z3="-0.485796"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.272646"
                                 y3="-5.368327"
                                 z3="-1.633325"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.792682"
                                 y3="-6.060091"
                                 z3="-3.935943"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.088887"
                                 y3="-5.771551"
                                 z3="-5.378927"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4886,-2.7803,-4.4515;-.1082,-2.9052,-3.9771;-.3032,-4.9477,-5.9296;.362,-2.2639,-6.6475;1.8854,-5.0688,-4.2028;2.8919,-7.6524,-5.295;.7297,-6.2198,-1.7297;.228,-7.1476,-4.5268;1.9773,-8.5837,-2.7764;3.4335,-6.166,-2.8052;4.7656,-4.4993,-4.6052;2.3486,-4.1022,-1.416;3.6068,-10.5568,-2.28;1.1485,-10.4956,-.6743;2.0083,.052,-4.6546;5.0512,-4.5716,-1.968;7.264,-3.2597,-.5593;3.4847,-4.2289,-3.3796;6.6292,-6.4355,-.4923;2.6544,-9.5567,-.7624;2.1359,-7.9301,-.0613;1.2009,-6.862,-1.1267;4.0549,-2.4386,-2.6733;3.666,-10.2752,.5091;6.1124,-3.3939,-3.8075;6.2432,-.7988,-1.3316;1.4141,-1.5004,-2.2839;6.1853,-6.7486,-3.3369;.8317,-2.064,-2.8849;5.2457,-1.3311,-4.1616;4.6101,-8.1552,-1.316;3.3836,-9.9957,-3.0537;4.6046,-.6869,-4.5447;2.9852,-4.616,-6.2667;6.6456,-2.7169,-3.3196;4.5212,-2.6866,-.0555;2.3301,-4.1197,-6.7965;3.7753,-5.9465,.0102;3.3188,.4556,-2.1848;5.2719,-6.51,-1.6088;5.9245,-2.5268,-1.4434;2.9335,-.7684,-3.3923;.8421,-3.4393,-5.4227;1.9275,-7.1441,-3.899;1.9732,-3.188,-1.4747;3.1207,-6.7503,-.0057;3.2609,-5.1968,-.4235;3.7503,-3.1504,-.4858;1.2726,-5.3683,-1.6333;5.7927,-6.0601,-3.9359;-.0889,-5.7716,-5.3789;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">84</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">84</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55389712</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00068051</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00021335</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00068051</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00021335</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01151821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00307712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="2.490384"
                                 y3="-2.779743"
                                 z3="-4.453189"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.109244"
                                 y3="-2.901258"
                                 z3="-3.981995"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-0.303151"
                                 y3="-4.94635"
                                 z3="-5.930635"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.368152"
                                 y3="-2.263913"
                                 z3="-6.651897"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="1.882039"
                                 y3="-5.06698"
                                 z3="-4.200248"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="2.889142"
                                 y3="-7.650149"
                                 z3="-5.294344"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="0.72915"
                                 y3="-6.218419"
                                 z3="-1.724684"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="0.225699"
                                 y3="-7.145239"
                                 z3="-4.524207"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="1.973988"
                                 y3="-8.584241"
                                 z3="-2.776396"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="3.430636"
                                 y3="-6.165989"
                                 z3="-2.804013"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="4.7633"
                                 y3="-4.502085"
                                 z3="-4.603407"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.349125"
                                 y3="-4.099626"
                                 z3="-1.41419"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.606496"
                                 y3="-10.55558"
                                 z3="-2.283353"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="1.154658"
                                 y3="-10.498472"
                                 z3="-0.670651"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="2.01153"
                                 y3="0.052348"
                                 z3="-4.65796"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="5.049384"
                                 y3="-4.572693"
                                 z3="-1.966621"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="7.25737"
                                 y3="-3.260875"
                                 z3="-0.553971"/>
                           <atom elementType="Mo"
                                 id="a18"
                                 x3="3.482724"
                                 y3="-4.22917"
                                 z3="-3.378273"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="6.633955"
                                 y3="-6.438264"
                                 z3="-0.499068"/>
                           <atom elementType="Mo"
                                 id="a20"
                                 x3="2.658926"
                                 y3="-9.556952"
                                 z3="-0.762983"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="2.138621"
                                 y3="-7.930823"
                                 z3="-0.061479"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.201495"
                                 y3="-6.860751"
                                 z3="-1.122775"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="4.054255"
                                 y3="-2.438587"
                                 z3="-2.67289"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="3.674334"
                                 y3="-10.273635"
                                 z3="0.506362"/>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.113106"
                                 y3="-3.39322"
                                 z3="-3.802884"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="6.240326"
                                 y3="-0.798084"
                                 z3="-1.325238"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.414958"
                                 y3="-1.498406"
                                 z3="-2.286791"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="6.183261"
                                 y3="-6.7450"
                                 z3="-3.342022"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.832554"
                                 y3="-2.061104"
                                 z3="-2.888378"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.249124"
                                 y3="-1.331426"
                                 z3="-4.160355"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="4.611793"
                                 y3="-8.155984"
                                 z3="-1.320249"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="3.378067"
                                 y3="-9.995808"
                                 z3="-3.056523"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="4.607786"
                                 y3="-0.688973"
                                 z3="-4.54611"/>
                           <atom elementType="H"
                                 id="a34"
                                 x3="2.982094"
                                 y3="-4.627564"
                                 z3="-6.26502"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="6.644556"
                                 y3="-2.715482"
                                 z3="-3.314536"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="4.513981"
                                 y3="-2.686173"
                                 z3="-0.055339"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="2.332011"
                                 y3="-4.125419"
                                 z3="-6.795664"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="3.779521"
                                 y3="-5.949643"
                                 z3="0.012211"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="3.321436"
                                 y3="0.457413"
                                 z3="-2.188196"/>
                           <atom elementType="Mo"
                                 id="a40"
                                 x3="5.273589"
                                 y3="-6.510125"
                                 z3="-1.611736"/>
                           <atom elementType="Mo"
                                 id="a41"
                                 x3="5.920052"
                                 y3="-2.525634"
                                 z3="-1.439531"/>
                           <atom elementType="Mo"
                                 id="a42"
                                 x3="2.935869"
                                 y3="-0.767296"
                                 z3="-3.394762"/>
                           <atom elementType="Mo"
                                 id="a43"
                                 x3="0.843629"
                                 y3="-3.438489"
                                 z3="-5.424569"/>
                           <atom elementType="Mo"
                                 id="a44"
                                 x3="1.925562"
                                 y3="-7.143517"
                                 z3="-3.897221"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.971324"
                                 y3="-3.186456"
                                 z3="-1.476177"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="3.124983"
                                 y3="-6.753876"
                                 z3="-0.004578"/>
                           <atom elementType="H"
                                 id="a47"
                                 x3="3.265123"
                                 y3="-5.199653"
                                 z3="-0.41984"/>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.744145"
                                 y3="-3.15155"
                                 z3="-0.486969"/>
                           <atom elementType="H"
                                 id="a49"
                                 x3="1.272865"
                                 y3="-5.367528"
                                 z3="-1.629576"/>
                           <atom elementType="H"
                                 id="a50"
                                 x3="5.786398"
                                 y3="-6.057881"
                                 z3="-3.9403"/>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.089361"
                                 y3="-5.770285"
                                 z3="-5.380188"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a43" order="S"/>
                           <bond atomRefs2="a1 a18" order="S"/>
                           <bond atomRefs2="a2 a43" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a51" order="S"/>
                           <bond atomRefs2="a4 a43" order="S"/>
                           <bond atomRefs2="a5 a44" order="S"/>
                           <bond atomRefs2="a5 a43" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a6 a44" order="S"/>
                           <bond atomRefs2="a7 a49" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a8 a44" order="S"/>
                           <bond atomRefs2="a9 a44" order="S"/>
                           <bond atomRefs2="a10 a40" order="S"/>
                           <bond atomRefs2="a10 a18" order="S"/>
                           <bond atomRefs2="a10 a44" order="S"/>
                           <bond atomRefs2="a11 a18" order="S"/>
                           <bond atomRefs2="a12 a45" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a20" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a15 a42" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a41" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a17 a41" order="S"/>
                           <bond atomRefs2="a18 a23" order="S"/>
                           <bond atomRefs2="a19 a40" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a23 a41" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a26 a41" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a27 a42" order="S"/>
                           <bond atomRefs2="a28 a40" order="S"/>
                           <bond atomRefs2="a28 a50" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a40" order="S"/>
                           <bond atomRefs2="a33 a42" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a35 a41" order="S"/>
                           <bond atomRefs2="a36 a41" order="S"/>
                           <bond atomRefs2="a36 a48" order="S"/>
                           <bond atomRefs2="a37 a43" order="S"/>
                           <bond atomRefs2="a38 a46" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                        </bondArray>
                        <formula concise="H13Mo7O31"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1167.5614000000005</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4904,-2.7797,-4.4532;-.1092,-2.9013,-3.982;-.3032,-4.9463,-5.9306;.3682,-2.2639,-6.6519;1.882,-5.067,-4.2002;2.8891,-7.6501,-5.2943;.7291,-6.2184,-1.7247;.2257,-7.1452,-4.5242;1.974,-8.5842,-2.7764;3.4306,-6.166,-2.804;4.7633,-4.5021,-4.6034;2.3491,-4.0996,-1.4142;3.6065,-10.5556,-2.2834;1.1547,-10.4985,-.6707;2.0115,.0523,-4.658;5.0494,-4.5727,-1.9666;7.2574,-3.2609,-.554;3.4827,-4.2292,-3.3783;6.634,-6.4383,-.4991;2.6589,-9.557,-.763;2.1386,-7.9308,-.0615;1.2015,-6.8608,-1.1228;4.0543,-2.4386,-2.6729;3.6743,-10.2736,.5064;6.1131,-3.3932,-3.8029;6.2403,-.7981,-1.3252;1.415,-1.4984,-2.2868;6.1833,-6.745,-3.342;.8326,-2.0611,-2.8884;5.2491,-1.3314,-4.1604;4.6118,-8.156,-1.3202;3.3781,-9.9958,-3.0565;4.6078,-.689,-4.5461;2.9821,-4.6276,-6.265;6.6446,-2.7155,-3.3145;4.514,-2.6862,-.0553;2.332,-4.1254,-6.7957;3.7795,-5.9496,.0122;3.3214,.4574,-2.1882;5.2736,-6.5101,-1.6117;5.9201,-2.5256,-1.4395;2.9359,-.7673,-3.3948;.8436,-3.4385,-5.4246;1.9256,-7.1435,-3.8972;1.9713,-3.1865,-1.4762;3.125,-6.7539,-.0046;3.2651,-5.1997,-.4198;3.7441,-3.1515,-.487;1.2729,-5.3675,-1.6296;5.7864,-6.0579,-3.9403;-.0894,-5.7703,-5.3802;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">85</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">85</scalar>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.55389690</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00074951</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00020101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00074951</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00020101</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00368604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00128270</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="adf">
                  <module cmlx:templateRef="adf.runtype">
                     <module cmlx:templateRef="symmetry">
                        <scalar dataType="xsd:string" dictRef="a:symmetry">NOSYM</scalar>
                        <scalar dataType="xsd:integer" dictRef="a:charge">-7</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="51">O O O O O O O O O O O O O O O O O Mo O Mo O H O O H O O O H H O H O H O O O O O Mo Mo Mo Mo Mo H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="51">15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 97.90540600 15.99491400 97.90540600 15.99491400 1.00782500 15.99491400 15.99491400 1.00782500 15.99491400 15.99491400 15.99491400 1.00782500 1.00782500 15.99491400 1.00782500 15.99491400 1.00782500 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 97.90540600 97.90540600 97.90540600 97.90540600 97.90540600 1.00782500 1.00782500 1.00782500 1.00782500 1.00782500 1.00782500 1.00782500</array>
                     </module>
                     <module cmlx:templateRef="thermochemistry">
                        <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                        <array dataType="xsd:double" dictRef="cc:moi" size="3">25084.0050 42307.4252 58407.0031</array>
                        <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:pointgroup">NOSYM</scalar>
                        <module cmlx:templateRef="energies">
                           <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                           <list cmlx:templateRef="entropy">
                              <scalar dataType="xsd:double"
                                      dictRef="cc:transl"
                                      units="nonsi2:cal.mol-1.K-1">47.111</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">39.358</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">164.304</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">250.773</scalar>
                           </list>
                           <list cmlx:templateRef="internalEnergy">
                              <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi2:kcal.mol-1">0.889</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi2:kcal.mol-1">0.889</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi2:kcal.mol-1">169.914</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">171.691</scalar>
                           </list>
                           <list cmlx:templateRef="heat">
                              <scalar dataType="xsd:double"
                                      dictRef="cc:transl"
                                      units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">164.360</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">170.321</scalar>
                           </list>
                        </module>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">6.204513</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="147">-177.891 -146.220 -130.865 -103.361 -91.058 -82.346 -77.309 -51.734 -48.508 -23.087 30.274 54.853 66.018 68.720 72.360 83.115 89.293 97.396 100.004 106.932 111.442 116.805 123.411 127.479 141.121 145.416 152.517 160.267 164.157 170.697 176.169 181.212 186.371 190.403 195.743 199.629 201.789 206.894 211.810 215.669 221.551 225.251 229.471 233.191 233.831 237.015 243.614 247.679 249.355 253.248 259.283 264.979 268.199 273.382 276.547 279.546 283.001 287.673 291.431 297.803 303.699 306.391 310.360 316.681 319.853 324.376 327.789 330.138 332.855 339.034 341.900 350.226 360.765 369.884 370.466 381.806 387.466 394.648 413.471 425.194 446.328 469.595 481.396 488.001 489.283 500.423 512.177 517.783 522.690 536.965 559.158 565.898 580.639 592.947 600.400 613.671 635.403 644.298 651.454 679.375 714.799 719.267 731.475 748.650 753.830 761.099 761.350 776.386 778.922 784.632 807.025 818.651 825.170 835.619 843.322 849.009 856.535 860.864 885.766 887.773 896.160 902.149 908.944 921.057 942.047 956.646 970.610 985.605 1029.702 1055.631 1059.543 1078.767 1597.402 1676.284 2521.842 2907.376 2923.964 3010.879 3076.785 3209.620 3249.669 3338.270 3380.843 3396.856 3473.325 3579.768 3636.751</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="51">O O O O O O O O O O O O O O O O O Mo O Mo O H O O H O O O H H O H O H O O O O O Mo Mo Mo Mo Mo H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="22491">-0.001 0.050 -0.041 -0.034 -0.026 -0.087 0.025 -0.032 -0.057 0.040 -0.022 -0.068 0.004 0.008 -0.031 0.005 -0.023 0.008 -0.003 0.017 -0.026 0.003 -0.006 -0.010 -0.005 -0.001 0.007 -0.004 -0.002 -0.014 -0.017 -0.024 -0.042 -0.005 0.012 -0.035 -0.007 -0.011 0.068 -0.011 0.023 0.042 0.038 0.293 0.251 -0.004 -0.003 -0.032 0.033 0.054 -0.081 0.000 -0.006 -0.030 -0.023 0.037 0.022 -0.013 0.026 0.035 -0.012 0.049 -0.004 -0.007 0.024 -0.014 0.019 -0.040 -0.044 -0.028 0.081 0.077 -0.075 -0.017 -0.080 0.015 0.010 -0.106 -0.061 -0.092 -0.043 0.014 -0.015 0.018 -0.039 -0.065 -0.083 -0.008 0.089 0.002 -0.002 0.013 0.016 0.014 -0.025 0.051 -0.031 0.110 0.071 0.022 -0.061 -0.019 -0.047 -0.028 -0.094 0.036 0.046 -0.057 0.044 -0.045 -0.031 -0.010 0.042 -0.015 -0.012 -0.498 0.617 -0.005 0.011 0.002 0.006 0.014 -0.070 0.002 -0.012 0.075 0.016 -0.020 -0.053 0.000 -0.009 -0.000 -0.017 0.009 -0.060 -0.012 0.043 -0.008 -0.009 0.037 -0.030 0.023 0.050 -0.038 -0.000 0.018 -0.029 0.021 -0.029 -0.000 0.014 -0.024 -0.041 -0.009 -0.007 0.002 0.002 -0.001 0.040 -0.022 0.023 0.021 -0.028 0.028 0.037 0.007 -0.012 0.023 -0.019 0.011 -0.022 0.006 -0.014 -0.010 -0.013 0.002 -0.003 -0.012 -0.002 -0.018 0.061 -0.033 -0.011 -0.001 0.019 -0.011 0.013 -0.034 0.010 -0.006 0.024 -0.095 -0.003 -0.032 -0.071 -0.002 -0.024 -0.003 0.018 -0.001 -0.013 0.205 0.215 -0.175 0.014 -0.010 -0.004 -0.207 0.182 0.302 -0.004 -0.030 -0.050 -0.039 -0.076 -0.003 -0.011 -0.024 -0.010 -0.028 -0.006 0.011 0.007 -0.108 -0.104 -0.127 -0.030 -0.091 -0.133 0.059 -0.111 0.023 -0.004 0.031 0.300 -0.124 0.317 0.019 -0.009 0.039 0.004 -0.025 -0.013 -0.021 -0.011 0.055 -0.039 0.038 -0.075 0.001 -0.018 -0.000 -0.025 0.021 -0.002 -0.082 -0.042 -0.117 0.142 -0.073 0.007 -0.041 0.013 0.010 -0.123 0.019 0.037 0.008 0.039 -0.043 -0.029 0.002 0.090 0.035 0.019 -0.066 0.007 -0.004 0.006 -0.014 0.020 0.021 -0.011 0.003 -0.012 0.043 -0.021 0.041 -0.085 0.002 0.021 -0.131 0.002 0.003 0.130 -0.075 0.037 0.006 -0.015 0.002 0.381 -0.224 0.169 -0.018 0.018 0.009 0.030 -0.021 0.010 0.022 -0.005 -0.020 0.035 0.004 -0.024 0.063 -0.001 -0.010 0.005 -0.002 0.002 0.011 -0.019 0.024 -0.018 0.000 0.002 0.002 0.006 -0.016 -0.029 -0.004 0.006 -0.033 0.009 0.025 0.024 -0.008 0.047 0.022 -0.025 0.034 -0.050 -0.029 0.029 -0.060 0.004 0.017 0.046 -0.062 -0.029 0.051 -0.015 0.035 0.289 0.444 -0.159 -0.001 -0.014 0.034 0.127 -0.141 -0.184 -0.048 -0.012 0.016 -0.020 0.011 0.002 -0.021 -0.003 0.003 -0.022 -0.016 0.045 -0.051 0.001 0.024 -0.040 0.066 0.011 -0.443 0.187 -0.028 0.016 -0.026 0.017 -0.211 0.015 -0.185 0.027 -0.029 0.014 0.073 0.030 0.072 -0.033 -0.023 -0.026 -0.032 -0.029 0.024 0.055 0.010 0.064 0.047 -0.016 0.014 -0.023 0.056 0.009 0.103 -0.201 0.086 0.056 -0.018 0.002 0.057 -0.062 -0.012 -0.044 0.016 -0.009 0.004 -0.037 -0.042 -0.009 0.084 0.011 0.024 -0.021 0.015 0.039 -0.007 -0.005 -0.007 -0.006 0.006 0.060 -0.007 0.055 0.035 -0.051 -0.006 0.054 -0.053 0.011 0.102 -0.197 0.082 -0.012 -0.007 0.011 -0.226 0.107 -0.081 0.021 0.002 -0.021 0.012 0.022 0.012 0.018 0.030 0.051 -0.028 0.035 0.042 -0.032 0.030 0.034 0.002 0.040 -0.005 -0.061 0.209 -0.203 0.032 -0.040 -0.098 -0.013 0.026 0.002 0.115 -0.090 -0.202 0.016 -0.030 -0.068 0.031 0.024 0.005 0.051 -0.031 -0.002 0.141 -0.108 0.213 0.097 -0.020 -0.063 -0.096 -0.003 0.036 0.065 -0.110 0.007 0.010 -0.002 -0.018 0.017 -0.007 -0.014 -0.003 -0.181 -0.026 0.057 0.055 0.038 -0.152 0.058 -0.121 0.011 -0.037 -0.062 0.055 -0.039 0.013 -0.099 0.352 0.335 0.014 0.024 -0.004 -0.008 0.011 0.036 0.072 -0.093 0.091 0.062 -0.156 0.083 0.043 -0.060 0.083 -0.047 0.000 -0.015 -0.200 -0.062 0.015 0.287 -0.143 0.144 -0.046 0.006 -0.006 -0.092 -0.030 -0.020 0.023 0.010 0.010 0.026 -0.044 0.001 -0.051 0.046 0.002 -0.045 -0.013 0.008 -0.024 0.029 -0.050 -0.043 -0.069 0.014 0.007 0.014 -0.006 -0.033 -0.004 -0.011 -0.018 0.028 0.027 0.015 0.002 -0.071 0.067 -0.021 0.001 -0.077 0.020 -0.021 -0.015 0.011 0.001 0.025 -0.038 -0.004 0.025 -0.043 -0.078 0.088 -0.197 0.031 -0.020 0.027 0.034 0.026 0.008 -0.027 0.024 0.010 0.010 -0.032 0.009 0.012 -0.029 -0.008 -0.015 0.029 0.009 -0.030 0.014 -0.161 0.127 0.003 0.114 0.072 -0.000 0.064 -0.016 -0.143 0.113 0.127 0.013 -0.009 -0.031 0.023 -0.046 -0.060 0.099 0.029 -0.022 -0.087 0.107 -0.163 0.044 0.094 -0.020 -0.146 0.043 0.073 0.114 -0.113 -0.038 -0.057 0.016 0.082 0.064 -0.010 -0.051 0.037 -0.209 -0.047 0.044 0.092 -0.036 0.076 0.048 0.115 0.001 0.097 0.047 0.136 -0.047 -0.069 0.070 -0.125 -0.179 0.228 0.084 0.087 -0.075 0.061 0.096 0.097 -0.186 0.084 0.063 -0.208 0.096 0.058 -0.122 0.058 -0.093 0.021 -0.078 -0.198 -0.059 0.024 -0.130 0.139 -0.124 -0.102 0.005 -0.083 -0.031 -0.011 -0.021 0.180 0.074 0.138 -0.079 -0.031 -0.032 -0.040 -0.021 -0.019 0.032 0.028 0.021 -0.042 -0.073 0.026 -0.027 -0.069 0.029 -0.016 0.056 0.038 -0.047 -0.017 -0.039 -0.015 -0.004 -0.015 -0.014 0.028 0.033 0.082 0.027 -0.075 0.014 0.025 0.061 0.041 0.025 0.008 -0.059 -0.050 -0.068 0.055 0.088 0.042 0.099 -0.263 0.023 -0.024 0.005 0.015 -0.015 -0.014 -0.031 0.002 0.003 0.074 -0.102 -0.004 0.095 -0.098 -0.014 0.051 -0.010 -0.032 0.002 -0.096 0.048 -0.090 0.066 -0.027 -0.042 -0.060 -0.065 0.073 0.079 -0.048 -0.029 0.066 -0.014 -0.052 -0.046 -0.054 -0.162 0.032 0.018 -0.051 -0.012 -0.075 0.082 -0.064 -0.013 0.066 0.113 0.080 0.039 0.021 0.065 -0.125 -0.044 0.079 0.108 0.053 -0.018 -0.096 -0.076 0.208 0.091 -0.047 -0.043 0.021 0.012 0.000 -0.042 0.056 -0.015 -0.018 0.077 0.014 -0.097 -0.031 0.027 0.048 0.331 0.119 0.141 -0.207 0.069 0.133 0.038 0.070 -0.049 0.111 0.013 0.009 0.025 0.058 -0.029 0.026 -0.032 -0.097 0.148 0.036 -0.025 -0.007 -0.097 0.063 0.015 -0.083 -0.153 -0.168 -0.103 -0.054 0.238 0.122 0.211 -0.137 -0.126 0.012 -0.154 -0.040 -0.013 0.010 0.020 -0.069 0.165 -0.075 0.055 0.039 0.038 -0.048 -0.054 0.031 0.087 0.086 -0.006 -0.002 -0.056 -0.009 0.037 -0.031 -0.021 -0.015 -0.006 -0.002 -0.068 0.029 0.012 -0.065 -0.008 0.006 -0.071 -0.105 -0.135 -0.055 0.056 -0.018 -0.050 0.124 -0.024 -0.037 -0.087 -0.003 0.078 0.031 0.004 -0.055 0.017 -0.023 0.020 -0.025 0.011 0.010 -0.050 0.008 0.012 -0.002 0.004 0.010 -0.050 0.012 -0.015 0.031 0.021 -0.000 -0.029 0.007 0.033 0.001 0.008 0.010 0.031 -0.004 -0.020 -0.016 -0.034 -0.070 0.049 0.006 -0.014 -0.035 -0.009 0.025 -0.037 0.024 0.043 0.027 -0.237 -0.165 0.020 0.031 -0.058 -0.002 -0.035 0.019 0.026 -0.006 -0.039 -0.025 0.075 0.033 -0.027 0.005 0.015 0.022 0.029 -0.001 0.024 0.020 0.005 0.021 0.012 -0.064 -0.020 0.015 0.014 0.044 0.073 -0.020 0.021 -0.019 0.014 0.045 -0.166 0.077 0.048 0.002 0.007 0.045 -0.138 0.055 0.229 0.356 0.325 0.054 0.013 -0.005 -0.037 -0.015 0.021 0.223 0.387 0.388 -0.030 -0.002 -0.025 0.051 0.038 0.014 -0.014 -0.002 -0.027 -0.049 -0.017 -0.016 0.022 0.028 -0.030 -0.342 0.014 0.029 0.016 0.013 -0.016 0.017 -0.022 0.006 -0.008 -0.047 -0.003 -0.010 0.010 -0.006 -0.021 0.010 0.006 0.042 0.009 -0.044 0.025 0.026 -0.019 0.014 0.023 -0.037 -0.008 -0.015 -0.032 0.041 0.017 -0.005 0.052 -0.016 -0.014 -0.028 0.016 0.014 0.035 -0.007 -0.071 -0.028 0.117 -0.139 -0.053 0.042 0.041 0.271 -0.021 -0.135 -0.079 0.052 0.112 -0.214 0.236 -0.148 0.050 -0.035 0.074 -0.122 0.035 0.169 0.065 -0.017 -0.069 -0.008 -0.002 0.006 -0.028 -0.053 0.010 0.020 -0.003 0.049 0.030 0.013 -0.037 0.026 -0.007 -0.022 -0.070 0.005 0.031 -0.004 0.010 0.011 0.003 0.007 0.021 -0.001 -0.001 0.019 0.010 0.025 0.001 0.037 -0.025 -0.013 0.039 -0.038 0.010 0.060 -0.035 0.069 -0.010 -0.006 -0.013 0.044 -0.075 -0.055 0.021 -0.018 0.026 -0.002 0.002 -0.000 0.011 -0.082 0.004 -0.016 0.011 -0.003 -0.018 -0.012 -0.036 -0.056 -0.019 -0.029 0.031 0.006 0.020 -0.014 0.023 -0.018 -0.052 -0.013 -0.024 -0.215 -0.603 0.046 0.009 -0.006 0.018 -0.010 0.008 -0.003 0.007 -0.362 0.003 0.015 -0.007 0.019 -0.016 0.005 -0.016 0.006 0.009 0.010 0.005 -0.000 0.016 -0.028 0.001 -0.003 0.065 -0.000 -0.033 -0.074 0.050 0.022 -0.005 -0.013 0.023 0.027 -0.013 0.020 0.006 -0.006 0.029 -0.005 -0.010 0.000 0.043 -0.029 0.067 -0.033 0.006 0.000 -0.100 0.059 0.069 -0.028 0.018 0.008 -0.068 -0.022 -0.011 -0.041 -0.024 0.025 -0.037 -0.021 0.001 -0.029 0.012 0.006 -0.069 0.041 -0.037 0.001 -0.027 0.046 -0.052 -0.007 0.064 0.017 -0.001 -0.006 -0.027 0.002 -0.008 -0.019 0.037 0.007 -0.059 0.018 0.015 0.076 0.029 -0.061 0.121 0.006 -0.050 0.312 0.039 -0.190 0.015 -0.062 0.011 -0.024 -0.016 -0.012 -0.021 -0.003 -0.002 0.029 -0.164 -0.048 0.109 0.032 -0.022 0.040 -0.006 0.042 0.021 -0.017 0.041 -0.063 -0.023 0.062 0.105 -0.027 -0.049 -0.034 0.048 0.001 -0.032 0.007 0.055 -0.211 0.366 -0.301 0.009 -0.118 0.067 -0.120 0.198 -0.227 0.232 0.060 0.178 -0.141 -0.040 0.020 0.055 0.030 -0.052 0.229 0.046 0.151 -0.107 -0.108 -0.013 -0.064 0.073 0.000 -0.026 -0.042 0.021 -0.064 -0.035 0.004 -0.007 -0.010 0.035 -0.020 -0.081 0.106 -0.039 -0.045 0.032 -0.033 0.011 0.020 0.077 0.024 -0.040 -0.041 -0.016 0.007 -0.030 0.001 0.007 -0.100 -0.014 0.035 -0.017 -0.018 0.048 -0.006 -0.008 0.055 -0.041 -0.001 0.003 -0.021 -0.013 0.040 0.026 -0.157 0.022 -0.049 -0.016 0.040 -0.032 -0.046 0.053 -0.008 -0.111 0.040 0.076 -0.159 0.012 -0.150 -0.147 0.029 -0.019 -0.040 0.071 -0.079 0.192 -0.173 0.035 -0.020 0.053 -0.033 -0.129 0.171 0.251 -0.024 -0.035 0.033 -0.003 0.035 -0.040 -0.014 -0.012 0.017 0.012 0.039 0.090 -0.052 0.080 -0.182 0.258 -0.223 0.024 -0.040 -0.013 0.025 0.024 0.004 0.008 0.008 0.014 0.006 -0.011 0.041 0.100 -0.013 -0.052 -0.096 0.147 -0.115 0.121 0.194 0.045 0.072 0.032 0.088 -0.003 0.007 0.014 -0.236 -0.148 -0.171 -0.004 -0.040 0.004 0.033 0.002 -0.049 -0.024 -0.008 0.005 -0.015 -0.020 0.007 -0.003 -0.042 0.021 -0.018 -0.045 -0.021 0.037 0.011 0.090 0.161 -0.154 -0.011 -0.027 -0.059 -0.031 0.199 0.253 0.038 -0.010 -0.019 -0.022 0.013 0.053 -0.001 0.048 0.069 0.046 0.119 0.069 0.030 -0.013 -0.032 0.020 0.028 0.005 0.040 0.016 0.001 -0.003 -0.003 -0.032 0.013 -0.018 -0.093 0.030 0.035 0.013 -0.022 0.010 0.008 0.025 0.081 0.066 0.051 0.114 0.069 0.039 0.004 0.058 0.008 0.012 -0.006 0.020 -0.057 -0.058 -0.006 0.032 -0.127 0.065 0.012 -0.013 -0.064 -0.006 0.033 0.049 -0.169 0.066 0.141 0.086 0.046 0.026 0.038 -0.026 -0.050 0.138 -0.072 0.057 -0.007 -0.005 -0.055 0.090 -0.058 -0.069 0.031 -0.011 0.020 0.009 0.014 0.009 0.086 0.020 0.087 -0.015 0.001 -0.039 0.032 -0.020 0.024 -0.041 0.022 -0.071 0.002 0.021 0.006 -0.007 0.009 0.056 0.000 0.021 0.017 0.003 0.006 -0.002 0.034 -0.039 -0.028 -0.035 0.020 -0.030 -0.026 0.017 -0.005 -0.020 0.006 -0.032 -0.020 0.005 -0.018 -0.069 -0.017 -0.021 -0.025 -0.028 -0.001 0.008 0.004 -0.045 0.008 0.004 -0.018 -0.021 0.021 -0.005 -0.015 0.020 -0.018 0.013 0.019 0.015 -0.014 0.003 0.007 0.080 -0.043 -0.005 0.021 0.036 0.029 -0.486 -0.646 -0.052 -0.013 -0.027 -0.007 -0.014 0.072 -0.018 -0.212 -0.271 -0.030 -0.009 -0.003 0.013 0.002 0.008 0.008 0.000 0.002 0.011 0.006 0.001 -0.008 0.005 0.018 0.002 -0.027 0.012 0.036 0.062 -0.031 -0.008 -0.005 0.006 -0.037 -0.018 0.001 0.006 0.004 -0.002 0.003 -0.002 0.047 -0.007 -0.014 -0.002 -0.049 -0.015 0.049 0.018 -0.089 0.038 0.056 -0.038 0.014 0.018 -0.083 -0.029 -0.048 0.002 0.059 -0.061 0.129 0.108 0.009 0.022 -0.001 -0.009 -0.001 -0.037 0.008 0.086 -0.058 -0.087 0.015 0.039 -0.045 -0.039 -0.009 0.009 0.094 -0.028 -0.094 0.010 0.158 -0.027 -0.006 -0.090 0.032 -0.156 -0.069 0.061 -0.107 0.129 0.178 -0.030 0.016 -0.023 0.066 -0.039 -0.070 0.007 -0.116 -0.115 0.018 -0.013 -0.006 0.082 -0.081 0.003 -0.056 0.037 0.037 0.134 0.133 0.016 0.082 -0.022 -0.041 -0.112 -0.012 0.121 -0.023 0.016 -0.003 -0.100 0.127 -0.070 0.012 -0.045 0.167 -0.152 0.094 -0.080 0.251 -0.028 0.095 -0.117 0.034 -0.055 -0.057 -0.038 0.027 0.071 -0.013 -0.084 -0.191 -0.105 0.042 -0.081 -0.074 -0.006 -0.116 -0.200 -0.015 -0.153 0.177 -0.075 0.060 -0.188 0.083 -0.006 -0.062 -0.017 0.165 -0.007 -0.044 -0.047 0.011 -0.022 0.096 -0.021 -0.003 -0.026 -0.032 0.005 -0.079 0.000 -0.001 0.018 0.045 -0.009 -0.001 -0.006 -0.004 -0.008 -0.098 0.064 0.133 -0.007 -0.015 0.139 -0.009 -0.014 0.024 -0.101 0.059 0.045 -0.029 -0.040 0.277 -0.090 0.028 0.000 0.057 -0.070 0.057 -0.076 0.026 0.095 0.093 0.037 -0.052 0.118 0.003 0.086 0.094 0.035 -0.060 -0.057 -0.005 -0.024 -0.064 -0.005 -0.061 -0.041 -0.042 -0.055 -0.003 -0.113 -0.110 -0.028 -0.031 -0.043 -0.089 -0.011 -0.027 -0.083 0.048 -0.057 -0.051 -0.021 0.024 0.075 -0.041 0.075 0.115 0.028 0.080 -0.123 0.056 -0.072 -0.029 0.033 -0.208 -0.043 -0.062 -0.064 -0.116 0.035 0.040 0.031 0.038 0.076 0.110 -0.027 0.127 0.146 -0.016 -0.012 -0.007 -0.042 -0.007 -0.085 0.046 0.045 0.079 -0.013 -0.186 -0.022 -0.075 -0.114 0.028 -0.071 0.252 -0.184 0.193 0.061 0.104 0.026 0.174 -0.047 0.143 0.155 -0.108 0.012 0.087 0.007 -0.004 -0.046 0.033 -0.050 0.128 -0.100 0.049 0.049 0.065 0.021 -0.202 0.031 -0.126 -0.181 0.122 -0.001 0.015 0.019 0.018 0.089 0.033 0.002 0.132 0.016 -0.028 0.056 0.022 0.034 -0.186 0.035 -0.058 0.146 -0.065 0.049 0.032 0.050 0.012 -0.079 -0.047 -0.052 0.017 -0.012 -0.073 0.061 0.027 0.003 0.088 0.024 -0.010 -0.166 0.079 0.026 -0.082 -0.028 -0.050 0.019 0.098 0.039 -0.052 0.088 -0.047 0.033 0.056 -0.060 0.055 0.156 -0.022 0.055 0.009 0.072 -0.036 -0.024 -0.057 -0.053 0.034 0.117 0.076 0.057 0.001 0.057 -0.073 0.135 0.102 -0.038 0.091 0.157 -0.063 0.010 0.016 -0.022 0.011 -0.159 -0.140 -0.174 0.038 -0.014 0.056 0.015 -0.154 0.103 -0.095 -0.010 0.030 -0.089 0.136 0.089 0.018 -0.030 -0.098 -0.129 -0.034 -0.059 0.005 0.005 -0.042 0.039 -0.093 -0.065 -0.041 -0.085 0.029 0.058 -0.060 0.071 0.081 -0.065 0.125 -0.017 -0.011 -0.057 0.003 -0.171 -0.063 -0.043 0.002 -0.078 -0.073 0.003 -0.060 0.088 0.036 0.022 0.003 -0.139 0.037 0.068 0.070 0.001 0.028 0.083 0.041 -0.058 -0.035 0.040 0.028 -0.194 0.069 0.054 0.157 0.108 0.233 0.308 0.042 -0.112 0.063 -0.105 -0.116 0.041 -0.062 0.051 0.054 0.023 0.029 0.003 -0.001 0.076 0.125 -0.050 -0.027 -0.055 0.011 -0.118 0.009 -0.061 0.013 0.120 -0.004 0.037 0.060 -0.004 0.114 -0.023 0.053 0.002 -0.032 0.035 0.043 -0.010 0.035 0.008 -0.001 0.006 -0.110 -0.009 -0.039 0.052 -0.068 0.095 -0.049 -0.243 -0.038 0.098 0.033 0.080 -0.019 -0.008 -0.035 -0.019 0.102 -0.090 -0.022 -0.009 0.015 0.051 -0.048 -0.098 -0.070 -0.023 0.064 0.106 -0.145 0.176 -0.089 0.029 0.038 0.044 -0.105 -0.014 0.039 0.031 0.118 -0.038 0.024 0.065 -0.171 -0.097 -0.149 -0.007 -0.007 0.029 0.200 0.029 0.050 0.085 0.031 -0.180 -0.025 -0.003 0.047 0.022 0.022 -0.163 0.102 -0.085 -0.108 -0.033 0.011 -0.029 -0.149 0.189 0.085 0.049 0.105 -0.054 -0.020 0.072 -0.009 -0.078 0.035 0.039 -0.060 0.002 0.025 -0.062 0.135 0.068 0.001 0.056 -0.014 -0.017 -0.081 0.180 0.030 -0.024 0.046 -0.103 -0.050 -0.078 0.015 0.027 0.017 0.005 -0.003 0.033 -0.001 0.007 0.032 0.343 -0.007 -0.011 -0.003 -0.007 0.030 0.099 0.030 0.059 -0.066 0.109 -0.033 0.105 -0.351 0.095 0.027 -0.107 0.017 -0.031 0.053 -0.040 0.060 0.070 -0.042 -0.046 0.015 -0.047 0.016 -0.088 0.040 0.011 0.020 0.039 0.007 0.000 -0.034 0.010 -0.023 0.060 0.044 0.016 0.053 -0.028 0.047 -0.025 -0.061 0.034 -0.051 0.056 -0.236 0.050 -0.072 0.018 0.013 -0.093 -0.043 -0.076 0.009 -0.003 -0.004 0.049 0.011 -0.030 0.074 -0.121 0.054 0.092 -0.070 -0.017 0.005 -0.042 0.040 0.119 -0.047 -0.153 -0.203 -0.181 0.133 0.259 -0.127 -0.332 -0.152 -0.088 0.196 0.034 -0.050 0.122 0.083 0.007 -0.081 0.170 0.137 0.080 -0.061 -0.056 -0.106 0.130 -0.055 0.045 0.010 -0.045 -0.131 -0.069 0.075 0.083 -0.020 0.023 0.056 -0.030 -0.020 -0.027 0.043 0.014 -0.028 -0.024 -0.059 -0.025 -0.012 0.008 -0.051 -0.082 -0.014 -0.017 0.129 -0.062 -0.145 -0.023 0.028 0.017 -0.045 0.018 -0.004 -0.063 0.076 -0.050 0.009 0.018 0.027 0.036 0.007 0.018 0.052 0.053 0.001 0.045 0.002 0.012 -0.000 0.073 0.028 -0.058 -0.007 -0.052 0.242 -0.089 -0.007 0.007 0.105 0.064 -0.027 -0.095 -0.088 -0.055 0.071 -0.033 -0.032 0.100 -0.011 0.062 0.042 -0.066 -0.046 -0.021 -0.013 0.063 0.114 -0.048 -0.026 -0.007 -0.038 -0.013 0.028 -0.022 0.007 0.080 0.028 0.072 -0.042 0.019 -0.131 -0.047 0.131 -0.044 -0.047 -0.075 -0.050 -0.013 -0.005 -0.030 -0.021 -0.028 -0.005 0.072 -0.004 0.139 -0.045 -0.187 0.069 0.071 0.009 0.006 -0.035 0.044 0.057 -0.014 -0.021 0.107 -0.069 0.069 -0.008 -0.135 0.096 -0.050 -0.281 -0.014 0.017 0.001 -0.040 0.008 0.076 -0.137 -0.121 0.097 0.043 -0.005 0.017 -0.069 -0.087 0.032 -0.084 -0.042 0.016 -0.035 0.070 0.050 0.051 -0.000 0.026 -0.046 -0.233 0.016 -0.096 -0.010 0.049 0.187 -0.064 0.070 0.100 -0.016 0.001 -0.011 0.020 -0.102 -0.138 0.010 0.041 0.000 -0.115 -0.020 0.065 0.004 0.007 0.034 0.038 0.035 -0.004 -0.086 0.077 -0.017 0.001 0.035 0.043 0.085 0.003 -0.038 -0.089 0.164 -0.074 0.044 -0.009 0.188 0.101 -0.020 0.059 -0.017 0.069 -0.009 0.100 -0.004 0.041 0.054 0.095 0.047 -0.067 -0.022 -0.109 -0.347 0.053 -0.040 0.041 0.111 0.082 0.011 -0.178 0.003 -0.110 0.187 -0.075 0.038 -0.056 0.035 0.028 -0.158 0.002 -0.041 0.013 -0.046 0.102 0.102 -0.034 -0.054 0.000 -0.015 -0.005 0.017 -0.007 0.041 0.079 0.030 0.025 -0.181 0.057 0.020 0.015 -0.102 0.068 0.060 -0.028 -0.044 0.001 -0.036 -0.041 0.008 -0.057 0.037 -0.045 0.032 -0.072 0.067 -0.007 0.033 0.139 0.033 -0.026 -0.176 0.076 -0.065 -0.001 -0.000 -0.058 0.324 -0.199 -0.087 -0.029 0.091 -0.097 -0.124 -0.258 -0.006 -0.011 -0.152 -0.069 -0.061 -0.055 0.034 -0.032 0.081 -0.020 -0.077 0.143 0.132 -0.023 0.051 -0.014 0.036 -0.096 0.162 0.209 0.198 0.004 0.020 -0.100 -0.036 -0.171 0.084 -0.016 0.074 0.115 0.005 -0.050 0.041 -0.035 -0.012 0.090 0.067 0.045 0.031 -0.083 0.042 -0.018 -0.019 -0.134 0.016 0.025 0.004 0.013 0.114 0.033 0.069 0.074 -0.008 0.073 -0.010 0.028 -0.000 0.084 -0.067 -0.073 -0.063 -0.007 0.035 -0.032 -0.018 0.021 0.087 -0.083 0.110 0.096 0.113 0.068 0.024 0.076 0.029 0.028 0.015 0.003 -0.049 -0.008 -0.146 0.004 -0.224 0.035 0.026 0.008 0.003 -0.082 0.087 -0.047 0.035 -0.087 0.066 0.038 -0.065 0.035 -0.011 0.162 -0.061 0.006 -0.028 -0.002 0.052 0.017 -0.010 -0.018 0.024 0.018 0.036 -0.035 0.028 0.046 -0.021 0.037 -0.090 0.033 -0.111 0.030 -0.046 0.004 0.035 0.043 -0.101 -0.005 -0.052 0.023 0.015 -0.034 -0.004 0.043 -0.046 0.016 0.013 -0.018 0.033 0.165 0.187 0.107 -0.040 0.016 0.132 -0.021 -0.008 0.007 -0.022 -0.145 0.043 0.052 0.016 -0.105 0.110 0.125 0.103 -0.001 -0.035 0.015 0.053 0.048 -0.026 0.107 -0.126 -0.137 0.020 -0.079 -0.079 0.041 -0.047 -0.031 0.011 0.002 0.020 -0.079 -0.063 -0.076 -0.057 -0.009 -0.019 -0.118 -0.120 0.031 0.008 0.176 0.218 0.004 0.016 0.024 -0.041 0.051 -0.027 0.021 0.140 0.164 -0.001 0.006 -0.011 -0.167 0.043 0.047 0.069 0.072 0.026 0.215 0.148 0.060 0.125 -0.051 -0.068 -0.024 0.037 -0.048 0.137 -0.034 -0.089 0.104 -0.234 0.083 -0.084 -0.018 -0.257 -0.070 0.059 -0.014 -0.043 0.026 -0.020 -0.044 0.015 0.004 -0.079 -0.002 0.003 -0.079 -0.055 -0.087 -0.219 -0.202 -0.001 -0.026 0.049 0.021 -0.017 -0.103 -0.002 0.140 -0.278 0.094 -0.011 -0.010 -0.005 0.026 -0.038 0.005 0.045 0.063 -0.012 0.008 0.104 -0.045 -0.114 -0.025 -0.038 0.016 -0.067 0.015 -0.026 0.037 0.057 0.039 0.011 0.024 -0.006 -0.033 -0.033 -0.073 -0.019 -0.001 0.024 0.033 0.040 0.018 0.044 -0.009 -0.025 0.022 -0.011 0.020 -0.071 -0.111 -0.083 -0.025 -0.052 0.035 0.007 -0.134 -0.015 -0.005 0.057 -0.008 0.306 -0.094 -0.053 -0.021 0.173 -0.045 -0.264 -0.167 -0.092 0.044 0.140 0.110 0.024 0.102 0.147 -0.125 -0.307 0.036 0.011 -0.177 -0.137 -0.036 -0.060 0.060 -0.015 -0.029 -0.119 -0.050 -0.101 -0.029 -0.055 0.059 -0.063 0.084 -0.083 0.004 -0.018 0.016 0.036 -0.022 -0.024 0.014 0.016 -0.008 -0.003 0.045 0.068 0.005 0.005 0.013 0.070 -0.053 -0.058 -0.017 0.009 -0.016 -0.050 0.021 -0.074 0.059 -0.086 -0.185 0.011 -0.003 0.017 -0.018 0.068 0.021 0.057 -0.067 0.034 0.015 0.016 -0.096 -0.030 0.064 -0.000 0.098 -0.009 0.045 -0.046 0.100 -0.032 0.001 -0.002 0.032 0.005 0.011 -0.001 -0.146 0.104 -0.047 0.011 0.005 0.032 0.259 0.274 0.148 0.057 -0.070 0.027 0.004 0.060 -0.006 0.079 -0.013 0.095 0.027 0.007 0.004 0.002 0.014 0.001 0.025 0.001 -0.003 0.020 0.010 0.006 -0.013 -0.002 0.024 -0.020 -0.048 0.029 -0.022 0.018 0.018 -0.067 -0.075 0.065 0.021 0.023 -0.013 0.021 0.018 0.019 0.001 0.062 0.003 0.062 -0.078 -0.171 0.001 -0.139 -0.033 0.001 -0.075 0.108 0.003 -0.000 -0.056 0.021 -0.079 0.014 0.025 -0.056 -0.034 -0.046 -0.061 -0.005 -0.006 0.007 -0.000 -0.071 -0.083 0.002 -0.170 0.185 0.219 -0.039 0.078 0.053 -0.094 0.060 0.033 0.009 -0.020 -0.032 0.032 -0.000 0.042 0.057 0.039 0.007 0.023 0.076 -0.035 0.037 -0.047 -0.078 -0.047 0.126 0.068 -0.001 -0.036 0.032 -0.040 0.092 0.131 -0.018 0.007 -0.011 0.111 -0.084 -0.008 -0.008 0.022 -0.028 -0.067 0.009 -0.075 -0.126 0.116 0.107 -0.031 0.012 -0.043 -0.074 0.174 0.121 0.004 -0.239 0.034 -0.159 -0.044 -0.244 -0.022 0.071 -0.047 0.233 0.059 0.088 0.005 0.034 -0.044 -0.056 0.020 0.038 0.094 -0.000 -0.072 0.110 0.119 -0.026 0.020 0.115 0.081 0.055 0.012 -0.016 0.072 -0.310 0.062 -0.043 -0.145 0.024 0.009 -0.057 -0.023 0.079 -0.105 0.003 0.032 0.116 -0.047 0.115 -0.010 0.003 -0.057 -0.100 -0.003 -0.016 0.098 0.018 0.003 -0.052 -0.012 -0.012 0.021 -0.000 0.042 0.030 -0.014 0.040 -0.070 -0.044 0.114 -0.077 0.037 -0.068 -0.102 0.006 -0.059 0.117 0.139 0.206 0.007 0.047 -0.006 -0.048 0.005 0.038 0.018 0.046 0.023 0.097 0.006 0.023 0.011 0.112 0.023 -0.046 -0.011 0.017 0.019 0.095 0.034 -0.005 0.074 -0.039 0.086 0.132 0.029 0.003 0.072 0.008 -0.024 0.017 -0.021 -0.001 0.102 0.007 -0.055 0.045 0.029 0.080 0.060 -0.057 -0.190 0.030 -0.008 0.033 -0.012 0.021 -0.021 -0.096 -0.028 -0.033 0.044 -0.041 -0.005 -0.028 0.030 0.000 0.076 -0.286 -0.006 0.252 -0.001 0.020 -0.067 -0.001 0.036 -0.075 -0.020 0.063 0.098 0.069 -0.019 0.002 -0.025 0.111 0.022 0.002 0.036 -0.016 0.000 0.036 0.001 -0.038 0.024 -0.069 0.137 0.236 -0.047 -0.044 0.005 -0.055 0.012 -0.014 -0.019 -0.063 -0.107 -0.355 0.105 -0.230 -0.041 -0.004 -0.048 -0.049 0.090 0.071 0.081 0.015 0.014 -0.003 -0.050 0.093 -0.037 0.046 0.003 0.068 0.051 -0.150 -0.002 -0.099 -0.117 0.061 -0.010 -0.069 -0.102 -0.028 0.049 -0.016 -0.026 -0.033 -0.073 0.035 0.017 0.041 0.028 0.002 0.064 -0.015 0.057 -0.013 -0.014 -0.116 -0.047 0.093 -0.108 0.060 -0.037 0.034 -0.013 -0.001 0.063 0.096 0.172 0.327 0.018 0.031 0.014 0.114 -0.100 -0.056 0.185 -0.142 0.111 -0.113 0.014 0.005 -0.030 0.300 0.018 -0.031 -0.041 -0.090 -0.041 -0.041 -0.204 -0.033 -0.213 0.095 0.245 -0.057 -0.104 -0.013 -0.031 -0.022 0.028 -0.022 -0.051 -0.065 -0.090 0.030 -0.108 0.012 0.038 -0.039 0.074 -0.045 0.071 -0.024 -0.018 -0.054 0.044 -0.067 0.008 0.006 -0.001 -0.067 -0.005 0.030 0.033 -0.006 -0.049 -0.026 0.013 -0.040 -0.037 -0.022 -0.009 -0.002 -0.001 -0.005 0.004 -0.127 0.054 0.128 0.047 0.049 -0.046 -0.051 0.006 0.034 0.091 0.120 0.017 0.104 0.078 0.045 -0.131 0.143 0.025 0.095 -0.086 0.051 -0.125 0.155 0.019 -0.028 0.132 0.001 -0.016 0.005 -0.009 0.151 -0.080 0.026 -0.048 0.117 0.026 0.018 -0.122 0.057 0.114 0.075 0.044 0.002 0.215 -0.109 0.134 0.028 0.057 -0.004 0.024 -0.061 0.033 0.133 -0.066 0.002 -0.006 -0.022 0.073 0.109 -0.018 -0.021 0.007 0.105 0.019 -0.017 0.047 -0.040 -0.107 -0.075 -0.025 0.019 -0.024 -0.005 0.026 -0.044 -0.004 0.031 -0.053 0.030 0.161 -0.101 -0.116 0.037 0.110 0.116 -0.156 -0.028 -0.022 -0.001 -0.043 0.117 0.019 0.037 0.179 0.298 0.057 -0.055 0.089 0.326 0.012 -0.124 -0.033 0.124 -0.014 -0.193 -0.098 -0.065 -0.092 -0.115 0.086 -0.016 -0.052 -0.016 0.082 0.045 0.040 0.020 -0.035 -0.016 -0.020 0.129 0.015 0.021 -0.121 -0.010 -0.149 0.024 0.051 0.001 0.003 0.037 0.011 -0.023 -0.011 -0.074 -0.018 -0.029 -0.019 -0.050 -0.020 0.002 0.070 -0.024 -0.021 -0.006 0.163 0.027 0.018 0.015 0.025 0.043 0.018 0.039 -0.103 0.091 -0.035 0.003 -0.026 0.078 0.024 -0.066 -0.032 0.014 -0.087 -0.034 -0.056 -0.025 -0.067 -0.111 0.099 -0.081 -0.176 -0.077 -0.087 -0.134 0.078 -0.089 -0.073 -0.035 0.026 0.070 0.003 0.142 -0.013 0.048 0.009 -0.058 -0.037 0.005 0.004 0.063 -0.112 0.019 -0.110 -0.002 0.028 -0.149 0.068 0.047 0.189 -0.046 -0.049 0.044 -0.070 -0.102 -0.061 0.054 0.011 -0.008 0.017 -0.044 -0.039 -0.033 -0.098 -0.009 -0.015 0.097 0.032 0.080 -0.004 -0.018 -0.048 -0.065 0.011 -0.126 -0.036 0.021 -0.042 -0.052 0.016 -0.111 -0.023 -0.007 0.034 -0.086 0.084 -0.049 -0.109 0.024 -0.022 -0.044 0.062 0.285 0.057 0.002 -0.080 0.089 0.020 0.047 -0.031 0.053 -0.005 -0.124 0.022 0.013 -0.059 -0.031 0.014 -0.005 -0.020 -0.002 -0.042 -0.148 -0.045 -0.034 -0.036 -0.106 -0.100 -0.178 -0.128 -0.148 -0.074 0.111 -0.036 -0.225 0.099 -0.021 0.013 0.010 0.023 -0.082 0.038 -0.024 0.070 0.047 -0.148 0.219 0.072 -0.049 -0.079 0.064 0.087 -0.023 -0.074 -0.070 -0.083 0.058 0.053 0.019 0.067 0.014 0.009 -0.035 0.071 0.042 -0.051 0.020 -0.098 -0.032 0.109 -0.044 -0.104 0.002 -0.046 -0.056 0.042 0.085 0.046 0.056 0.015 0.258 0.026 0.055 -0.117 -0.055 0.094 0.005 0.034 0.001 -0.093 -0.047 0.145 -0.035 0.077 0.005 0.011 -0.057 -0.190 -0.017 0.009 0.228 0.026 0.098 0.238 -0.013 0.157 -0.038 0.092 0.095 -0.100 -0.016 -0.031 0.060 -0.027 0.056 -0.026 0.116 -0.019 -0.007 -0.006 0.059 0.030 0.074 0.078 0.043 0.005 -0.035 0.098 -0.102 0.011 0.036 -0.022 -0.065 -0.094 -0.022 0.029 0.031 -0.001 0.054 -0.035 0.051 0.064 -0.042 0.101 0.105 -0.104 -0.031 -0.088 -0.132 -0.071 -0.087 0.164 0.085 -0.007 0.039 -0.039 0.141 -0.076 -0.250 0.253 -0.011 0.081 -0.063 0.059 0.074 -0.319 -0.022 -0.011 -0.018 -0.038 0.079 -0.031 -0.020 -0.009 -0.140 -0.031 0.106 -0.021 -0.040 0.014 0.024 0.047 0.042 0.063 -0.038 -0.005 -0.009 -0.182 -0.046 -0.047 -0.168 0.033 -0.032 -0.005 -0.007 0.014 -0.006 0.019 0.072 -0.033 0.004 0.000 0.060 0.036 0.087 0.070 0.038 0.026 -0.037 -0.034 0.011 -0.074 -0.041 0.002 0.017 0.012 -0.011 -0.000 0.031 -0.102 -0.046 0.057 -0.151 -0.033 0.036 0.016 0.049 0.028 -0.004 -0.028 0.068 0.081 0.015 -0.028 -0.093 0.019 -0.117 0.090 0.095 0.029 -0.062 -0.067 -0.122 -0.077 -0.114 0.027 -0.026 -0.016 -0.047 -0.005 0.026 0.008 -0.066 -0.101 0.028 0.189 0.351 -0.121 -0.109 0.108 -0.015 -0.005 0.207 -0.013 -0.130 -0.052 -0.114 0.009 0.001 -0.016 0.070 0.064 -0.035 -0.019 -0.011 -0.020 0.059 0.024 0.058 -0.049 -0.020 0.104 0.057 0.042 -0.095 -0.017 0.010 -0.014 -0.057 -0.181 0.108 0.009 0.006 0.006 -0.012 -0.005 -0.032 0.049 0.105 0.017 -0.091 -0.050 0.069 -0.021 -0.003 -0.018 -0.021 0.066 0.052 0.070 0.046 -0.017 0.105 -0.029 0.112 0.021 0.041 0.039 0.117 0.022 0.105 -0.058 0.085 -0.024 -0.025 -0.017 0.032 -0.023 -0.033 0.090 0.034 0.222 0.016 -0.108 -0.100 -0.072 -0.068 0.011 -0.125 -0.117 -0.109 -0.177 -0.064 -0.020 -0.078 0.090 -0.085 0.069 -0.021 0.013 -0.029 0.060 -0.105 -0.088 -0.135 0.065 -0.037 0.013 -0.047 -0.057 -0.026 0.037 -0.112 0.140 -0.303 -0.155 0.004 -0.024 -0.037 0.060 0.012 -0.036 0.007 -0.016 0.086 0.026 0.027 -0.032 -0.023 -0.013 -0.014 0.025 -0.032 -0.027 -0.032 -0.007 0.062 -0.008 -0.027 0.002 0.094 0.359 0.141 -0.020 -0.044 0.014 -0.013 -0.027 -0.064 -0.075 0.073 -0.162 0.128 -0.173 -0.003 -0.033 -0.069 -0.092 0.046 -0.041 -0.027 0.035 -0.065 -0.006 0.061 -0.157 0.025 0.056 0.012 0.010 -0.113 0.076 -0.067 -0.048 -0.069 0.049 -0.069 0.126 0.108 0.009 -0.011 -0.020 -0.007 -0.054 0.003 0.051 -0.034 0.079 0.035 -0.006 0.063 -0.050 -0.011 -0.020 -0.077 0.015 -0.041 -0.148 0.060 -0.088 0.042 -0.092 -0.004 -0.038 -0.014 0.036 -0.095 0.192 0.074 0.010 0.021 0.054 0.042 0.017 -0.020 0.091 0.020 0.036 -0.064 0.061 -0.002 -0.045 -0.045 -0.010 0.003 0.026 0.046 0.003 -0.105 0.010 0.160 -0.141 0.200 -0.004 0.195 -0.169 -0.188 -0.029 -0.095 0.048 -0.036 -0.082 0.064 0.123 0.066 0.076 -0.028 0.064 0.237 0.106 0.141 -0.078 0.075 -0.224 0.002 0.025 -0.016 -0.017 0.014 0.003 -0.008 0.006 0.013 0.001 0.038 0.020 -0.100 0.066 0.008 0.009 -0.028 0.073 0.165 -0.012 0.147 0.248 -0.138 0.137 -0.007 0.020 0.043 -0.156 -0.190 0.070 -0.017 -0.005 0.007 0.000 -0.005 -0.026 0.024 -0.009 -0.016 0.070 0.021 -0.017 0.032 -0.028 -0.018 0.005 -0.014 0.016 -0.060 0.012 0.008 0.284 0.101 0.123 0.014 -0.015 -0.000 0.111 0.128 0.060 0.004 -0.023 0.017 0.010 -0.001 0.033 0.014 -0.029 0.031 0.115 0.076 0.066 -0.013 -0.030 0.026 -0.039 0.000 -0.079 -0.013 -0.006 0.008 -0.003 0.008 -0.022 0.003 -0.023 -0.008 -0.035 -0.017 -0.056 0.030 -0.049 0.063 0.145 0.070 0.141 0.072 0.053 0.075 0.006 -0.003 0.039 0.123 -0.120 0.150 0.097 0.027 -0.026 -0.050 0.017 -0.036 0.016 -0.024 -0.013 0.048 -0.014 -0.008 -0.027 0.006 -0.004 -0.022 -0.017 -0.028 0.073 0.043 -0.101 -0.017 0.018 0.036 0.195 -0.024 0.094 0.035 0.343 0.024 -0.203 -0.168 -0.157 -0.125 0.002 0.056 0.107 -0.040 0.068 0.138 0.096 -0.015 -0.057 -0.101 -0.011 -0.024 0.058 0.040 0.097 -0.082 -0.005 0.052 -0.074 -0.060 -0.044 0.004 0.011 -0.011 0.004 -0.062 -0.067 0.126 0.171 0.013 -0.009 -0.065 0.077 0.073 -0.157 0.231 -0.031 0.080 -0.016 0.039 -0.026 -0.060 0.087 0.048 -0.019 -0.010 -0.005 0.005 0.021 0.013 -0.128 0.083 -0.014 -0.256 -0.199 -0.085 -0.103 0.058 -0.030 -0.044 0.009 -0.013 0.031 -0.032 0.015 -0.139 -0.216 -0.070 -0.054 0.003 0.002 -0.127 -0.125 -0.083 -0.022 0.006 -0.016 -0.045 0.033 -0.087 -0.034 0.016 -0.063 0.075 -0.022 0.026 0.075 0.102 -0.061 0.038 -0.017 0.061 -0.005 0.028 -0.029 -0.023 -0.029 0.118 -0.022 -0.039 -0.050 0.038 0.004 0.076 0.025 0.046 -0.045 0.053 -0.023 -0.026 0.103 -0.003 0.048 -0.037 0.016 -0.108 0.177 -0.020 0.067 -0.082 0.014 0.037 -0.009 0.006 0.053 -0.008 -0.083 0.037 0.001 0.038 -0.028 -0.047 0.009 0.015 0.010 0.029 -0.007 0.034 -0.047 -0.023 0.072 0.074 -0.001 0.204 0.233 -0.119 -0.025 -0.121 -0.060 0.045 0.088 0.040 -0.024 0.039 0.129 0.043 -0.163 -0.001 0.141 0.234 0.051 0.062 0.060 0.027 0.002 -0.021 -0.067 0.023 -0.064 0.000 -0.038 0.041 0.056 0.032 -0.059 -0.134 0.050 -0.037 -0.007 0.014 -0.092 -0.016 0.004 -0.018 0.040 0.020 -0.026 0.059 0.120 0.191 -0.109 0.056 0.056 -0.123 -0.015 -0.056 0.021 -0.011 0.060 -0.090 -0.070 -0.030 0.095 -0.108 0.077 -0.027 0.041 0.190 0.037 -0.104 0.075 -0.039 -0.044 0.103 -0.078 -0.023 -0.006 -0.022 0.131 0.129 0.057 -0.074 0.079 -0.061 -0.014 0.027 -0.038 -0.005 0.020 -0.050 -0.042 -0.057 -0.057 -0.015 0.051 -0.015 0.059 -0.047 0.204 0.029 0.047 -0.015 -0.026 -0.003 0.021 -0.031 -0.044 -0.036 -0.018 -0.014 0.069 -0.013 -0.001 -0.029 -0.034 0.026 -0.047 0.017 0.176 -0.092 0.034 -0.031 0.152 0.100 -0.028 0.241 -0.039 -0.104 -0.062 0.246 0.207 -0.061 -0.032 0.178 0.054 -0.042 -0.007 -0.025 -0.022 -0.005 0.052 -0.049 -0.001 -0.033 -0.049 -0.004 -0.071 0.039 0.010 -0.012 0.007 0.036 -0.073 0.025 0.117 0.058 -0.226 0.054 -0.190 0.004 0.110 -0.114 0.026 0.091 0.033 -0.072 0.044 0.043 -0.001 -0.117 -0.048 -0.185 -0.115 -0.115 0.151 -0.091 0.176 -0.045 0.074 -0.110 -0.018 0.048 0.054 0.054 -0.055 -0.005 -0.004 0.023 0.018 0.029 -0.017 -0.027 -0.060 -0.075 0.164 0.030 -0.032 0.046 0.134 -0.010 0.067 -0.255 0.082 -0.164 0.017 -0.067 0.059 -0.050 -0.181 0.002 0.066 -0.023 0.016 0.023 0.014 -0.049 0.013 0.025 0.038 -0.039 0.078 -0.044 0.027 0.021 0.039 0.016 -0.032 0.065 0.012 -0.050 -0.091 0.321 -0.102 0.120 0.032 -0.004 0.083 -0.100 -0.072 -0.002 0.020 0.022 -0.003 0.025 0.037 0.024 -0.018 0.033 -0.005 0.005 -0.033 -0.169 0.043 0.046 -0.056 0.061 -0.044 0.031 0.013 0.020 -0.007 -0.004 0.006 0.007 -0.063 -0.040 -0.020 -0.029 0.099 0.027 -0.068 -0.066 -0.033 0.002 -0.063 -0.118 -0.012 -0.063 -0.215 0.019 0.072 0.033 -0.204 0.062 -0.154 -0.040 0.157 0.035 -0.045 -0.032 -0.079 -0.026 -0.055 0.105 -0.048 0.033 -0.042 -0.023 -0.028 -0.017 0.116 0.091 0.006 0.037 -0.033 0.000 -0.064 -0.014 -0.085 0.080 -0.273 0.106 0.022 0.099 0.105 0.040 0.029 0.035 0.071 -0.079 -0.069 0.055 -0.157 -0.010 -0.014 -0.217 -0.023 -0.067 0.200 -0.130 0.027 -0.034 -0.032 0.034 0.059 0.020 -0.072 -0.021 0.064 -0.016 -0.045 -0.071 0.053 -0.041 -0.019 -0.051 0.026 0.058 -0.029 0.061 0.022 -0.135 -0.015 0.127 0.112 -0.246 0.125 0.062 -0.051 0.004 0.007 0.060 0.006 0.065 -0.024 -0.026 -0.024 0.006 0.085 -0.005 0.049 -0.002 -0.037 0.218 -0.069 0.018 0.016 0.013 -0.005 -0.006 0.043 -0.034 -0.005 0.019 -0.171 0.314 -0.020 0.017 0.028 0.070 -0.088 -0.053 0.035 0.076 -0.064 0.013 0.033 -0.020 0.020 -0.005 0.067 0.047 -0.041 -0.038 0.007 0.025 0.039 -0.035 -0.002 -0.014 -0.008 -0.008 0.013 -0.038 -0.020 0.017 0.015 -0.066 -0.020 -0.031 0.068 0.010 0.002 -0.037 -0.231 0.095 -0.035 -0.023 0.064 -0.060 -0.055 -0.027 0.072 -0.094 0.054 0.022 -0.238 0.091 -0.144 0.240 0.005 -0.019 -0.012 0.031 -0.075 0.009 -0.011 -0.245 0.087 -0.096 0.112 -0.048 -0.015 0.028 -0.067 -0.040 0.049 0.008 -0.014 -0.088 -0.184 -0.027 0.061 0.082 0.051 -0.033 0.057 0.006 -0.095 -0.004 -0.038 0.081 -0.033 -0.076 0.022 -0.088 -0.081 0.137 -0.087 0.136 -0.034 -0.041 -0.025 -0.014 0.069 -0.018 -0.123 0.065 0.046 0.002 0.080 0.071 0.218 0.124 -0.068 0.086 -0.011 -0.045 0.026 0.048 0.020 0.040 -0.013 -0.030 0.113 0.047 -0.078 0.050 0.026 -0.004 -0.100 -0.046 -0.075 -0.064 0.057 0.089 -0.046 0.055 0.022 0.071 -0.078 -0.168 0.040 -0.008 -0.010 -0.164 0.186 -0.033 0.012 0.039 0.007 0.024 -0.001 0.036 0.063 -0.063 0.037 -0.042 -0.068 -0.043 0.018 -0.008 0.006 -0.071 -0.036 -0.091 -0.176 0.193 -0.043 -0.096 0.218 0.009 -0.003 0.071 -0.070 0.056 -0.104 -0.074 -0.009 -0.037 0.003 -0.042 -0.015 0.104 -0.004 -0.081 0.115 0.014 0.031 -0.080 -0.042 0.031 0.076 -0.016 -0.023 -0.045 0.083 -0.114 0.114 0.008 -0.117 -0.069 0.051 -0.048 -0.004 -0.033 0.040 0.061 0.134 0.042 0.070 -0.300 0.160 0.017 0.088 -0.041 0.012 -0.007 0.007 -0.049 -0.081 0.036 -0.015 0.113 -0.049 0.039 0.078 -0.006 0.028 0.015 0.009 -0.119 0.017 0.136 -0.042 0.024 -0.054 0.003 0.027 0.045 0.060 -0.078 -0.082 -0.079 -0.099 -0.006 0.103 -0.009 -0.214 0.067 -0.140 0.104 -0.244 0.041 0.205 -0.062 -0.000 -0.017 -0.030 -0.080 -0.051 0.020 0.017 -0.020 0.013 0.139 0.093 0.001 -0.073 -0.004 -0.035 -0.046 -0.065 0.037 -0.020 0.022 0.041 -0.031 0.001 0.047 0.064 0.004 0.037 -0.070 -0.021 -0.083 -0.003 -0.042 -0.016 -0.121 -0.002 0.063 -0.005 -0.035 0.004 -0.018 -0.012 -0.003 0.149 -0.066 0.015 -0.076 0.080 -0.028 0.004 0.029 -0.029 -0.065 0.034 -0.022 -0.081 0.265 0.014 -0.018 0.014 -0.029 -0.139 -0.165 -0.171 -0.153 0.080 -0.016 -0.101 0.075 -0.056 0.022 0.106 -0.111 0.014 0.140 0.099 0.000 -0.019 0.010 0.056 -0.020 -0.091 0.027 -0.042 0.077 0.017 -0.007 -0.012 0.014 0.006 0.061 0.039 -0.014 0.033 -0.078 0.137 -0.320 0.055 0.153 0.103 0.033 0.062 -0.013 -0.092 0.114 -0.113 -0.041 -0.007 -0.055 0.183 -0.057 -0.010 0.108 -0.041 0.066 -0.026 0.059 -0.131 -0.149 -0.041 -0.020 0.218 -0.033 -0.030 -0.214 -0.141 -0.044 -0.086 0.054 0.108 0.023 0.028 -0.012 0.029 -0.041 -0.031 0.027 -0.043 0.001 -0.022 0.045 0.022 0.041 -0.002 -0.124 -0.014 0.232 -0.030 -0.026 0.034 -0.056 0.014 0.184 -0.057 -0.017 0.047 -0.100 0.022 -0.054 0.003 -0.055 -0.038 -0.002 -0.032 -0.026 0.021 -0.047 -0.030 -0.009 -0.051 -0.034 0.136 0.014 0.009 0.045 0.026 0.024 0.079 0.003 -0.018 0.009 -0.009 0.028 -0.108 -0.061 -0.043 0.060 -0.081 0.092 -0.083 -0.136 0.022 0.190 -0.056 -0.017 -0.035 -0.108 0.091 -0.067 -0.092 0.024 -0.031 -0.003 0.110 -0.122 -0.007 -0.050 -0.028 -0.018 0.294 0.029 -0.043 0.080 -0.086 0.058 -0.019 -0.061 0.060 -0.081 0.017 -0.051 0.017 -0.137 -0.034 -0.155 -0.071 -0.024 -0.137 -0.218 0.029 0.021 -0.019 0.027 -0.049 0.054 0.034 -0.003 -0.059 0.016 -0.025 0.036 0.057 0.092 0.070 0.020 -0.001 -0.004 -0.056 0.023 -0.060 -0.070 -0.148 -0.137 -0.014 -0.100 -0.155 -0.006 -0.062 -0.135 -0.015 -0.019 -0.020 -0.085 0.178 0.024 0.207 -0.005 -0.008 0.006 -0.027 -0.014 -0.045 0.032 -0.022 0.021 -0.023 0.006 0.025 -0.024 0.001 -0.016 -0.021 -0.052 0.146 0.103 0.120 -0.029 -0.322 0.245 -0.030 -0.233 -0.101 0.061 0.069 0.019 -0.066 0.131 0.134 0.106 0.039 0.065 0.016 -0.059 -0.030 -0.114 -0.018 -0.090 -0.023 -0.008 -0.059 -0.009 -0.006 0.003 0.160 0.034 -0.060 -0.071 -0.023 0.089 0.035 -0.003 -0.009 -0.005 -0.110 0.052 0.003 -0.036 -0.020 0.066 -0.007 -0.036 0.161 -0.313 0.136 -0.009 -0.007 -0.009 -0.066 0.102 0.119 0.177 0.077 -0.045 -0.078 -0.005 -0.084 0.008 -0.010 -0.021 -0.048 -0.008 0.010 0.002 -0.009 -0.014 0.008 0.022 -0.002 -0.022 0.022 -0.086 -0.035 0.100 -0.030 -0.016 -0.005 -0.011 -0.084 -0.083 -0.151 0.063 0.155 -0.029 0.002 -0.047 -0.032 -0.008 0.083 -0.086 0.027 0.147 0.045 -0.022 -0.005 0.012 0.003 0.037 0.037 0.007 -0.035 -0.047 0.003 0.005 -0.002 0.014 -0.000 0.030 -0.074 0.043 -0.006 0.029 -0.051 0.043 0.084 0.124 0.054 -0.017 0.093 -0.029 -0.018 0.003 -0.042 -0.095 -0.295 0.149 0.047 0.091 0.059 0.011 -0.043 -0.052 -0.010 -0.027 0.025 -0.064 0.021 -0.037 0.049 -0.001 -0.047 -0.052 -0.033 -0.035 0.077 -0.008 0.107 0.021 0.032 0.069 -0.208 -0.070 0.070 0.021 0.142 -0.058 -0.035 -0.033 -0.038 0.109 -0.072 0.052 0.138 -0.026 0.108 -0.181 -0.032 -0.192 -0.003 -0.125 0.043 -0.012 0.064 0.051 -0.019 -0.054 0.005 -0.109 0.096 0.113 0.057 -0.028 -0.108 0.075 0.016 0.044 0.108 0.146 -0.237 0.030 -0.004 -0.032 0.078 0.047 -0.094 -0.115 -0.032 0.043 0.035 0.060 -0.096 -0.010 0.033 0.023 0.024 0.099 -0.091 -0.180 -0.031 0.202 -0.031 0.034 0.001 0.125 -0.041 0.088 -0.042 0.062 -0.007 0.020 0.153 -0.092 0.104 -0.039 0.175 -0.063 -0.257 -0.035 -0.038 0.098 -0.077 0.058 0.055 0.147 0.058 0.012 0.002 -0.103 0.100 -0.072 0.029 -0.052 0.083 -0.040 0.048 0.020 0.029 -0.006 0.004 -0.062 -0.032 -0.038 -0.002 -0.067 -0.043 0.011 -0.011 0.012 -0.028 0.016 -0.005 -0.011 0.041 0.041 -0.141 -0.013 -0.181 -0.026 0.023 -0.002 -0.037 0.006 -0.040 -0.047 0.004 -0.040 -0.227 -0.045 -0.020 0.060 -0.172 -0.021 0.052 -0.008 -0.036 -0.019 0.018 0.006 -0.198 -0.011 -0.087 0.202 -0.074 -0.052 -0.152 -0.114 -0.098 0.096 0.002 0.017 0.007 0.102 -0.026 -0.134 0.120 -0.023 0.016 0.032 -0.003 -0.147 -0.165 -0.118 -0.014 -0.033 0.080 0.101 -0.021 0.026 0.060 -0.077 0.078 0.146 0.056 0.054 0.018 -0.054 0.093 0.034 0.017 0.013 0.027 0.011 -0.043 -0.121 -0.058 0.082 0.082 -0.038 -0.002 -0.015 -0.028 -0.022 -0.031 0.015 -0.000 -0.056 -0.002 -0.025 -0.192 0.104 -0.001 -0.016 -0.028 0.085 0.079 -0.059 -0.126 0.163 -0.051 -0.000 0.017 0.025 -0.109 0.001 -0.024 0.026 0.013 0.089 -0.020 0.001 -0.014 0.041 0.009 -0.086 0.071 -0.074 0.052 -0.019 0.067 -0.044 0.007 0.025 -0.070 0.068 -0.281 -0.344 -0.079 0.052 0.041 -0.009 0.108 -0.129 0.079 -0.076 -0.067 -0.064 0.002 0.131 0.129 0.012 0.036 -0.022 -0.024 0.031 -0.027 -0.008 0.025 -0.033 -0.000 0.003 0.023 -0.011 0.068 0.016 -0.007 -0.057 0.025 0.074 -0.074 0.112 0.033 0.147 0.093 -0.015 0.108 0.078 0.055 -0.032 0.079 -0.040 0.068 -0.019 0.031 0.117 -0.005 0.197 -0.038 0.004 -0.036 0.052 0.032 -0.087 -0.056 -0.045 0.078 -0.049 0.052 -0.059 -0.056 -0.053 0.118 -0.016 -0.170 -0.023 -0.101 -0.002 0.055 0.041 -0.040 -0.020 0.007 0.122 0.026 0.086 0.017 -0.055 -0.019 0.081 -0.142 -0.103 -0.078 -0.141 -0.036 0.006 -0.189 0.001 -0.126 -0.069 0.100 -0.166 0.012 0.021 0.011 -0.105 -0.002 -0.019 -0.068 -0.033 0.025 -0.012 -0.010 0.024 0.023 0.060 -0.107 0.046 -0.059 0.012 0.181 0.010 -0.077 0.103 0.033 -0.094 0.007 -0.025 0.070 -0.162 0.033 0.211 -0.041 -0.137 0.051 0.043 0.056 0.060 0.026 -0.034 0.045 0.081 -0.020 0.063 0.029 -0.016 0.041 0.007 -0.107 0.037 0.058 -0.036 -0.012 -0.179 0.146 -0.029 0.047 -0.056 0.059 -0.287 -0.342 -0.126 -0.009 -0.135 0.007 0.081 -0.065 0.047 -0.072 -0.031 -0.097 0.104 0.007 0.135 0.002 0.021 -0.026 -0.048 0.009 -0.017 0.014 0.076 -0.005 0.008 0.000 -0.003 0.012 0.026 -0.006 0.029 0.025 -0.011 -0.091 -0.016 0.013 0.115 -0.013 0.092 0.077 -0.014 0.145 0.049 0.019 0.029 0.031 0.073 0.003 0.042 -0.135 -0.035 0.060 -0.012 0.115 -0.016 -0.006 0.075 0.025 -0.062 -0.003 -0.058 0.047 -0.020 -0.120 -0.004 -0.032 0.059 -0.046 0.035 -0.031 -0.073 -0.019 0.127 -0.036 0.064 -0.007 0.033 0.064 -0.005 -0.032 -0.030 0.030 -0.013 0.043 -0.056 0.019 -0.056 -0.155 0.231 -0.156 -0.002 0.063 -0.051 -0.007 -0.016 0.008 -0.114 -0.042 0.062 0.043 0.009 -0.025 0.020 0.025 -0.034 0.030 -0.030 0.061 0.003 -0.116 0.033 -0.005 -0.021 -0.012 0.041 0.013 -0.048 0.206 0.010 0.057 0.043 0.037 0.053 -0.025 0.037 0.036 0.101 0.082 0.004 0.112 -0.018 -0.182 -0.053 0.084 0.046 -0.016 0.093 -0.014 -0.039 0.084 0.041 0.041 0.143 -0.018 -0.016 -0.007 0.012 -0.058 0.106 -0.008 -0.011 0.091 -0.022 0.054 0.064 0.219 0.047 0.109 0.011 0.059 -0.074 0.113 -0.011 -0.116 0.127 -0.124 0.184 -0.176 0.045 -0.004 -0.016 0.011 -0.029 0.020 -0.028 0.003 0.018 0.014 -0.018 -0.005 -0.004 0.029 -0.050 0.011 -0.016 -0.013 -0.048 0.277 -0.262 -0.082 0.155 -0.128 -0.098 0.156 -0.253 -0.058 0.164 0.076 0.004 0.043 -0.008 -0.067 0.101 0.024 -0.046 0.070 -0.002 0.040 -0.014 -0.049 -0.097 0.033 -0.022 0.091 -0.014 -0.110 -0.051 -0.084 -0.016 -0.084 0.025 0.046 0.119 0.096 0.087 0.163 -0.018 0.190 0.007 -0.046 -0.147 0.033 0.071 0.047 0.015 0.011 -0.085 0.097 -0.013 0.001 -0.024 0.091 -0.138 -0.083 -0.201 0.075 0.030 -0.015 -0.029 0.002 0.011 0.012 -0.101 -0.060 0.072 0.083 0.009 -0.217 0.028 -0.054 -0.055 0.037 0.066 -0.043 0.004 0.022 -0.011 -0.084 -0.045 0.086 0.208 -0.024 0.157 0.038 -0.036 0.041 0.028 0.009 -0.033 -0.183 -0.185 0.083 0.238 -0.008 0.005 -0.020 -0.033 -0.030 -0.009 -0.070 -0.018 -0.061 0.019 -0.039 -0.037 -0.115 0.032 -0.007 0.024 0.009 -0.002 -0.305 -0.020 0.027 -0.034 0.061 -0.001 -0.041 -0.092 -0.053 -0.267 0.058 0.018 -0.048 0.109 -0.024 -0.037 -0.056 -0.111 -0.005 -0.005 0.015 0.022 -0.032 0.029 0.025 -0.026 -0.062 0.068 0.058 -0.010 -0.006 0.009 -0.000 0.009 0.052 -0.043 0.037 -0.005 -0.009 0.096 -0.206 -0.087 -0.012 0.019 -0.079 -0.019 -0.043 0.000 -0.004 0.082 0.127 0.019 0.107 0.017 -0.079 -0.046 0.072 -0.035 -0.140 -0.018 0.058 0.037 0.047 -0.052 0.005 0.001 -0.022 0.063 -0.004 0.002 -0.018 0.042 0.011 -0.092 0.060 0.117 0.022 -0.153 -0.079 -0.014 0.004 -0.088 0.023 -0.018 -0.062 -0.030 -0.065 0.041 0.045 -0.054 0.155 -0.046 -0.011 -0.067 0.131 0.103 0.186 -0.054 -0.029 0.011 0.065 0.052 -0.012 -0.032 -0.051 0.006 -0.006 0.176 0.031 -0.358 -0.004 0.032 -0.011 -0.010 -0.023 0.002 -0.015 -0.011 -0.000 0.061 0.045 -0.048 -0.136 -0.071 -0.016 0.081 0.036 -0.023 -0.008 0.017 0.011 0.168 0.093 0.017 0.188 -0.071 -0.046 0.007 0.009 0.045 0.017 -0.044 0.024 0.028 -0.033 0.062 0.008 0.088 0.005 0.015 -0.014 -0.029 0.075 0.278 0.018 -0.006 0.052 -0.017 -0.225 -0.276 -0.129 0.228 -0.045 0.127 -0.070 0.106 0.057 -0.037 0.036 -0.067 0.106 -0.062 -0.010 0.063 -0.009 -0.019 -0.015 -0.017 0.011 -0.090 -0.009 0.022 -0.020 -0.021 0.012 0.030 -0.000 -0.030 -0.003 -0.014 0.034 -0.039 -0.082 0.197 0.077 -0.058 -0.011 0.077 -0.050 0.030 -0.045 -0.031 0.150 -0.142 -0.092 0.019 0.073 -0.052 -0.005 0.004 -0.010 0.071 0.045 -0.050 -0.055 0.045 0.070 0.007 0.046 -0.073 0.022 0.096 0.156 0.082 -0.117 0.016 0.200 0.043 0.136 0.004 -0.055 0.170 -0.068 0.013 -0.149 0.046 -0.067 -0.108 -0.058 0.067 -0.049 -0.067 0.149 0.006 0.125 0.094 0.029 -0.067 -0.173 0.051 -0.132 -0.055 0.124 -0.189 0.081 0.076 -0.019 0.035 -0.004 0.012 -0.005 -0.007 -0.031 -0.010 -0.010 -0.025 0.006 0.017 -0.034 0.054 -0.024 0.033 0.065 0.018 -0.070 -0.118 0.174 -0.024 -0.003 -0.000 0.022 -0.124 -0.087 0.119 0.105 0.004 0.029 0.047 -0.008 -0.037 0.005 -0.058 -0.056 0.017 0.033 -0.005 -0.007 -0.045 -0.076 -0.047 -0.095 0.059 -0.005 -0.012 0.044 -0.404 0.089 -0.042 0.001 -0.060 0.037 0.130 0.224 0.034 0.058 0.049 0.026 0.048 -0.006 0.071 -0.001 0.065 0.045 -0.060 0.069 -0.150 -0.047 0.032 -0.004 -0.014 0.011 -0.017 -0.017 0.004 -0.005 -0.023 0.021 0.011 -0.037 -0.013 -0.023 0.008 -0.068 0.061 0.125 0.044 -0.086 -0.044 0.051 -0.134 -0.045 0.073 -0.177 0.035 0.017 0.083 0.007 0.136 -0.103 0.023 0.070 0.025 0.072 -0.068 0.024 0.035 -0.012 -0.003 0.049 0.010 -0.008 -0.031 0.002 0.035 0.057 0.050 0.035 -0.006 0.005 0.006 0.083 0.174 0.028 -0.038 0.004 0.044 0.018 -0.027 -0.038 -0.031 -0.042 -0.014 0.003 -0.028 -0.017 0.039 0.089 -0.011 -0.010 -0.053 0.049 -0.021 0.037 -0.025 -0.012 0.039 -0.038 -0.265 -0.162 0.097 -0.079 -0.002 -0.007 -0.097 0.034 0.174 0.011 -0.020 -0.027 0.033 0.118 -0.096 0.004 0.019 0.006 -0.045 0.010 0.042 -0.071 -0.004 0.061 -0.056 0.027 0.016 -0.020 -0.020 0.000 -0.131 0.043 0.003 0.096 0.029 -0.118 -0.065 0.165 0.019 0.045 0.047 0.029 -0.074 0.168 0.040 0.133 0.368 -0.131 0.027 -0.044 0.024 -0.101 0.022 -0.013 -0.007 0.266 -0.068 -0.041 -0.014 -0.150 -0.113 0.047 -0.016 0.060 -0.178 0.016 -0.026 0.086 -0.075 0.040 -0.246 -0.004 0.202 -0.105 -0.004 -0.042 -0.014 -0.001 0.016 0.047 0.016 0.039 -0.061 -0.031 0.006 -0.018 -0.013 -0.008 -0.006 0.038 -0.063 -0.079 0.046 -0.030 -0.229 -0.015 0.050 -0.182 0.118 0.031 -0.085 -0.048 -0.005 -0.007 0.051 0.051 0.019 0.001 -0.018 -0.011 0.013 -0.014 -0.027 -0.005 -0.011 0.025 -0.047 -0.096 -0.015 0.074 0.063 0.076 0.054 0.010 -0.024 0.015 0.095 0.121 0.051 0.121 0.118 0.146 -0.003 -0.102 -0.005 -0.049 -0.060 -0.041 0.050 -0.008 -0.013 -0.038 0.121 -0.115 -0.121 0.056 0.017 0.179 0.159 -0.011 -0.023 -0.015 0.204 -0.003 0.144 0.088 -0.060 0.016 0.018 -0.014 -0.016 0.070 0.047 -0.025 0.010 -0.013 -0.025 -0.001 -0.030 -0.023 -0.037 0.106 0.046 -0.093 0.160 0.101 0.096 -0.029 -0.040 0.054 0.007 0.073 -0.006 -0.253 -0.111 -0.023 -0.118 0.038 0.175 0.021 -0.074 -0.031 -0.012 0.013 -0.012 0.023 -0.050 -0.061 -0.018 -0.162 0.045 0.012 -0.014 0.004 0.247 0.236 0.024 0.063 -0.059 0.079 0.025 0.149 -0.200 -0.126 -0.187 -0.041 0.021 0.078 -0.011 -0.070 0.115 -0.119 0.004 0.066 -0.122 -0.046 0.033 -0.064 -0.022 -0.027 0.006 0.042 0.009 0.005 0.002 -0.009 -0.025 -0.007 -0.039 -0.025 -0.019 0.004 0.020 -0.062 0.076 -0.066 0.009 0.051 -0.098 0.008 0.076 -0.121 0.021 0.094 -0.019 0.112 0.152 0.106 -0.047 -0.040 -0.039 -0.074 -0.027 0.038 -0.017 0.080 0.028 0.083 -0.029 0.066 -0.002 0.008 0.007 -0.011 0.003 -0.029 0.019 0.024 0.001 -0.006 0.027 -0.016 -0.049 0.083 -0.019 0.005 -0.032 0.030 -0.007 -0.009 -0.015 0.019 0.036 -0.008 0.022 0.172 -0.087 -0.029 -0.051 0.091 -0.130 -0.087 -0.038 0.024 -0.017 -0.130 -0.085 0.092 0.101 0.036 -0.019 0.006 0.064 0.034 -0.016 0.020 -0.019 -0.044 -0.031 -0.056 0.070 0.017 0.006 0.009 -0.010 -0.028 -0.007 -0.072 0.071 -0.018 -0.026 -0.111 0.012 -0.008 -0.016 0.017 -0.184 0.021 -0.065 -0.117 -0.014 0.123 -0.057 0.146 0.098 -0.068 0.009 -0.067 -0.059 0.087 0.160 0.090 0.059 0.120 -0.065 0.069 -0.052 -0.177 -0.120 -0.046 0.101 0.080 0.143 0.068 -0.004 0.263 -0.048 -0.125 0.001 -0.085 0.128 -0.073 0.085 -0.073 0.179 0.004 0.235 0.188 0.246 -0.075 -0.122 0.032 0.056 -0.012 0.008 -0.037 0.008 -0.047 -0.095 -0.046 -0.007 0.022 -0.010 0.004 -0.020 0.008 -0.039 -0.060 0.141 0.074 0.238 0.166 -0.031 0.174 0.093 -0.045 0.047 -0.059 -0.012 0.069 0.008 -0.009 0.068 -0.032 -0.000 0.015 0.009 0.018 -0.029 0.025 0.039 0.001 0.045 0.009 0.011 -0.075 -0.037 -0.002 -0.027 -0.027 -0.011 0.054 -0.032 -0.020 -0.012 -0.093 -0.018 -0.048 -0.008 -0.091 0.033 0.054 0.022 0.034 0.018 0.007 -0.031 0.123 -0.093 0.039 0.095 -0.090 -0.107 0.097 0.152 -0.055 -0.055 0.029 0.123 -0.095 -0.164 -0.070 0.003 0.005 0.012 -0.011 0.002 0.005 0.031 0.002 -0.051 -0.051 -0.093 0.069 -0.016 -0.039 -0.017 0.142 0.028 -0.080 -0.057 -0.009 -0.069 -0.020 0.043 -0.009 -0.038 0.047 0.050 -0.255 -0.180 0.049 0.052 0.021 0.071 0.021 0.091 0.026 -0.080 -0.126 -0.018 0.044 0.056 0.051 -0.031 0.022 -0.124 0.004 0.012 -0.114 0.260 0.352 0.041 -0.051 0.019 -0.098 0.098 0.056 0.338 -0.160 -0.195 -0.022 0.018 -0.023 0.031 0.081 -0.097 0.217 0.085 0.011 0.062 -0.058 -0.038 0.116 -0.010 0.022 0.004 -0.006 0.038 0.026 0.026 0.048 -0.003 -0.035 0.028 -0.001 -0.002 -0.004 0.002 0.104 -0.083 -0.022 0.096 -0.007 0.022 0.072 -0.015 0.029 0.055 -0.058 0.009 -0.050 -0.044 -0.091 0.000 -0.063 -0.003 0.005 0.024 -0.072 0.042 0.050 -0.088 0.023 0.049 0.059 0.063 -0.008 -0.095 0.020 -0.010 0.006 -0.081 0.030 0.015 0.002 -0.034 -0.001 0.105 0.068 0.025 0.006 -0.037 0.006 0.054 0.066 0.050 -0.006 -0.006 -0.044 0.061 -0.074 0.114 -0.048 -0.019 -0.169 0.129 0.109 -0.007 -0.039 0.020 0.167 0.084 0.161 0.035 -0.034 -0.005 0.025 -0.020 0.020 0.027 -0.050 0.004 -0.015 -0.001 0.056 -0.039 -0.023 -0.022 -0.034 0.085 0.015 -0.027 0.126 0.063 -0.003 -0.006 -0.063 0.022 -0.018 0.068 0.016 0.266 0.103 0.015 0.032 -0.006 -0.093 -0.032 -0.031 0.019 0.002 -0.040 0.037 -0.101 0.012 0.029 0.039 -0.045 0.197 0.033 -0.020 -0.027 0.340 0.244 0.030 0.081 -0.026 0.159 0.129 0.096 0.192 0.121 0.206 0.025 0.023 -0.044 0.014 0.081 -0.059 0.108 0.044 -0.151 0.095 0.169 -0.022 -0.119 -0.039 0.001 0.009 0.008 0.001 -0.025 -0.063 -0.066 -0.016 -0.015 0.013 0.041 0.012 0.023 -0.016 -0.047 -0.015 -0.161 0.014 -0.167 0.040 0.064 -0.137 0.143 0.008 0.024 -0.014 0.116 0.082 -0.018 0.040 -0.011 0.040 0.039 -0.008 -0.094 0.087 -0.067 -0.117 -0.049 0.117 -0.050 0.158 -0.116 0.037 0.089 0.096 0.094 -0.069 0.038 0.153 -0.100 -0.203 -0.031 -0.050 -0.071 -0.119 -0.017 0.090 0.047 0.033 0.089 0.046 0.015 0.010 -0.010 0.021 -0.082 0.103 0.048 0.049 0.159 0.058 -0.003 0.027 -0.018 0.001 0.049 -0.065 -0.056 0.034 0.034 0.034 0.009 -0.018 -0.030 -0.048 0.010 0.001 0.065 -0.033 -0.082 0.029 -0.006 -0.018 -0.010 0.064 0.010 -0.045 -0.050 -0.064 -0.110 -0.001 0.025 -0.003 0.010 0.012 -0.003 -0.019 -0.050 0.012 0.001 0.006 0.024 -0.056 -0.003 -0.094 -0.016 -0.134 0.003 -0.117 0.057 -0.105 0.057 0.181 -0.052 -0.018 0.046 -0.092 0.210 0.050 0.022 0.004 0.154 0.000 0.054 0.186 -0.330 0.020 -0.087 0.020 0.015 -0.019 0.033 -0.140 0.057 -0.212 -0.060 0.159 -0.090 0.192 -0.049 -0.043 -0.003 0.046 -0.020 -0.028 0.011 -0.003 -0.007 -0.050 0.002 -0.018 -0.029 0.018 0.029 0.037 -0.031 0.017 0.033 0.116 -0.013 0.137 -0.071 -0.093 0.147 -0.100 -0.004 -0.039 0.078 -0.101 -0.071 -0.042 0.056 -0.119 -0.028 0.136 -0.113 0.090 -0.005 0.050 0.068 0.043 -0.048 0.042 0.041 -0.009 -0.018 -0.034 -0.058 -0.073 0.048 0.009 -0.116 0.041 0.029 0.019 0.069 -0.036 0.037 -0.014 -0.053 -0.010 -0.010 -0.016 -0.014 -0.083 0.031 0.045 0.023 -0.204 0.097 0.138 0.038 0.116 0.015 0.036 0.013 -0.016 0.052 0.011 0.013 0.019 -0.025 0.048 0.022 -0.002 -0.012 -0.019 0.025 -0.001 0.015 0.013 0.033 0.015 -0.071 0.008 0.013 0.011 -0.034 0.007 0.024 0.050 -0.058 0.034 0.012 -0.021 -0.005 -0.005 -0.033 -0.009 -0.042 -0.099 0.024 -0.080 0.006 0.070 -0.011 0.099 0.111 0.083 -0.058 0.056 0.010 0.036 0.162 -0.005 -0.052 0.072 0.032 0.006 -0.022 -0.010 0.033 0.017 0.028 -0.026 0.059 -0.319 -0.431 0.074 -0.051 -0.051 -0.031 0.009 0.069 0.003 0.020 -0.002 0.063 -0.096 -0.075 -0.346 0.074 -0.042 -0.006 -0.011 0.033 -0.019 0.004 -0.011 0.003 -0.032 -0.014 -0.015 -0.000 0.024 -0.008 -0.017 -0.009 -0.004 0.140 0.040 0.177 -0.108 -0.086 -0.265 -0.102 -0.020 -0.272 0.046 -0.048 0.058 0.055 -0.049 0.065 0.094 -0.110 -0.014 0.022 0.005 0.002 -0.028 0.027 -0.010 -0.016 -0.005 0.007 0.029 -0.038 0.104 0.005 0.047 0.016 0.065 0.001 0.028 -0.042 -0.071 0.004 -0.159 -0.199 -0.043 -0.028 -0.003 0.006 0.016 -0.030 -0.040 -0.031 0.033 0.080 0.009 0.053 -0.056 0.083 0.149 -0.052 0.011 0.041 0.002 -0.031 0.066 0.015 0.211 0.213 0.029 0.043 -0.025 -0.053 0.005 0.061 0.049 0.053 0.035 0.014 0.034 -0.004 -0.038 0.012 -0.001 0.015 -0.033 0.011 -0.011 -0.115 -0.162 -0.024 0.064 0.045 -0.094 -0.003 -0.049 -0.006 -0.313 -0.076 0.019 0.136 -0.000 -0.032 -0.006 -0.126 -0.004 0.019 0.058 0.002 -0.027 -0.100 -0.023 -0.043 -0.024 -0.027 0.016 -0.013 -0.000 -0.059 0.040 0.019 0.006 0.041 -0.003 0.071 0.101 0.137 -0.227 -0.073 -0.070 -0.116 -0.197 -0.161 0.025 -0.020 0.080 -0.045 -0.089 0.026 -0.013 0.059 -0.117 -0.001 -0.004 0.004 0.001 0.032 0.036 -0.023 -0.052 0.006 -0.017 0.007 -0.008 -0.017 -0.005 -0.007 0.006 0.118 -0.151 -0.059 -0.097 -0.023 -0.025 -0.085 0.043 -0.093 -0.171 -0.299 -0.196 -0.209 -0.073 0.033 0.078 0.018 0.039 -0.043 0.110 0.042 0.078 -0.027 0.139 0.088 0.048 0.281 -0.198 0.039 0.056 0.109 0.029 -0.031 0.048 0.024 -0.016 -0.080 0.022 0.024 -0.014 0.068 -0.043 -0.156 -0.080 -0.039 -0.025 -0.055 0.016 0.010 -0.038 -0.078 -0.052 -0.069 -0.040 0.034 -0.083 0.001 -0.056 0.027 0.034 -0.053 0.039 0.037 -0.113 -0.148 -0.019 -0.036 0.017 -0.033 0.020 0.043 -0.004 0.115 -0.017 0.003 0.013 0.061 -0.002 0.002 -0.009 -0.032 -0.003 -0.033 0.086 -0.008 0.033 0.014 0.046 0.050 0.012 -0.011 -0.028 -0.031 -0.038 -0.008 -0.014 0.012 0.054 0.060 0.072 0.168 0.004 0.162 -0.025 0.032 0.087 0.179 0.000 0.018 0.066 -0.004 -0.045 0.203 -0.056 -0.145 -0.020 -0.011 -0.029 0.009 -0.295 -0.304 -0.050 -0.030 -0.031 -0.022 0.055 0.014 0.048 -0.119 -0.042 -0.019 0.079 0.056 0.064 0.126 -0.084 0.074 0.045 -0.098 0.023 0.002 0.013 -0.011 -0.040 0.015 -0.004 -0.037 -0.001 -0.034 -0.043 -0.002 -0.028 0.005 0.057 -0.017 0.069 0.091 0.063 0.118 0.035 -0.020 0.037 0.054 0.049 0.022 -0.002 -0.004 -0.179 0.137 0.053 0.261 -0.194 0.087 -0.040 -0.032 0.070 0.075 -0.046 0.022 0.266 -0.198 0.356 0.011 0.137 0.026 0.031 -0.036 0.010 0.039 0.024 0.000 0.064 0.017 0.030 -0.032 -0.002 -0.031 -0.150 0.045 0.002 0.044 -0.032 -0.028 -0.015 0.019 -0.009 -0.070 -0.058 -0.044 0.035 -0.052 0.068 0.006 -0.005 -0.005 -0.043 0.048 0.100 -0.004 0.022 0.022 0.019 -0.022 -0.022 -0.018 -0.043 -0.003 0.010 0.003 0.001 -0.004 0.008 -0.004 -0.000 -0.018 0.076 0.054 0.004 0.017 0.004 -0.015 -0.003 0.011 0.014 -0.012 0.062 0.056 -0.010 -0.016 -0.009 -0.044 -0.016 0.050 -0.017 -0.050 -0.130 -0.003 0.039 -0.002 -0.022 0.005 -0.007 -0.075 -0.002 0.025 -0.139 0.142 -0.104 0.003 -0.008 -0.004 -0.050 -0.115 -0.188 0.158 0.037 0.062 0.007 -0.017 0.019 0.000 0.021 -0.059 0.114 -0.035 -0.110 0.012 -0.184 0.056 -0.013 -0.003 0.058 0.006 0.005 -0.018 0.000 0.038 -0.005 0.002 -0.015 0.021 -0.062 -0.005 0.034 -0.026 -0.073 -0.060 -0.043 -0.038 -0.131 0.008 -0.050 -0.102 0.062 -0.014 0.022 0.003 0.062 0.032 0.037 -0.009 -0.155 -0.050 0.301 -0.197 0.423 0.081 0.111 -0.044 -0.010 -0.021 -0.013 -0.043 0.035 -0.063 -0.015 -0.054 -0.031 -0.061 0.083 0.030 -0.040 -0.054 -0.008 -0.064 -0.038 -0.009 0.008 -0.071 -0.029 0.041 -0.024 -0.004 -0.009 0.048 -0.052 -0.021 -0.152 0.003 0.103 0.000 -0.079 -0.032 -0.001 -0.015 0.022 -0.043 -0.035 -0.024 0.192 0.286 -0.057 0.035 0.056 -0.053 -0.177 -0.059 0.003 0.095 -0.025 -0.021 -0.002 0.045 -0.005 0.007 0.009 -0.015 0.021 -0.011 -0.049 -0.021 0.004 0.087 0.071 0.082 0.019 -0.000 -0.012 0.029 -0.078 0.001 -0.147 0.055 -0.056 -0.134 0.105 -0.028 -0.009 -0.023 0.004 -0.085 0.034 0.014 0.074 0.099 -0.233 -0.006 -0.003 0.047 -0.098 -0.019 -0.009 0.008 0.093 -0.134 -0.133 -0.165 -0.071 -0.023 -0.023 -0.031 0.152 0.140 0.213 -0.026 0.037 -0.011 0.111 -0.005 0.032 -0.305 0.114 -0.152 0.017 -0.026 0.004 -0.008 0.005 0.012 0.070 -0.124 0.002 0.011 0.001 0.009 -0.010 -0.030 0.002 0.083 -0.003 0.014 0.079 0.029 0.040 0.134 0.000 0.008 0.121 0.117 0.324 -0.037 -0.059 -0.060 -0.080 -0.073 -0.014 -0.058 0.037 -0.076 -0.068 0.006 0.056 -0.087 -0.155 -0.004 -0.041 0.012 0.222 0.000 -0.021 -0.032 0.000 -0.014 -0.058 0.064 0.066 0.036 0.003 0.041 -0.018 -0.013 0.027 -0.003 -0.022 0.091 0.070 0.036 -0.079 -0.065 -0.009 -0.021 0.060 0.273 -0.167 -0.136 0.015 -0.072 0.023 0.042 -0.113 0.023 0.127 0.063 -0.062 0.026 -0.020 -0.056 -0.022 0.051 0.052 -0.070 -0.044 0.014 -0.018 0.033 -0.009 -0.015 -0.017 -0.019 0.054 0.020 -0.056 -0.002 -0.001 -0.051 -0.001 0.026 -0.059 0.016 0.017 -0.020 -0.133 0.014 0.026 0.044 -0.011 0.028 -0.020 -0.087 -0.064 0.029 0.118 -0.007 -0.018 -0.103 -0.048 0.006 0.233 -0.101 -0.046 -0.014 0.132 0.153 -0.073 -0.014 -0.052 0.182 -0.083 -0.019 -0.110 0.024 -0.058 -0.031 0.010 0.073 0.022 0.113 0.090 0.034 0.027 0.078 0.211 -0.066 0.117 -0.011 -0.044 -0.021 -0.040 -0.002 -0.017 0.007 0.015 -0.011 -0.009 -0.014 0.027 0.017 -0.001 -0.001 0.049 0.004 0.235 -0.169 0.039 0.103 0.221 0.004 0.065 0.170 -0.167 0.098 -0.014 0.151 0.064 -0.014 -0.011 -0.007 0.158 0.056 -0.025 0.006 0.224 -0.027 0.014 0.043 -0.087 -0.039 -0.055 -0.099 0.046 -0.007 -0.033 0.000 0.011 0.045 -0.015 0.035 -0.033 0.045 -0.043 0.042 0.073 0.060 0.023 -0.083 -0.025 -0.115 -0.078 -0.045 0.118 0.006 -0.026 -0.101 -0.078 -0.074 -0.095 -0.095 -0.185 -0.034 -0.010 0.007 0.020 -0.011 -0.097 0.179 0.012 -0.162 0.005 0.095 0.102 -0.026 -0.062 0.013 0.044 0.049 0.056 -0.015 -0.095 0.078 0.005 0.014 0.012 -0.009 -0.018 0.089 0.021 0.084 0.075 0.049 0.076 -0.011 0.013 0.007 0.000 -0.093 0.048 -0.062 -0.084 0.010 -0.028 0.049 -0.162 0.008 -0.098 -0.192 -0.016 0.002 -0.092 -0.016 0.002 0.272 -0.018 0.029 0.035 -0.173 -0.152 -0.076 -0.007 -0.072 0.169 -0.063 -0.043 0.015 -0.056 -0.070 0.011 -0.042 0.057 0.034 0.127 -0.039 0.052 -0.031 0.008 -0.153 0.036 0.226 -0.050 -0.007 0.023 0.059 0.014 -0.003 -0.018 0.009 -0.045 0.012 -0.007 0.016 0.000 -0.008 -0.007 -0.039 0.005 -0.075 -0.080 -0.125 -0.004 -0.168 0.028 -0.003 -0.161 0.061 0.041 0.061 0.169 0.086 0.079 -0.020 -0.164 -0.316 -0.111 -0.074 0.043 -0.048 -0.042 0.035 0.073 -0.116 -0.186 -0.062 -0.100 0.034 0.155 -0.016 -0.010 -0.016 -0.061 0.041 0.052 0.044 -0.123 0.098 -0.018 0.000 0.040 -0.025 -0.057 0.022 0.060 -0.032 -0.132 0.101 -0.006 -0.097 -0.058 -0.042 -0.037 0.146 -0.047 -0.111 0.065 0.048 0.011 -0.155 0.350 0.187 -0.131 -0.107 0.029 0.069 -0.028 0.048 -0.008 -0.056 -0.040 -0.017 0.023 0.001 -0.029 -0.076 0.055 0.062 -0.012 -0.004 -0.158 -0.046 -0.156 -0.031 -0.050 0.009 0.029 -0.036 0.025 -0.073 -0.129 0.022 0.097 -0.030 0.002 -0.051 0.011 -0.021 -0.058 0.036 -0.024 -0.002 0.048 -0.061 -0.027 0.019 -0.019 0.022 -0.106 0.110 -0.036 0.048 0.106 -0.012 0.035 0.019 0.045 -0.087 0.097 -0.004 -0.054 -0.166 0.050 0.003 -0.001 -0.013 0.026 -0.007 0.007 0.061 -0.073 -0.267 -0.088 0.191 0.064 -0.018 0.013 0.042 0.016 -0.038 -0.005 -0.002 -0.006 0.008 0.004 0.008 0.046 0.004 -0.018 -0.011 0.043 -0.008 0.068 -0.076 -0.038 -0.216 -0.118 -0.004 -0.201 -0.097 0.124 0.039 -0.074 0.010 0.038 -0.043 0.011 -0.098 0.030 -0.028 -0.100 0.043 0.159 -0.001 0.020 -0.012 -0.124 -0.104 -0.068 -0.082 0.025 0.129 -0.020 0.040 0.025 -0.011 0.015 0.085 -0.064 -0.005 -0.054 -0.041 -0.045 -0.037 0.014 -0.051 -0.020 -0.099 -0.020 0.006 0.004 0.021 0.042 -0.003 -0.060 0.006 0.118 0.061 -0.224 -0.027 -0.016 0.031 0.090 -0.183 -0.101 -0.229 -0.115 0.080 0.112 0.024 -0.090 0.014 0.066 -0.036 0.018 0.065 0.023 0.029 0.057 -0.034 -0.031 0.014 0.013 0.046 0.048 0.071 -0.023 -0.004 -0.006 -0.034 0.031 0.073 0.036 0.032 -0.031 0.150 -0.180 0.060 0.056 -0.014 0.107 -0.069 -0.019 -0.103 -0.010 0.022 0.035 -0.073 0.027 -0.140 0.009 -0.350 0.207 0.005 -0.018 -0.056 -0.066 -0.058 0.013 0.143 -0.216 0.202 0.102 0.128 -0.002 0.078 -0.082 0.001 -0.063 0.011 -0.060 0.032 0.037 -0.005 0.159 -0.069 -0.060 0.091 -0.025 0.005 -0.032 0.011 0.037 -0.012 0.010 -0.031 0.011 -0.001 -0.003 0.017 0.007 -0.015 0.003 -0.014 -0.006 0.084 0.054 -0.233 0.099 -0.055 -0.003 0.151 -0.059 -0.009 -0.041 0.020 -0.113 -0.029 -0.062 -0.123 -0.034 0.006 0.031 -0.042 0.019 0.099 -0.041 0.011 0.148 0.094 0.053 -0.023 0.003 0.013 -0.106 -0.045 -0.042 0.007 -0.067 -0.002 0.096 -0.056 0.074 -0.065 -0.040 -0.010 -0.037 0.049 0.020 -0.055 -0.059 0.067 0.134 0.106 -0.075 -0.098 -0.040 0.006 0.002 0.126 -0.004 -0.152 0.015 -0.017 -0.015 -0.007 -0.010 0.011 0.047 0.080 0.001 0.067 -0.013 -0.028 0.028 0.055 0.020 -0.010 -0.026 0.045 0.008 0.028 -0.020 -0.003 -0.013 -0.017 0.073 -0.005 0.042 -0.043 0.005 -0.020 0.060 -0.008 -0.030 -0.021 0.037 0.031 -0.056 0.017 -0.001 0.039 -0.022 0.003 -0.007 0.206 0.248 -0.025 0.003 -0.017 0.012 0.169 0.288 -0.020 -0.059 0.038 -0.001 -0.002 -0.055 0.182 0.039 -0.019 0.010 -0.045 0.009 -0.297 -0.340 -0.372 -0.031 0.017 -0.026 -0.085 -0.035 -0.078 -0.173 0.041 -0.167 -0.050 0.025 0.067 -0.103 -0.006 0.008 -0.018 0.020 0.003 0.001 -0.011 0.004 -0.012 -0.001 -0.018 0.049 -0.024 -0.016 0.016 -0.014 0.026 0.111 -0.001 -0.071 -0.025 -0.009 0.052 -0.055 -0.000 0.044 -0.037 -0.055 -0.143 -0.038 -0.025 -0.064 -0.040 0.012 0.003 -0.007 0.014 -0.112 -0.003 0.055 0.034 -0.068 -0.199 0.008 -0.084 0.036 0.115 0.017 -0.054 -0.091 -0.083 0.070 0.096 -0.078 0.033 -0.079 0.009 0.015 -0.001 0.051 -0.097 -0.101 -0.091 0.058 0.109 0.050 -0.018 -0.143 0.090 -0.144 0.122 -0.199 0.038 0.229 0.007 -0.038 -0.018 0.010 -0.026 0.037 0.009 -0.021 0.001 -0.125 -0.025 0.080 0.001 0.006 -0.002 0.012 0.054 -0.026 -0.004 -0.004 0.036 -0.005 -0.005 -0.026 0.094 -0.027 0.058 0.015 0.021 -0.010 0.029 -0.011 -0.028 -0.048 0.044 0.040 0.054 -0.021 0.030 0.046 0.010 -0.049 -0.005 -0.046 -0.012 -0.023 -0.021 -0.014 0.027 -0.071 -0.007 0.010 0.005 -0.011 0.001 -0.004 0.026 0.182 -0.010 -0.043 -0.008 -0.006 -0.001 -0.307 -0.435 -0.048 -0.011 0.053 -0.002 -0.076 -0.150 -0.142 0.063 0.136 0.039 -0.039 0.119 -0.006 0.013 0.020 -0.011 0.031 -0.025 -0.002 0.012 0.018 -0.006 0.009 -0.000 0.011 0.014 0.020 -0.013 0.007 -0.027 0.009 -0.242 0.010 0.111 0.008 0.101 0.034 -0.063 0.091 -0.034 -0.079 -0.119 -0.204 -0.030 0.050 0.048 -0.097 -0.037 0.002 -0.057 0.033 0.091 -0.057 0.004 0.030 -0.043 -0.063 -0.046 -0.010 -0.004 0.120 -0.018 0.043 0.033 -0.056 -0.003 0.075 -0.024 0.023 -0.028 -0.095 -0.150 -0.067 0.017 0.072 -0.038 0.008 0.040 0.070 -0.076 -0.018 0.044 0.071 0.103 -0.018 0.078 0.226 -0.006 0.007 0.006 -0.003 0.020 -0.044 -0.012 0.007 -0.024 -0.092 -0.135 -0.020 0.029 -0.020 -0.355 -0.117 -0.001 -0.040 -0.055 0.014 0.051 -0.035 -0.009 0.004 -0.003 0.047 0.011 0.040 -0.041 -0.088 -0.038 0.026 -0.037 -0.067 -0.003 0.023 0.006 -0.064 0.035 0.043 -0.270 0.122 -0.221 0.024 0.015 0.106 0.007 -0.009 0.019 0.024 0.020 0.115 -0.061 -0.088 0.202 0.078 -0.051 -0.040 0.110 0.057 0.006 0.009 -0.075 0.095 0.188 0.153 -0.051 -0.050 0.031 0.038 0.120 0.085 0.057 0.045 -0.024 -0.041 0.008 0.002 0.037 0.110 -0.049 0.037 -0.011 -0.021 0.008 0.053 0.027 0.074 -0.039 0.041 -0.015 0.017 -0.003 -0.018 0.012 -0.001 0.005 0.195 0.271 -0.123 -0.015 0.017 0.038 0.058 0.019 0.012 0.083 0.087 0.090 -0.182 -0.122 -0.079 0.102 0.053 0.032 0.025 -0.012 0.115 0.022 -0.020 -0.021 0.039 0.089 0.042 0.073 -0.011 -0.039 0.004 -0.002 -0.006 0.100 -0.044 -0.107 -0.124 0.167 -0.153 -0.003 -0.034 -0.020 0.072 0.035 -0.167 -0.094 0.093 0.224 -0.043 0.003 0.066 -0.094 0.059 -0.089 0.116 0.025 0.002 0.039 -0.021 -0.064 -0.060 0.126 0.096 -0.071 -0.047 0.032 0.083 -0.030 -0.065 -0.013 0.018 0.020 -0.007 0.036 0.006 0.046 0.024 -0.044 0.018 -0.003 -0.042 0.030 -0.095 0.155 -0.032 -0.046 -0.018 0.007 0.024 0.051 -0.090 0.054 0.087 -0.013 0.003 -0.025 -0.033 -0.005 0.040 -0.008 -0.123 -0.243 0.019 0.047 -0.013 -0.018 -0.111 -0.287 0.012 0.006 -0.007 0.093 -0.057 -0.032 0.306 0.046 -0.084 0.012 0.017 0.012 -0.170 -0.132 0.147 0.004 -0.025 -0.012 0.067 0.112 0.081 -0.017 0.003 0.086 -0.235 0.026 0.099 0.050 0.008 -0.013 0.014 -0.031 -0.003 -0.012 -0.006 -0.003 0.008 -0.005 0.010 -0.022 0.006 0.005 0.002 -0.062 0.027 0.073 0.006 -0.003 -0.168 -0.025 0.074 -0.208 -0.016 -0.010 0.060 0.057 0.158 0.014 -0.057 -0.010 0.023 0.092 0.038 0.125 -0.046 -0.091 -0.002 -0.044 0.039 0.084 0.116 0.051 0.068 -0.008 -0.101 -0.014 -0.008 0.006 0.081 -0.052 -0.128 -0.031 0.058 -0.011 0.016 0.066 0.039 0.034 -0.030 -0.077 0.011 0.004 0.028 0.092 -0.051 -0.077 -0.064 0.003 0.017 0.010 -0.100 -0.046 -0.021 -0.023 -0.001 0.026 -0.044 0.019 -0.068 -0.031 0.041 0.064 0.029 -0.052 0.031 -0.255 -0.172 -0.019 0.011 0.059 -0.091 -0.128 0.086 0.004 -0.010 -0.008 0.001 0.031 -0.073 0.007 0.027 0.012 0.038 -0.009 -0.035 -0.025 -0.022 0.005 -0.039 -0.086 0.122 -0.105 0.087 -0.185 -0.024 -0.051 -0.169 0.011 0.047 -0.020 -0.039 -0.027 -0.216 -0.012 -0.050 0.028 -0.065 0.088 0.240 -0.109 -0.075 -0.013 0.024 -0.006 0.040 -0.235 -0.209 0.099 -0.023 -0.037 0.037 -0.152 -0.119 -0.188 -0.046 -0.001 0.063 0.141 -0.040 -0.098 0.033 0.005 -0.008 -0.016 0.050 -0.017 0.039 0.036 0.048 0.002 -0.004 0.011 -0.010 0.002 0.006 -0.002 0.009 0.025 -0.130 -0.156 -0.042 0.123 -0.038 -0.084 0.087 -0.025 0.012 -0.085 -0.139 -0.303 0.066 0.039 0.047 -0.081 -0.023 -0.040 0.075 -0.024 -0.125 -0.042 -0.042 0.100 0.021 -0.031 0.026 0.083 0.001 0.104 -0.018 -0.022 -0.024 -0.002 -0.030 0.013 -0.177 -0.032 -0.017 -0.036 0.002 0.058 0.098 0.145 -0.355 0.343 -0.035 0.025 0.022 -0.035 -0.064 -0.008 0.011 -0.024 0.008 0.145 0.027 -0.036 0.076 -0.045 -0.042 0.025 -0.084 -0.022 0.013 0.006 -0.082 0.033 0.068 -0.005 0.135 0.102 -0.004 -0.031 -0.019 -0.077 -0.130 0.059 -0.008 -0.009 0.022 -0.035 0.068 -0.126 -0.004 0.022 0.075 0.027 0.001 -0.020 0.114 0.026 -0.039 0.009 0.071 -0.071 0.045 -0.045 0.075 0.007 -0.053 -0.051 -0.014 -0.054 -0.003 0.013 -0.056 -0.070 -0.013 -0.063 0.070 0.042 0.040 0.058 -0.243 0.103 0.028 0.023 -0.039 0.047 -0.249 -0.329 -0.054 0.004 0.053 -0.041 0.079 0.030 0.083 -0.020 0.027 0.002 0.123 -0.054 -0.011 0.025 -0.003 -0.006 -0.021 0.029 -0.016 -0.009 -0.023 -0.023 -0.008 0.007 -0.005 0.004 0.002 -0.009 -0.025 -0.012 0.060 0.054 0.158 -0.125 0.061 -0.014 -0.044 0.153 0.012 0.086 0.018 0.109 0.098 -0.059 0.018 0.026 0.016 -0.077 -0.045 0.153 -0.059 0.048 0.011 -0.044 0.102 0.110 -0.043 0.126 0.046 -0.003 -0.103 0.088 -0.111 -0.158 -0.100 0.008 0.053 0.112 -0.026 0.061 -0.062 -0.061 -0.036 -0.061 0.011 0.160 -0.035 -0.003 -0.036 0.030 -0.003 -0.082 -0.031 0.041 -0.047 0.005 0.106 -0.012 -0.001 0.007 0.024 0.016 -0.035 -0.012 -0.041 -0.035 0.004 -0.004 -0.041 0.036 0.008 0.021 0.043 0.002 -0.018 -0.001 0.028 0.107 -0.037 -0.005 -0.002 0.010 0.015 0.029 -0.033 -0.034 -0.034 -0.026 0.117 -0.037 0.005 0.008 -0.022 -0.015 -0.085 0.078 -0.058 -0.031 -0.012 -0.002 0.012 -0.091 -0.191 -0.009 -0.002 -0.001 0.032 -0.140 -0.208 -0.025 -0.020 0.046 -0.069 -0.001 -0.077 0.035 0.040 0.036 -0.008 -0.008 0.033 -0.506 -0.474 -0.049 -0.040 0.032 -0.043 0.029 0.036 0.037 -0.154 0.131 0.089 0.042 -0.011 0.029 0.045 0.011 -0.002 -0.003 0.005 0.010 0.005 -0.019 0.006 -0.007 0.010 0.012 -0.004 0.017 -0.004 0.005 0.019 -0.016 0.020 0.106 -0.128 0.014 0.003 0.006 0.066 0.016 0.061 -0.012 0.101 0.028 -0.104 -0.047 -0.040 -0.015 -0.013 -0.007 -0.041 0.054 0.004 0.008 0.014 -0.010 0.044 -0.037 0.058 0.026 -0.007 0.003 0.067 -0.041 -0.077 -0.017 0.015 0.014 -0.078 -0.097 0.039 0.091 0.135 0.064 0.034 -0.037 -0.147 0.178 -0.098 -0.132 -0.019 -0.029 0.016 -0.008 0.002 0.043 0.039 -0.179 -0.051 0.006 0.106 0.026 -0.049 0.019 -0.155 -0.003 -0.011 0.002 0.031 -0.047 -0.112 0.018 -0.112 -0.088 -0.013 0.017 0.031 0.101 0.132 -0.096 -0.029 0.010 0.051 0.004 0.053 -0.057 0.050 0.101 0.056 -0.042 0.004 0.039 0.184 0.058 -0.076 -0.018 -0.051 0.089 -0.039 0.043 -0.074 -0.005 -0.001 -0.036 -0.024 -0.003 0.024 0.012 -0.025 -0.035 0.009 0.052 -0.042 0.163 -0.142 -0.300 -0.151 0.153 0.098 -0.013 0.037 -0.028 -0.134 -0.095 -0.005 -0.004 -0.033 0.051 -0.099 -0.037 -0.114 -0.036 0.051 0.013 -0.195 0.163 0.065 0.000 0.004 0.004 -0.011 -0.066 0.046 0.019 0.022 0.027 0.007 0.000 0.003 -0.014 0.006 -0.002 -0.015 0.021 0.021 -0.056 -0.212 0.094 -0.137 0.134 0.065 -0.187 0.089 -0.104 -0.027 -0.095 -0.165 0.180 0.099 0.024 0.044 0.120 0.120 0.036 -0.026 -0.016 0.032 -0.009 -0.192 0.058 -0.144 0.157 0.023 -0.001 0.032 0.230 -0.123 -0.244 0.061 -0.036 0.051 0.197 0.107 0.059 -0.018 -0.006 -0.024 -0.092 0.176 0.116 0.015 0.015 0.055 0.067 -0.082 0.015 -0.045 0.032 -0.031 0.080 0.006 -0.049 -0.021 -0.008 0.011 0.029 -0.043 -0.060 -0.016 0.031 0.015 -0.054 0.105 0.008 -0.017 0.001 -0.014 0.005 0.010 0.023 -0.109 -0.315 0.111 -0.008 0.017 -0.003 0.074 0.016 0.071 -0.024 0.015 -0.005 -0.127 0.088 -0.045 0.035 0.056 -0.009 0.103 -0.060 0.047 0.035 0.013 0.004 0.000 0.062 0.084 -0.030 -0.052 -0.017 0.003 0.017 0.129 -0.019 -0.129 0.026 0.366 -0.046 0.126 -0.117 -0.096 -0.024 0.051 -0.063 0.024 0.074 0.249 -0.035 0.037 0.005 0.027 0.016 -0.035 -0.024 -0.017 0.099 -0.066 -0.110 -0.025 0.051 -0.027 -0.014 0.011 -0.019 -0.003 -0.025 -0.002 0.023 -0.011 -0.007 -0.005 -0.007 -0.057 0.032 0.013 -0.030 -0.040 -0.034 0.081 0.010 0.004 -0.085 -0.060 0.043 -0.105 -0.056 0.002 0.058 -0.119 -0.014 -0.009 -0.017 -0.049 -0.080 -0.101 -0.039 -0.039 0.033 0.124 0.052 -0.019 -0.149 0.028 -0.199 0.144 -0.014 -0.001 0.049 0.249 -0.128 -0.260 -0.010 0.005 0.084 -0.233 -0.084 -0.103 0.035 0.010 0.012 0.113 -0.102 -0.149 -0.050 -0.009 -0.019 -0.031 0.052 0.158 0.014 0.067 -0.025 -0.081 0.018 -0.068 0.014 -0.023 -0.026 -0.002 0.030 0.085 0.063 0.016 -0.030 0.157 0.001 -0.089 0.007 -0.050 -0.047 0.011 -0.054 0.013 0.024 0.078 -0.038 0.016 -0.010 -0.018 -0.063 -0.045 0.026 0.036 0.023 0.025 -0.090 -0.026 0.049 -0.080 -0.036 0.035 -0.022 -0.018 0.010 -0.018 0.006 0.011 0.022 0.055 0.109 0.031 0.058 0.001 0.031 0.004 0.163 -0.001 0.090 -0.081 -0.205 0.062 0.051 0.014 -0.039 -0.036 -0.048 0.054 -0.058 0.212 0.442 -0.058 0.019 -0.065 0.033 0.007 0.049 0.040 -0.062 0.094 -0.051 0.102 -0.098 -0.042 -0.026 0.000 0.019 -0.006 0.029 -0.002 -0.002 -0.003 0.005 0.003 0.008 0.006 -0.047 0.032 0.011 0.032 0.027 0.026 0.028 0.065 -0.062 0.072 -0.085 -0.039 0.080 -0.068 0.049 -0.024 0.099 0.056 0.005 0.038 -0.001 0.115 0.107 0.006 0.031 -0.014 0.007 0.000 0.004 0.104 -0.022 -0.030 -0.036 0.055 0.001 0.063 -0.043 0.008 0.014 -0.098 0.035 0.169 0.131 -0.044 0.085 0.030 0.123 -0.039 -0.076 0.258 -0.001 0.301 -0.086 -0.079 -0.132 0.042 0.080 0.047 0.006 0.022 -0.061 -0.094 -0.057 -0.040 -0.021 -0.150 0.036 -0.038 0.132 0.019 0.010 -0.015 0.104 -0.034 -0.090 0.026 -0.026 -0.030 0.011 0.024 -0.011 0.008 0.015 -0.008 -0.005 0.007 -0.037 0.045 -0.123 0.288 -0.066 0.170 0.056 0.003 0.002 0.097 -0.143 0.044 0.088 -0.057 -0.012 0.011 -0.032 0.006 -0.015 0.007 -0.037 -0.009 0.025 0.039 0.010 0.018 -0.033 -0.021 0.017 0.097 -0.029 -0.050 0.023 0.051 0.278 0.248 -0.047 -0.026 0.053 -0.031 -0.183 -0.252 -0.102 -0.017 -0.037 0.007 -0.066 0.023 -0.039 -0.051 0.033 0.005 0.046 -0.026 -0.043 0.015 -0.002 -0.004 0.002 0.019 -0.000 0.006 -0.005 0.009 0.003 0.003 -0.007 0.020 -0.007 -0.018 -0.046 -0.065 -0.028 -0.084 -0.101 -0.014 0.071 -0.047 0.062 -0.014 -0.060 -0.032 -0.052 0.044 -0.073 0.117 0.103 -0.111 0.090 0.106 0.041 0.019 0.018 0.143 0.011 -0.007 -0.011 -0.013 -0.023 -0.006 -0.004 -0.006 0.011 -0.002 -0.005 -0.000 -0.025 -0.004 0.041 0.075 0.038 0.000 -0.012 0.001 -0.041 -0.041 0.045 0.082 -0.074 0.038 0.079 -0.024 0.026 0.010 0.016 -0.022 0.015 -0.029 0.011 -0.013 0.092 0.001 0.004 -0.324 0.327 -0.221 0.004 -0.008 -0.010 0.040 -0.008 -0.027 0.001 -0.031 -0.016 0.006 0.002 0.004 0.004 0.041 0.014 -0.030 -0.073 -0.012 0.030 -0.136 0.106 -0.042 -0.001 -0.033 -0.011 0.003 0.027 0.461 0.401 -0.061 -0.007 -0.042 0.028 -0.019 0.005 -0.003 0.008 -0.007 0.019 0.018 0.041 -0.000 0.004 -0.002 0.021 -0.009 -0.005 0.002 -0.186 0.099 0.137 -0.281 -0.268 -0.082 -0.007 -0.002 0.002 -0.014 -0.028 0.010 -0.006 -0.028 0.009 -0.007 0.002 -0.007 0.010 -0.000 0.007 0.090 -0.030 -0.040 0.010 -0.012 0.004 0.015 -0.005 0.007 0.004 -0.002 0.007 -0.002 -0.004 -0.001 -0.001 -0.006 -0.001 -0.004 -0.031 -0.020 -0.011 0.018 -0.025 0.114 -0.043 0.012 0.051 -0.041 -0.006 -0.011 0.015 -0.016 -0.002 -0.004 -0.035 -0.026 0.027 0.008 -0.021 0.011 0.046 -0.030 -0.013 0.160 0.008 0.023 -0.036 -0.011 0.005 -0.043 -0.056 -0.007 0.036 -0.159 0.034 0.157 -0.094 -0.097 -0.069 0.096 0.007 0.000 0.035 -0.087 0.031 -0.155 0.042 0.026 -0.201 0.048 0.217 0.089 0.082 0.017 -0.043 -0.104 -0.026 0.018 -0.000 0.083 0.010 -0.003 -0.044 0.008 0.027 0.004 0.014 0.000 -0.076 0.016 0.029 0.009 0.004 -0.008 -0.052 -0.071 -0.180 0.022 0.001 0.011 0.006 -0.001 0.036 -0.070 0.116 -0.013 -0.041 -0.013 -0.028 0.054 0.049 0.008 -0.035 -0.076 0.036 -0.017 0.006 -0.003 0.008 0.017 -0.050 -0.044 0.037 0.009 0.012 0.033 -0.063 -0.051 0.022 0.088 -0.027 0.249 -0.028 0.166 -0.268 -0.246 -0.013 -0.018 0.050 -0.022 -0.251 -0.322 -0.099 -0.018 -0.020 0.005 -0.009 0.035 0.009 -0.112 0.059 0.093 -0.046 -0.062 0.008 0.002 0.003 -0.013 -0.030 0.007 -0.029 0.002 0.001 0.002 0.001 0.001 -0.008 0.047 -0.007 -0.006 0.040 0.032 -0.014 -0.049 -0.107 0.020 -0.042 -0.074 -0.028 -0.050 -0.068 -0.003 0.008 0.020 0.006 0.123 0.007 -0.028 0.275 0.195 0.072 -0.029 0.021 -0.035 0.037 -0.008 -0.024 -0.029 -0.016 -0.028 0.007 0.010 0.036 -0.030 0.008 0.020 -0.010 -0.017 0.085 0.110 0.121 -0.039 0.052 -0.049 0.050 -0.046 0.174 0.038 0.007 0.189 0.261 0.033 0.013 -0.036 0.019 -0.074 0.024 -0.130 0.045 0.004 -0.013 0.030 0.057 -0.004 0.033 -0.016 0.044 0.028 -0.027 0.156 -0.016 -0.141 0.019 -0.043 -0.054 0.008 0.012 -0.006 0.027 0.043 -0.017 0.021 -0.000 0.028 -0.189 0.107 -0.363 0.174 -0.079 -0.051 -0.151 0.028 0.185 0.016 -0.157 -0.052 0.053 -0.090 0.059 -0.031 0.011 0.014 0.018 -0.042 0.060 -0.017 0.033 0.009 -0.000 0.004 0.048 0.022 0.130 -0.058 -0.023 -0.027 -0.076 0.253 0.139 0.062 -0.040 0.072 -0.048 -0.204 -0.294 0.004 0.030 -0.061 0.043 -0.033 0.040 -0.029 0.046 0.045 0.018 0.065 -0.048 0.048 0.012 -0.014 0.004 -0.010 0.001 0.022 0.007 -0.001 0.001 0.004 0.004 -0.013 -0.006 -0.003 -0.005 -0.020 -0.089 -0.029 -0.050 0.076 -0.113 -0.002 0.009 -0.090 0.106 0.017 0.119 -0.084 0.159 -0.071 0.008 -0.019 0.004 -0.032 0.063 0.048 -0.003 0.020 0.076 -0.029 0.034 0.025 -0.007 -0.029 0.005 0.025 -0.003 0.012 0.063 -0.014 -0.045 0.018 0.015 0.044 0.007 0.040 -0.035 0.066 0.031 0.014 -0.010 0.054 -0.007 0.006 0.078 0.105 -0.132 0.039 0.136 -0.009 0.051 -0.039 0.057 -0.155 -0.080 0.004 -0.011 -0.010 -0.023 0.058 0.019 -0.038 -0.023 0.017 -0.189 0.017 0.164 0.001 0.014 0.023 0.008 0.023 0.003 0.023 0.028 0.002 0.015 0.000 0.005 -0.113 -0.020 -0.104 0.076 -0.016 -0.040 0.104 0.020 -0.094 -0.006 -0.052 -0.000 -0.033 0.082 -0.048 0.015 -0.005 -0.028 -0.006 0.024 -0.021 0.005 -0.045 0.020 0.016 -0.013 -0.012 -0.010 -0.090 0.069 -0.064 0.009 -0.056 0.162 0.054 -0.005 0.038 -0.060 0.036 0.324 0.582 0.004 -0.019 0.056 -0.022 -0.035 -0.070 -0.021 -0.160 -0.017 0.029 0.077 0.094 -0.095 -0.001 0.003 0.005 0.019 -0.004 0.005 0.004 -0.003 -0.001 -0.004 -0.002 0.008 0.013 0.000 -0.005 -0.009 -0.044 -0.013 -0.040 -0.190 0.112 0.082 0.135 -0.044 0.071 0.063 -0.178 0.019 -0.109 -0.060 0.146 -0.010 -0.037 -0.024 -0.128 -0.051 0.039 -0.002 0.015 0.010 0.035 0.066 -0.068 0.004 -0.069 0.017 -0.019 -0.013 0.048 -0.018 -0.005 0.086 -0.008 -0.084 0.004 0.017 0.026 -0.044 -0.033 -0.009 -0.002 -0.029 -0.011 0.005 -0.016 -0.038 0.043 -0.062 -0.079 0.040 -0.079 0.027 0.054 0.099 0.040 0.010 -0.011 -0.017 -0.006 0.024 0.014 0.017 0.038 -0.011 -0.085 0.014 -0.044 0.017 0.001 -0.018 -0.018 -0.008 -0.021 -0.002 -0.021 0.012 0.006 -0.001 -0.005 -0.032 -0.043 0.065 -0.061 -0.034 0.008 -0.208 0.053 0.170 -0.007 0.009 0.008 0.119 -0.042 0.036 -0.005 -0.001 0.010 -0.021 -0.065 0.050 -0.019 -0.009 0.003 -0.044 0.001 0.017 0.044 0.098 -0.012 0.018 -0.004 -0.021 0.001 -0.012 -0.015 -0.002 0.039 -0.032 0.281 0.673 0.088 0.049 0.001 0.051 -0.019 0.007 -0.061 -0.323 0.035 0.223 0.034 0.016 0.005 0.012 -0.010 -0.003 0.003 -0.003 0.004 0.008 -0.003 -0.010 0.006 0.003 -0.016 0.058 -0.015 -0.001 -0.005 0.025 0.008 0.086 0.113 -0.112 0.016 0.041 0.034 0.052 0.038 0.023 -0.034 0.051 -0.102 -0.065 -0.034 0.032 -0.076 -0.046 -0.007 0.022 -0.023 -0.031 0.071 0.076 -0.002 -0.070 -0.052 -0.033 0.016 -0.013 0.037 0.038 0.008 -0.022 0.019 0.077 -0.065 0.016 0.039 0.007 0.008 0.002 0.017 -0.002 0.007 -0.008 0.027 0.010 0.033 -0.046 0.011 -0.084 0.018 -0.025 0.014 -0.049 -0.017 0.042 -0.038 0.029 0.036 0.021 -0.079 -0.045 0.007 -0.044 -0.016 0.113 -0.102 -0.023 0.014 0.015 0.021 -0.002 0.005 0.004 -0.015 0.008 -0.014 -0.022 -0.001 0.006 0.149 0.095 -0.058 0.047 0.011 -0.005 0.197 -0.087 0.016 0.036 0.024 -0.025 -0.117 0.071 -0.056 -0.018 -0.008 -0.011 -0.002 0.035 -0.005 0.026 0.027 -0.016 0.007 0.018 0.011 -0.012 0.042 -0.001 0.003 0.017 0.075 0.040 0.079 0.049 -0.048 0.005 -0.006 0.425 0.673 0.048 -0.032 0.002 -0.050 -0.014 0.035 0.021 -0.114 -0.060 0.015 -0.107 -0.076 0.046 -0.002 0.020 0.001 -0.007 0.021 -0.015 -0.001 -0.011 0.008 -0.000 0.008 0.011 0.001 -0.002 -0.003 -0.008 -0.024 0.003 -0.069 -0.029 0.057 -0.086 -0.135 -0.050 -0.108 -0.065 0.088 -0.018 0.031 0.034 -0.005 0.016 0.012 0.111 0.126 0.039 0.042 -0.012 0.033 -0.119 -0.037 0.065 0.003 0.007 0.008 0.018 0.014 -0.003 0.027 -0.022 -0.015 0.042 -0.075 0.013 0.007 0.012 0.002 0.005 0.025 0.012 -0.003 0.032 0.006 -0.023 -0.008 -0.025 0.175 0.012 -0.014 0.093 -0.035 0.125 -0.209 -0.007 0.089 0.032 -0.013 -0.025 -0.024 0.072 0.027 -0.028 0.007 0.026 0.234 0.082 -0.174 -0.035 -0.021 -0.010 -0.049 0.025 -0.032 0.007 -0.017 -0.005 0.013 0.004 -0.002 -0.164 -0.081 0.042 -0.032 0.022 0.037 0.141 0.033 -0.332 -0.005 -0.013 0.004 -0.050 -0.169 0.107 0.022 0.020 0.028 -0.016 0.019 -0.007 -0.033 0.023 0.010 -0.027 0.013 -0.001 -0.062 -0.217 0.005 0.123 -0.081 -0.057 0.030 -0.029 -0.034 0.073 -0.054 0.046 0.270 0.386 -0.066 -0.057 -0.053 -0.041 0.086 0.012 0.130 -0.112 -0.018 0.021 0.116 0.039 0.006 -0.002 -0.011 -0.009 -0.029 -0.022 0.020 -0.017 0.021 0.013 -0.011 -0.015 0.003 0.036 0.003 0.007 -0.006 0.004 -0.006 -0.157 0.012 0.086 0.088 0.090 0.093 0.068 0.036 0.045 0.023 0.043 0.233 -0.034 0.057 0.067 -0.001 0.121 0.095 0.018 0.010 -0.016 0.176 0.111 -0.069 -0.045 -0.037 -0.022 -0.023 -0.019 0.008 -0.011 0.026 0.005 -0.030 0.137 -0.065 0.011 0.004 0.014 -0.002 -0.007 -0.011 0.007 -0.078 0.009 -0.029 0.008 -0.009 -0.083 -0.120 -0.150 -0.014 0.016 -0.010 0.011 0.049 -0.042 0.049 -0.030 -0.041 -0.042 0.126 0.045 0.011 -0.047 -0.024 -0.065 -0.110 -0.111 0.050 0.049 0.029 0.024 -0.027 0.044 -0.051 -0.065 -0.004 0.021 0.004 -0.006 -0.264 -0.148 0.088 -0.057 -0.022 0.021 0.206 -0.085 0.146 -0.010 -0.012 0.016 -0.159 0.180 -0.111 -0.032 -0.020 -0.018 -0.017 0.027 -0.013 -0.027 -0.015 0.036 -0.010 0.035 -0.017 -0.010 0.100 0.028 0.272 -0.082 -0.049 0.089 -0.041 -0.057 -0.080 0.008 -0.010 -0.005 -0.014 0.059 -0.022 0.027 -0.043 -0.069 0.026 -0.023 0.073 -0.027 -0.050 0.237 0.119 -0.042 -0.004 0.036 0.005 -0.057 0.032 0.009 0.007 -0.020 0.007 0.000 0.017 0.012 -0.042 -0.002 -0.007 0.014 0.008 0.008 -0.035 0.029 -0.097 0.171 0.237 0.141 0.200 0.157 0.042 -0.142 0.255 -0.136 -0.002 -0.017 0.011 0.151 0.105 0.060 -0.017 -0.014 0.016 -0.147 -0.059 0.276 0.114 -0.016 0.109 0.050 0.057 -0.000 0.019 -0.015 -0.062 -0.021 -0.005 -0.004 0.003 0.023 0.001 -0.007 -0.011 -0.004 -0.009 -0.043 0.020 -0.022 -0.007 0.008 -0.017 0.008 -0.040 0.047 -0.073 0.022 0.007 0.026 0.012 0.013 0.004 0.003 -0.001 0.005 0.002 -0.003 0.029 0.008 -0.024 -0.015 -0.010 0.013 0.005 -0.001 0.005 0.027 -0.018 -0.002 -0.003 0.002 0.002 -0.001 -0.001 -0.009 -0.009 0.005 -0.004 -0.010 -0.005 -0.039 0.018 0.142 -0.007 -0.001 0.005 0.024 -0.006 -0.003 -0.006 0.001 0.003 0.002 -0.063 -0.069 -0.004 -0.001 0.010 0.018 -0.090 -0.075 0.066 0.117 0.010 0.020 -0.006 -0.002 -0.129 -0.066 -0.007 0.004 0.044 -0.010 0.549 0.554 -0.160 0.013 -0.002 0.004 -0.032 0.004 -0.024 0.059 -0.179 -0.254 0.009 0.005 0.003 0.010 -0.009 -0.013 0.000 -0.002 0.002 0.004 -0.003 -0.003 0.004 -0.008 -0.009 -0.031 0.030 0.007 0.004 -0.002 0.003 -0.006 0.018 -0.057 0.000 0.016 0.004 0.022 0.015 0.006 -0.036 0.045 -0.068 -0.003 -0.013 -0.012 -0.009 0.010 0.020 0.053 0.054 0.005 0.017 -0.015 -0.011 -0.009 -0.006 -0.006 0.005 0.001 0.006 -0.001 0.001 -0.001 -0.014 -0.009 -0.007 0.010 0.009 0.004 0.002 0.005 -0.001 -0.007 0.012 -0.002 0.024 0.010 0.047 -0.022 0.005 -0.025 0.007 -0.003 0.008 -0.001 -0.011 0.001 0.075 0.035 0.003 0.009 -0.018 0.023 -0.002 0.002 -0.000 -0.027 -0.002 -0.049 0.003 0.004 0.003 0.004 0.001 0.007 0.005 0.006 -0.003 0.003 -0.004 -0.007 0.005 0.007 0.004 0.006 0.004 -0.004 0.018 0.019 -0.009 -0.048 -0.007 0.022 -0.013 0.005 0.000 -0.005 -0.002 -0.001 -0.000 0.005 0.007 -0.004 -0.004 0.006 -0.003 0.007 0.011 -0.010 -0.016 0.014 -0.025 0.023 -0.033 -0.871 -0.455 -0.084 0.004 -0.007 0.005 -0.009 0.006 0.016 -0.006 0.002 -0.001 0.004 0.008 0.000 -0.005 0.003 0.009 -0.007 -0.000 0.011 0.001 -0.003 0.001 0.004 -0.005 0.002 0.000 -0.001 0.002 -0.002 0.001 -0.001 -0.000 0.001 -0.001 -0.002 0.001 -0.004 -0.014 -0.016 0.011 -0.011 -0.004 0.001 -0.006 0.000 0.011 -0.002 0.016 0.003 0.008 0.003 -0.006 0.019 0.021 0.018 0.006 0.003 0.012 0.039 -0.050 -0.004 -0.037 -0.012 -0.018 0.018 0.002 0.022 -0.005 -0.002 0.002 -0.032 -0.044 -0.040 -0.010 0.004 -0.011 -0.020 -0.001 -0.004 0.019 0.058 0.004 -0.008 -0.015 0.009 0.114 0.180 0.034 -0.081 0.001 -0.064 0.023 0.040 -0.001 0.071 0.026 -0.011 -0.009 -0.004 0.020 0.026 0.001 -0.007 0.269 0.024 0.438 -0.024 -0.044 -0.021 -0.037 -0.001 -0.043 -0.023 0.048 -0.023 -0.008 -0.003 -0.005 -0.020 -0.025 0.026 -0.041 0.018 0.036 -0.006 -0.152 0.121 -0.016 0.013 0.005 0.007 -0.014 -0.009 0.030 0.032 0.001 0.029 0.030 -0.003 0.015 0.005 -0.007 0.019 0.004 0.038 0.010 0.113 -0.048 0.126 -0.094 -0.019 -0.525 -0.301 -0.076 -0.096 0.047 0.013 0.040 0.030 -0.007 0.039 -0.027 -0.036 -0.079 -0.087 -0.025 -0.010 -0.003 0.022 0.063 0.071 -0.039 -0.010 0.000 -0.005 -0.040 -0.008 -0.002 0.004 0.017 -0.010 0.006 -0.001 -0.003 0.012 0.001 0.004 -0.002 -0.009 -0.002 0.130 0.086 0.052 0.046 0.111 0.047 0.077 0.067 -0.072 0.032 -0.194 -0.110 -0.052 0.011 0.017 0.116 0.080 0.026 0.036 0.009 0.022 -0.302 0.521 -0.010 0.114 0.068 0.061 -0.071 -0.116 -0.036 0.034 0.023 0.024 0.077 0.270 0.056 0.008 -0.013 0.013 -0.005 -0.011 0.010 0.015 0.004 0.000 0.039 0.054 0.020 0.016 -0.017 0.004 0.014 -0.045 0.017 -0.006 0.029 -0.036 0.033 0.024 0.005 -0.000 -0.010 0.016 -0.011 -0.089 -0.003 0.089 -0.011 0.071 -0.025 -0.011 -0.021 0.029 -0.054 0.022 -0.007 0.008 -0.006 -0.005 -0.000 -0.005 -0.002 0.003 0.012 0.013 0.010 0.021 -0.176 -0.150 -0.108 -0.013 0.009 -0.003 0.066 -0.043 0.065 0.017 -0.002 0.003 0.026 -0.053 -0.097 0.001 0.004 -0.007 0.111 -0.092 -0.187 0.067 -0.019 -0.159 0.013 -0.000 -0.013 -0.345 -0.238 -0.074 0.066 0.010 -0.095 -0.003 -0.050 -0.071 -0.020 0.003 0.096 0.073 -0.002 -0.009 0.002 0.008 -0.020 0.017 0.001 -0.002 -0.003 0.063 0.014 -0.012 0.012 -0.002 -0.007 0.004 -0.010 0.003 0.001 0.033 0.003 -0.026 -0.013 -0.012 -0.024 -0.012 0.086 0.064 -0.126 0.014 -0.000 0.015 0.006 -0.005 0.005 0.047 -0.042 0.078 -0.038 0.010 0.002 0.036 0.007 -0.023 -0.104 -0.122 -0.063 0.074 -0.101 0.055 0.019 -0.027 -0.004 0.029 0.005 0.025 -0.023 0.024 -0.010 -0.187 0.203 -0.150 -0.005 0.001 -0.005 0.002 -0.000 0.004 0.036 -0.001 0.013 -0.024 -0.021 -0.001 -0.195 0.204 -0.240 -0.023 -0.015 -0.068 -0.032 -0.043 0.005 0.020 -0.050 -0.070 -0.000 0.009 -0.006 -0.032 0.036 0.002 0.137 0.085 0.114 -0.008 -0.027 -0.009 0.044 -0.059 0.048 -0.035 0.031 -0.033 -0.001 0.006 0.012 -0.015 0.017 -0.006 -0.035 0.004 0.035 -0.117 0.269 -0.120 0.004 -0.003 0.001 0.008 0.022 -0.028 -0.004 0.007 -0.004 -0.120 -0.090 0.077 -0.014 -0.007 0.059 -0.096 -0.033 0.003 0.061 -0.167 0.013 0.036 -0.012 0.033 0.202 0.057 -0.042 0.276 -0.039 -0.123 -0.027 0.095 0.150 -0.001 0.002 0.004 0.014 -0.014 0.005 -0.016 -0.018 0.028 0.003 0.010 0.043 0.014 -0.014 0.012 0.000 -0.024 -0.015 0.001 -0.000 0.001 -0.023 0.020 0.005 -0.009 -0.000 -0.007 0.013 -0.015 0.013 -0.088 -0.063 -0.071 -0.014 0.026 0.078 -0.014 0.034 0.102 -0.022 0.050 0.006 0.013 0.000 0.006 0.388 0.304 0.139 0.078 0.032 0.039 -0.137 -0.288 -0.041 -0.033 -0.024 0.003 0.024 0.031 0.018 -0.021 0.015 -0.012 -0.090 -0.007 -0.067 0.009 0.018 0.008 0.016 0.016 -0.009 -0.005 -0.011 -0.002 -0.001 -0.025 0.009 -0.200 -0.011 -0.191 -0.023 -0.013 -0.053 -0.021 0.027 -0.064 -0.063 0.062 0.096 0.004 0.012 0.001 0.038 0.005 0.032 0.032 -0.214 0.029 -0.040 0.008 -0.029 0.067 0.083 0.061 -0.021 0.015 -0.014 0.011 -0.008 -0.020 -0.038 -0.024 0.016 0.072 0.056 -0.003 -0.208 -0.240 -0.211 -0.001 -0.004 0.001 0.076 0.030 0.124 0.015 -0.026 -0.003 0.180 0.131 -0.046 0.019 0.007 -0.001 0.132 0.044 0.064 0.013 0.127 -0.045 0.052 -0.009 0.005 0.049 0.103 0.090 -0.171 0.016 0.098 -0.001 0.162 0.143 -0.114 0.032 0.338 0.231 0.039 -0.116 -0.043 0.006 0.044 0.057 0.033 0.004 -0.037 -0.005 -0.017 -0.011 0.029 -0.003 -0.034 -0.010 -0.029 0.018 -0.033 0.004 0.032 0.006 -0.001 0.007 -0.003 0.010 0.119 0.083 0.068 0.069 0.013 0.074 -0.012 -0.019 -0.002 0.129 -0.066 0.185 -0.016 0.033 -0.095 0.051 0.021 -0.005 0.064 0.039 0.018 0.045 0.002 0.007 -0.008 -0.001 -0.003 0.009 0.010 0.003 0.001 -0.004 0.002 0.028 -0.009 0.015 -0.003 0.002 0.000 -0.018 0.003 -0.011 0.000 0.003 -0.006 0.033 0.018 -0.005 0.022 -0.011 0.019 -0.011 -0.002 -0.006 0.004 -0.013 0.015 -0.349 0.382 0.593 0.009 -0.003 0.018 -0.016 0.005 0.004 0.016 -0.008 0.034 0.006 -0.004 0.002 -0.010 -0.011 -0.010 0.004 0.010 -0.004 0.057 -0.038 -0.124 -0.029 -0.110 0.103 -0.015 0.019 0.013 0.025 0.056 0.021 -0.014 0.008 -0.010 -0.093 0.111 -0.060 -0.004 -0.001 -0.007 -0.040 -0.031 0.023 -0.007 -0.002 0.002 -0.058 0.021 -0.009 0.151 0.056 0.040 -0.013 -0.004 -0.011 -0.175 0.108 0.336 0.181 -0.008 -0.112 -0.016 -0.052 -0.031 -0.002 0.003 -0.010 -0.039 -0.009 0.026 0.010 0.005 -0.008 0.041 0.047 -0.008 -0.000 -0.004 0.006 -0.005 -0.007 -0.000 0.008 -0.000 -0.002 -0.023 0.011 0.012 -0.005 -0.002 -0.000 -0.001 -0.013 0.010 -0.029 -0.026 -0.010 0.009 0.066 -0.004 0.065 0.067 -0.013 -0.048 0.064 -0.032 -0.014 0.005 -0.013 0.110 0.109 0.051 -0.001 0.008 0.002 0.021 -0.049 -0.015 -0.109 -0.033 -0.022 -0.003 0.017 0.006 -0.005 -0.004 0.002 0.030 -0.092 0.026 0.000 0.002 0.001 0.006 -0.000 -0.001 -0.012 -0.003 -0.004 -0.007 -0.009 0.000 0.046 -0.039 0.028 -0.007 -0.016 0.008 0.003 0.047 -0.017 0.057 -0.059 -0.091 -0.006 0.001 -0.002 -0.035 0.000 0.028 -0.017 -0.070 -0.012 0.009 0.002 0.002 -0.012 0.018 -0.013 0.006 -0.005 0.004 -0.011 0.004 0.019 0.002 0.017 -0.014 0.042 0.025 -0.002 0.033 -0.059 0.094 0.003 -0.001 0.004 -0.199 0.222 -0.046 -0.001 -0.008 -0.024 0.372 0.155 -0.124 0.004 -0.004 -0.018 0.210 0.137 0.023 0.408 0.186 -0.029 0.005 -0.004 0.000 0.003 -0.008 -0.039 0.425 0.028 -0.293 0.025 -0.013 -0.037 -0.057 0.021 0.085 -0.054 0.004 0.019 0.009 0.002 -0.004 -0.000 -0.006 -0.011 -0.049 -0.013 0.021 -0.005 0.011 0.003 0.014 -0.004 -0.016 -0.113 -0.018 0.064 0.011 -0.000 -0.004 -0.000 0.012 -0.002 0.162 0.101 0.190 0.006 -0.009 -0.011 0.001 -0.010 -0.018 0.008 -0.069 0.003 -0.056 0.028 -0.006 0.023 0.032 0.013 -0.009 0.011 0.006 0.108 -0.024 0.033 0.021 0.015 0.006 0.008 0.037 -0.012 0.001 -0.020 0.000 0.115 -0.048 0.082 0.003 -0.003 0.008 0.001 0.001 0.004 -0.030 -0.034 -0.001 0.011 0.024 0.001 0.039 -0.161 0.100 -0.037 0.008 -0.019 -0.013 -0.027 0.026 0.055 -0.030 -0.055 -0.007 -0.006 0.005 -0.006 -0.003 0.001 0.078 -0.178 0.108 -0.007 0.006 -0.004 -0.018 0.027 -0.031 0.016 0.011 0.008 -0.012 0.004 0.013 0.018 0.002 -0.017 -0.011 -0.048 -0.043 0.069 -0.012 -0.003 0.003 0.007 -0.003 -0.185 0.263 -0.012 -0.004 -0.014 -0.009 -0.308 -0.155 0.134 0.033 -0.001 -0.076 -0.279 -0.011 -0.018 0.223 0.210 0.196 0.005 -0.023 -0.012 -0.132 -0.075 -0.034 0.166 -0.038 -0.113 0.007 -0.079 -0.092 -0.105 0.027 0.229 0.218 0.029 -0.170 0.012 -0.001 -0.024 0.008 0.002 -0.034 0.015 0.008 -0.005 -0.013 0.033 0.007 -0.032 -0.018 -0.010 0.016 0.037 -0.008 -0.012 0.000 0.007 -0.004 0.011 -0.006 -0.238 -0.115 -0.149 0.019 0.001 -0.044 0.007 -0.004 -0.042 0.021 0.222 -0.047 0.070 -0.035 0.022 0.038 0.040 -0.020 -0.048 0.015 -0.013 -0.079 -0.017 -0.045 0.000 0.008 0.013 -0.011 -0.014 -0.002 0.003 -0.000 0.001 0.026 -0.045 0.023 -0.000 0.005 0.005 0.002 0.007 0.000 -0.001 0.004 0.000 -0.005 -0.006 -0.002 0.010 0.027 -0.026 -0.008 -0.024 0.010 -0.008 -0.015 -0.023 -0.004 -0.004 -0.001 0.001 0.003 0.001 0.000 -0.001 0.005 -0.031 -0.041 0.001 -0.017 -0.000 0.015 0.004 0.010 0.005 0.013 -0.005 -0.006 0.001 -0.000 0.000 -0.004 0.001 -0.001 -0.004 0.001 -0.001 -0.034 -0.024 0.014 0.001 -0.002 0.001 -0.127 0.266 -0.344 -0.008 0.001 0.011 0.026 0.013 -0.003 -0.030 -0.025 0.010 -0.001 0.035 -0.006 0.173 0.214 0.093 -0.002 0.010 0.008 0.026 0.020 0.007 0.015 -0.007 -0.027 -0.009 -0.003 0.003 0.163 -0.035 -0.257 0.180 0.014 -0.179 -0.003 0.010 0.008 0.012 0.003 -0.010 -0.005 0.000 -0.001 -0.002 0.003 -0.003 -0.043 0.002 0.068 -0.005 -0.002 0.004 0.008 0.002 0.001 -0.002 0.002 -0.000 -0.077 -0.044 -0.008 0.020 -0.004 0.014 -0.015 -0.020 -0.015 0.086 0.065 -0.095 0.019 -0.003 -0.008 0.483 0.455 0.217 -0.006 -0.013 -0.006 0.051 -0.021 0.037 -0.011 -0.010 -0.008 0.011 0.024 0.002 -0.006 0.000 -0.001 -0.017 0.050 -0.014 0.003 -0.004 0.000 0.004 -0.001 0.001 -0.013 -0.017 -0.002 0.010 0.010 0.008 -0.059 -0.120 0.015 -0.002 0.049 0.018 -0.015 0.006 -0.005 0.004 0.007 0.006 -0.004 -0.003 0.003 0.007 -0.001 -0.005 0.051 -0.015 0.033 -0.003 -0.003 -0.001 0.004 0.006 -0.005 -0.012 0.010 0.005 -0.001 -0.002 -0.001 -0.004 0.001 0.002 0.032 0.007 -0.012 -0.038 -0.017 -0.026 0.000 0.001 0.001 0.320 -0.373 0.118 -0.008 -0.006 0.013 0.014 0.003 -0.002 0.039 0.025 -0.030 0.006 0.003 0.007 -0.142 -0.299 -0.282 0.002 -0.015 -0.014 -0.056 -0.021 0.003 0.038 0.042 -0.026 0.012 0.018 0.006 0.046 0.004 -0.118 0.039 0.004 -0.037 -0.001 -0.008 -0.001 0.003 0.006 0.003 0.001 -0.002 0.001 -0.002 0.006 0.005 -0.011 0.003 0.023 -0.008 -0.002 0.005 -0.004 -0.002 -0.000 0.003 0.002 0.002 0.014 0.017 -0.012 0.011 -0.003 0.005 -0.010 -0.007 -0.004 0.034 -0.029 -0.000 -0.009 0.007 -0.013 -0.472 -0.453 -0.230 -0.002 0.018 0.006 -0.113 -0.103 -0.058 0.019 0.017 0.020 -0.006 0.005 -0.013 0.000 -0.002 -0.002 0.066 -0.023 0.047 0.013 0.009 0.019 0.002 -0.011 -0.002 -0.032 -0.031 -0.010 0.012 0.010 0.009 -0.118 -0.208 -0.044 -0.024 0.000 -0.020 0.001 0.021 0.020 0.024 -0.019 -0.024 -0.002 -0.000 -0.001 0.009 -0.007 0.010 0.019 -0.144 0.047 -0.014 -0.011 -0.012 0.019 0.048 0.003 0.010 0.009 -0.000 -0.007 0.001 0.007 0.011 -0.014 -0.014 0.046 -0.022 -0.052 -0.123 -0.132 -0.099 -0.000 0.002 0.000 -0.049 0.118 -0.206 0.003 0.004 -0.007 -0.138 -0.057 0.071 -0.004 -0.019 -0.032 -0.122 -0.015 0.007 0.229 0.196 -0.003 -0.011 0.005 -0.004 -0.072 -0.009 0.009 0.054 -0.004 -0.048 -0.042 -0.031 0.021 0.094 -0.026 -0.158 -0.262 -0.028 0.288 -0.002 0.021 0.020 0.001 -0.000 -0.008 -0.001 -0.006 -0.006 -0.005 0.020 0.004 0.049 0.020 -0.013 0.010 0.014 0.000 0.013 0.003 0.002 0.001 0.008 -0.001 0.003 0.024 -0.062 0.003 0.013 -0.029 0.016 0.020 0.013 -0.167 -0.060 0.165 0.020 -0.018 -0.031 0.430 0.386 0.152 -0.027 -0.005 -0.013 -0.108 -0.001 -0.079 0.021 0.012 0.025 -0.009 -0.044 0.008 0.006 0.011 -0.006 -0.123 -0.141 -0.053 -0.007 0.005 -0.017 -0.007 0.003 -0.003 0.030 0.052 0.003 -0.019 -0.045 0.010 0.028 0.208 -0.022 0.029 -0.004 0.034 0.032 -0.003 -0.010 -0.003 -0.001 -0.002 0.001 0.005 -0.004 0.008 -0.029 0.001 -0.074 -0.034 -0.078 0.002 0.011 0.001 0.019 0.005 0.021 -0.023 -0.008 -0.002 0.000 0.000 0.000 -0.004 -0.000 -0.001 -0.049 -0.004 0.021 0.045 -0.192 0.037 0.002 -0.003 0.006 0.064 -0.090 0.033 0.001 -0.003 0.006 -0.140 -0.057 0.069 0.030 0.031 0.011 -0.109 -0.020 -0.010 0.132 0.067 -0.081 0.034 -0.018 0.011 0.034 0.061 0.031 0.091 0.025 -0.088 -0.012 0.060 0.067 0.010 0.003 -0.033 -0.008 0.003 0.011 -0.009 0.009 0.015 -0.000 0.004 0.007 0.003 0.002 -0.001 -0.001 -0.001 -0.000 0.000 0.002 0.003 0.001 0.025 0.002 0.011 0.005 -0.001 0.000 -0.000 0.001 -0.062 -0.039 -0.043 -0.006 0.007 0.007 0.006 0.012 0.011 -0.032 0.062 -0.016 0.030 -0.016 -0.010 -0.589 -0.538 -0.235 0.058 -0.014 0.016 -0.026 0.003 -0.016 0.002 0.005 0.005 -0.011 -0.017 -0.004 0.003 -0.002 0.001 0.029 -0.044 0.026 -0.001 0.002 0.002 -0.001 0.002 -0.001 0.002 0.003 -0.000 -0.005 -0.006 -0.001 0.011 0.048 -0.017 -0.012 -0.008 -0.009 0.005 -0.005 0.001 -0.001 -0.002 -0.001 0.001 0.001 -0.000 0.003 -0.008 -0.012 -0.035 -0.060 0.008 0.010 0.003 -0.000 -0.001 0.000 0.001 0.008 -0.003 0.000 0.001 -0.001 -0.001 -0.003 0.004 0.003 -0.024 -0.013 0.002 0.023 0.019 0.026 0.000 -0.001 0.001 0.309 -0.356 0.184 -0.013 -0.015 0.003 -0.003 0.000 0.007 0.017 -0.022 -0.051 -0.019 0.022 0.002 -0.293 -0.494 -0.377 0.004 0.004 0.008 0.012 0.011 0.005 0.021 0.048 0.002 0.008 -0.009 -0.019 -0.025 0.026 0.008 0.000 0.005 -0.000 0.002 0.003 -0.001 0.001 0.002 -0.004 0.005 -0.008 0.002 -0.006 0.007 0.006 0.001 -0.002 -0.003 -0.001 -0.000 -0.000 0.003 0.003 0.001 -0.001 0.003 -0.001 -0.058 -0.032 -0.012 -0.011 0.010 -0.005 0.013 0.019 0.011 -0.044 0.099 -0.022 0.022 -0.012 0.009 0.358 0.299 0.095 -0.008 -0.014 -0.003 0.115 0.062 0.062 -0.009 -0.013 -0.020 0.073 0.115 0.023 -0.005 -0.001 -0.001 -0.105 -0.036 -0.065 0.003 0.008 0.001 0.001 -0.003 0.001 -0.020 0.001 0.003 0.000 -0.010 0.011 0.063 -0.070 0.052 0.006 0.022 -0.027 0.002 0.016 -0.010 -0.007 -0.004 -0.001 0.004 0.003 -0.003 0.012 -0.020 0.001 -0.034 0.143 -0.033 -0.003 0.003 0.003 0.005 0.019 0.011 0.025 -0.008 0.004 0.000 0.005 0.002 0.007 -0.015 -0.013 0.069 0.043 -0.004 -0.032 -0.206 -0.034 0.000 -0.004 0.003 0.080 -0.115 0.086 0.017 0.006 0.005 -0.057 -0.028 0.011 -0.112 -0.011 0.134 0.026 -0.100 0.003 -0.091 -0.239 -0.284 -0.030 0.032 -0.008 0.029 0.030 0.013 0.033 0.033 -0.036 -0.006 0.044 0.038 -0.009 0.003 0.020 0.016 0.003 -0.022 -0.010 -0.012 -0.011 0.002 -0.011 -0.003 0.002 0.016 0.001 0.015 -0.014 -0.017 -0.005 0.000 -0.002 -0.000 0.009 0.003 -0.018 -0.016 -0.005 0.002 -0.005 -0.001 0.199 0.103 0.056 0.043 -0.036 0.013 -0.040 -0.074 -0.066 0.144 -0.314 0.090 -0.061 0.035 -0.043 0.384 0.422 0.287 0.048 0.086 0.008 0.067 0.057 0.041 -0.002 -0.012 -0.017 0.068 0.106 0.026 -0.006 0.006 -0.002 -0.144 0.017 -0.094 -0.002 0.004 0.003 0.000 0.000 0.002 0.001 0.008 0.011 -0.007 -0.009 0.007 0.080 0.025 0.055 -0.008 -0.020 0.032 -0.014 0.008 -0.012 -0.007 -0.004 -0.002 0.003 0.006 -0.002 -0.002 0.001 0.005 -0.065 0.057 -0.047 -0.005 0.003 0.004 0.016 0.002 0.011 0.011 -0.007 0.011 0.006 -0.011 -0.004 -0.044 0.049 0.026 0.071 0.081 0.043 -0.058 -0.026 -0.052 -0.002 -0.005 0.005 -0.131 0.168 -0.102 0.010 0.005 -0.003 -0.012 -0.007 -0.009 0.265 -0.092 -0.451 0.084 -0.119 0.008 0.124 0.212 0.164 -0.010 0.018 0.000 0.023 0.010 -0.002 -0.015 -0.026 0.000 -0.015 0.065 0.076 0.018 -0.013 -0.011 -0.013 0.004 0.005 -0.012 -0.010 0.001 -0.002 0.011 0.014 0.002 0.014 0.003 -0.031 -0.002 0.071 0.001 0.003 0.002 0.002 0.001 0.001 -0.016 -0.017 -0.005 -0.001 -0.008 -0.003 0.235 0.118 0.100 0.011 -0.033 0.075 -0.056 -0.055 -0.061 0.109 -0.281 0.102 -0.101 0.061 -0.050 0.370 0.176 -0.188 0.066 0.081 -0.002 -0.056 0.066 -0.053 -0.039 0.009 0.019 0.243 0.434 0.068 -0.007 -0.010 0.008 0.098 -0.007 0.071 -0.005 -0.006 -0.000 -0.006 0.001 -0.002 -0.037 -0.069 0.023 -0.009 0.029 -0.031 0.000 0.125 -0.029 0.005 -0.010 -0.000 0.026 -0.009 0.003 0.007 0.002 -0.003 0.003 -0.002 0.004 -0.002 0.000 -0.006 -0.010 -0.095 0.002 -0.005 0.002 -0.011 -0.007 -0.018 0.004 -0.014 0.000 -0.007 -0.004 0.002 0.003 0.017 -0.012 0.001 -0.165 -0.105 0.005 -0.032 0.023 -0.031 -0.004 0.009 -0.011 -0.007 0.024 -0.027 -0.009 -0.005 0.002 0.036 0.015 0.005 -0.006 0.018 0.036 -0.011 0.123 -0.069 -0.010 0.007 0.019 0.021 -0.017 0.009 0.004 -0.067 -0.048 -0.017 -0.005 0.012 -0.096 -0.095 -0.003 0.016 0.001 -0.017 -0.005 -0.012 0.035 -0.020 0.023 0.017 -0.006 -0.001 -0.005 -0.002 0.006 0.005 -0.001 0.006 -0.007 0.006 0.002 0.002 0.001 -0.003 0.002 -0.026 -0.072 -0.022 0.009 -0.002 0.005 -0.306 -0.156 -0.160 -0.062 0.051 -0.064 0.083 0.098 0.080 -0.187 0.425 -0.117 0.146 -0.093 0.078 -0.189 -0.160 -0.050 0.034 0.257 -0.091 0.004 0.015 0.004 -0.007 -0.008 0.009 -0.012 -0.028 -0.001 -0.002 0.005 -0.005 -0.078 -0.010 -0.050 0.002 0.002 -0.001 -0.006 0.004 -0.002 -0.000 0.013 -0.002 0.002 -0.012 0.012 0.014 -0.056 0.033 -0.002 0.005 0.004 0.031 0.007 0.012 -0.003 -0.001 0.001 0.000 -0.000 -0.002 0.003 0.000 0.001 0.012 0.053 0.015 -0.005 0.001 -0.013 0.007 0.007 -0.000 0.005 -0.000 0.003 -0.001 0.004 0.001 0.016 -0.018 -0.006 -0.179 -0.151 -0.040 -0.012 -0.025 -0.012 0.001 -0.003 0.004 -0.001 -0.009 0.010 0.002 0.014 0.011 0.039 0.010 -0.001 0.004 -0.007 -0.019 -0.068 0.167 -0.050 0.023 0.031 0.007 -0.009 0.010 -0.005 -0.004 0.017 0.014 -0.008 -0.002 0.002 0.019 0.034 0.015 -0.003 -0.008 0.008 0.016 -0.025 0.018 -0.000 -0.006 0.001 -0.014 -0.009 -0.006 -0.005 0.004 0.002 0.001 -0.005 0.003 0.000 -0.001 -0.002 -0.002 -0.003 0.001 0.004 0.004 -0.000 0.000 0.000 -0.001 -0.474 -0.218 -0.221 -0.099 0.066 -0.118 0.118 0.133 0.108 -0.237 0.567 -0.184 0.205 -0.126 0.083 0.074 0.060 0.014 0.014 -0.012 0.014 -0.163 0.245 -0.136 -0.008 0.021 0.025 0.050 0.077 0.016 0.013 -0.007 0.008 -0.185 -0.396 -0.032 0.007 0.010 -0.007 0.014 0.008 -0.007 -0.058 0.005 -0.019 -0.014 -0.098 0.063 -0.207 -0.215 -0.093 -0.053 0.011 0.069 -0.042 -0.008 0.029 -0.009 -0.014 0.000 0.001 0.010 -0.008 -0.010 -0.008 -0.003 0.144 0.074 0.111 0.010 -0.005 0.007 0.046 -0.005 -0.014 -0.024 0.013 -0.017 0.008 -0.010 -0.006 -0.036 0.046 0.014 0.162 0.103 -0.013 0.105 0.198 0.101 0.006 -0.014 0.020 0.128 -0.147 0.058 -0.003 -0.001 -0.001 -0.002 0.002 -0.009 -0.014 0.015 0.003 0.034 -0.057 0.000 0.056 0.161 0.190 -0.008 0.033 -0.009 0.011 0.189 0.130 -0.022 -0.021 0.016 0.131 0.033 -0.130 -0.049 -0.009 0.025 0.002 0.006 -0.043 -0.008 0.002 0.020 0.005 0.011 0.015 0.006 -0.001 0.003 0.004 -0.004 -0.002 -0.006 -0.007 -0.007 0.004 -0.007 -0.003 0.004 -0.010 -0.005 0.022 0.041 0.006 0.222 0.111 0.127 0.016 -0.023 0.067 -0.068 -0.028 0.023 0.103 -0.243 0.059 -0.124 0.089 -0.079 0.119 0.003 -0.071 0.009 0.040 0.008 -0.306 -0.248 -0.193 -0.022 0.030 0.078 0.045 0.089 0.014 -0.014 0.024 -0.015 0.080 0.281 -0.005 0.002 -0.006 0.010 -0.001 -0.007 0.003 -0.004 -0.029 0.007 0.009 0.061 -0.035 -0.068 -0.121 -0.012 -0.006 0.009 0.020 0.005 0.010 0.001 -0.005 0.001 -0.004 0.008 0.003 0.001 0.008 -0.016 0.011 0.020 0.332 -0.011 0.015 0.001 0.008 -0.011 -0.004 -0.014 -0.011 -0.001 -0.010 0.004 -0.008 -0.002 -0.022 0.049 0.027 0.013 0.012 0.019 0.233 -0.109 0.207 -0.007 0.005 -0.009 0.154 -0.342 0.297 0.015 0.028 0.014 -0.046 0.002 0.049 0.030 -0.028 -0.063 -0.115 0.064 0.017 0.076 0.119 0.069 -0.016 0.054 -0.014 0.062 -0.097 -0.089 0.036 0.027 -0.036 -0.128 -0.011 0.151 -0.054 0.001 0.039 0.028 -0.003 -0.062 -0.005 0.026 0.035 -0.012 -0.007 0.018 -0.004 -0.034 -0.013 0.006 -0.031 0.017 -0.011 -0.008 -0.007 -0.005 0.019 -0.005 0.024 -0.022 -0.007 0.000 -0.014 0.004 0.030 0.019 -0.038 -0.041 -0.005 0.013 0.010 0.006 0.010 0.092 -0.088 -0.089 -0.014 0.005 -0.008 0.189 0.128 0.014 0.005 0.033 -0.063 0.119 0.030 0.075 0.014 -0.012 -0.036 -0.024 -0.026 -0.016 0.008 -0.020 0.011 0.167 -0.068 0.129 0.006 -0.003 -0.001 -0.008 0.021 -0.006 -0.019 -0.017 -0.001 -0.020 -0.055 0.044 -0.127 0.057 -0.097 0.011 0.000 -0.014 0.019 -0.016 0.006 0.015 -0.026 -0.034 0.013 0.025 -0.009 0.008 -0.007 0.005 0.009 0.123 0.006 -0.014 0.003 -0.012 -0.020 0.006 -0.002 -0.021 0.004 -0.010 0.030 -0.103 -0.030 -0.204 0.521 0.234 -0.034 0.007 0.083 -0.039 -0.142 -0.049 -0.003 0.016 -0.007 -0.140 0.101 0.009 0.013 0.027 0.005 0.004 -0.009 -0.003 0.008 -0.010 0.014 -0.005 0.036 -0.022 -0.013 -0.031 -0.041 0.008 0.036 0.001 0.048 0.216 0.117 0.002 0.002 -0.010 -0.002 -0.032 -0.035 0.013 -0.007 0.007 0.010 -0.019 0.013 0.004 -0.004 -0.018 -0.016 0.029 0.029 0.001 0.012 0.003 0.014 -0.016 -0.001 0.004 -0.000 0.001 -0.004 0.004 -0.002 -0.013 0.010 0.003 0.001 0.017 -0.010 -0.185 -0.113 -0.134 -0.301 0.063 -0.093 0.199 0.187 0.093 -0.085 0.240 -0.110 0.091 -0.040 -0.048 -0.047 -0.035 0.013 -0.076 -0.014 0.034 0.152 0.065 0.089 0.014 -0.007 -0.043 -0.036 -0.043 -0.025 0.014 -0.030 0.020 0.290 -0.184 0.226 0.002 0.008 0.004 0.011 -0.006 -0.004 -0.060 -0.030 -0.028 -0.004 -0.031 0.006 -0.302 0.112 -0.276 0.020 0.000 -0.016 0.013 0.027 -0.034 -0.025 0.005 0.023 0.005 -0.005 -0.001 0.004 -0.002 0.002 0.044 0.318 -0.018 0.002 -0.004 0.002 -0.030 -0.007 0.005 -0.045 0.006 -0.036 -0.014 0.069 0.018 0.122 -0.336 -0.147 -0.177 -0.192 -0.115 -0.018 -0.189 -0.038 0.003 -0.024 0.021 -0.143 0.073 0.052 0.019 0.029 0.009 0.001 -0.005 -0.013 0.110 -0.033 -0.135 0.024 -0.003 -0.018 0.013 0.001 -0.038 0.004 0.060 -0.009 0.027 -0.041 -0.021 0.004 0.006 -0.016 0.018 -0.080 -0.115 0.007 -0.007 0.016 0.025 -0.014 -0.020 0.009 0.004 -0.029 0.000 -0.024 0.020 -0.001 0.014 0.003 -0.001 -0.039 0.037 -0.008 -0.002 0.000 -0.006 0.004 0.002 -0.015 0.016 0.002 0.013 0.016 0.010 -0.054 -0.002 -0.028 0.061 0.034 0.030 -0.011 0.021 0.085 0.036 0.022 -0.078 0.178 -0.113 0.122 -0.040 -0.077 -0.097 -0.111 -0.032 0.046 -0.028 -0.006 -0.015 -0.010 0.006 0.017 0.002 0.003 0.001 -0.001 0.003 -0.002 -0.012 0.001 -0.009 0.001 -0.001 -0.002 0.000 0.000 -0.000 -0.003 -0.000 -0.001 0.001 -0.002 0.002 -0.006 -0.020 0.003 0.017 -0.017 -0.006 -0.001 0.002 0.003 0.000 0.000 0.000 -0.002 -0.001 -0.000 0.001 -0.004 -0.006 0.017 0.017 0.001 -0.009 -0.000 0.000 0.000 0.004 -0.000 -0.005 0.001 -0.003 0.000 0.000 -0.000 -0.000 -0.000 -0.001 -0.001 -0.001 -0.000 -0.001 0.006 0.024 0.000 -0.000 0.001 -0.417 0.549 -0.283 0.003 0.003 -0.013 -0.005 -0.000 0.006 0.009 0.002 -0.008 -0.023 0.016 0.003 -0.255 -0.465 -0.370 -0.001 -0.003 -0.001 -0.004 0.002 0.002 0.011 0.022 0.018 0.008 -0.007 -0.014 0.021 -0.006 0.022 -0.001 -0.003 0.001 0.000 0.000 0.003 -0.000 0.001 0.000 0.001 -0.006 0.000 0.000 -0.001 0.002 0.000 -0.001 0.001 0.003 -0.001 -0.001 0.004 -0.001 -0.001 0.001 0.001 0.001 -0.020 -0.006 0.006 0.005 -0.004 0.006 -0.010 -0.006 0.001 0.009 -0.027 0.009 -0.003 0.001 0.006 -0.093 -0.079 -0.035 -0.001 0.001 -0.001 -0.008 -0.004 -0.005 0.012 -0.005 -0.016 0.006 0.005 0.002 -0.001 0.002 -0.002 -0.001 0.018 0.001 0.003 -0.002 -0.003 0.012 0.019 -0.007 0.025 0.001 0.008 0.001 -0.048 0.040 0.004 -0.007 0.005 -0.002 0.000 0.002 -0.022 0.019 -0.019 -0.002 -0.005 0.002 -0.002 -0.001 -0.002 -0.002 0.001 -0.001 0.002 -0.017 -0.004 0.005 -0.003 0.008 0.001 -0.001 -0.001 0.002 0.000 0.002 0.001 0.001 -0.003 0.003 0.010 -0.000 -0.530 -0.395 -0.033 0.003 0.009 0.010 0.006 -0.008 0.012 0.007 -0.003 -0.003 -0.001 -0.010 -0.004 -0.002 0.000 -0.000 -0.002 0.001 0.002 0.038 -0.050 0.013 -0.002 0.005 0.013 0.002 0.011 -0.002 -0.032 0.085 0.071 0.001 0.000 -0.001 0.007 -0.006 -0.014 -0.001 0.002 -0.001 -0.003 0.015 -0.005 -0.001 0.001 0.003 0.007 0.006 0.003 0.000 -0.003 -0.002 -0.002 0.000 -0.000 -0.001 0.002 -0.000 -0.000 0.001 0.000 -0.002 -0.001 0.003 -0.005 0.006 -0.008 -0.005 0.029 0.049 -0.058 0.042 -0.083 0.064 0.047 0.021 0.154 -0.369 0.123 0.371 -0.244 0.374 0.001 0.001 0.001 -0.019 0.018 0.019 0.017 -0.007 0.012 -0.074 0.037 0.107 0.024 0.016 0.008 -0.004 0.005 -0.003 0.040 0.065 0.016 -0.003 0.002 0.014 -0.016 -0.000 0.012 0.200 0.003 0.070 -0.004 -0.231 0.185 0.004 -0.001 0.001 0.007 0.001 -0.010 0.012 -0.011 0.015 0.002 -0.032 0.004 0.004 0.011 -0.011 -0.000 0.003 -0.002 -0.004 -0.001 -0.001 0.002 -0.001 0.000 -0.009 -0.002 -0.002 0.005 0.001 0.003 -0.001 0.009 -0.007 -0.001 -0.040 -0.017 0.422 0.101 -0.214 -0.003 -0.003 -0.006 0.019 -0.023 0.036 0.015 -0.025 0.017 0.000 0.004 0.001 0.006 -0.003 0.006 0.001 -0.001 -0.002 -0.151 0.177 -0.039 0.010 0.022 0.016 -0.002 0.011 -0.003 -0.196 0.445 0.381 -0.006 -0.001 0.002 0.039 -0.061 -0.089 0.000 0.001 -0.002 0.001 -0.002 0.003 0.010 -0.002 0.001 0.002 0.003 -0.004 -0.003 0.007 0.006 -0.001 -0.002 0.000 0.000 0.000 -0.000 0.001 -0.001 -0.002 0.007 -0.013 -0.018 -0.034 0.032 -0.042 -0.030 -0.032 -0.138 0.070 -0.042 0.083 -0.076 -0.075 -0.049 -0.031 0.057 -0.009 -0.183 0.125 -0.163 -0.007 0.006 0.009 -0.067 0.078 0.065 0.021 0.014 0.017 -0.061 0.020 0.095 -0.010 -0.014 -0.006 0.002 -0.008 0.007 -0.005 -0.016 0.002 0.000 0.000 -0.002 -0.004 0.001 0.000 -0.036 -0.000 -0.014 -0.000 0.034 -0.026 -0.005 0.011 -0.004 0.007 0.001 -0.010 0.008 0.007 0.019 -0.000 0.006 0.001 -0.004 -0.004 0.002 0.006 -0.000 0.002 -0.001 0.001 -0.004 0.008 -0.005 0.011 -0.001 -0.002 0.002 0.000 0.000 -0.001 0.001 -0.002 0.000 -0.009 0.017 -0.001 -0.054 -0.022 0.017 -0.005 0.001 0.003 -0.002 0.003 -0.005 0.025 -0.030 0.011 -0.002 -0.010 -0.003 0.025 -0.009 0.009 0.002 -0.002 -0.003 -0.334 0.477 -0.130 0.002 0.026 0.036 -0.004 -0.019 0.002 0.023 -0.061 -0.051 -0.007 -0.003 0.002 -0.043 0.029 0.083 -0.001 0.002 -0.002 -0.003 0.016 0.005 0.006 -0.004 -0.012 0.009 0.018 -0.004 -0.005 0.008 0.008 0.001 0.002 0.001 0.001 0.002 -0.002 -0.000 -0.000 -0.003 0.009 -0.002 -0.017 0.006 -0.004 0.007 -0.265 -0.121 -0.367 0.159 -0.113 0.171 -0.218 -0.208 -0.110 0.136 -0.387 0.163 0.089 -0.047 -0.036 0.009 0.008 0.001 -0.021 -0.008 0.024 0.015 0.000 0.008 -0.103 0.058 0.138 0.008 -0.024 -0.032 0.008 -0.023 0.031 -0.007 0.016 -0.004 -0.011 0.007 0.010 0.010 0.000 -0.001 -0.116 -0.007 -0.059 -0.004 -0.024 0.020 0.016 0.015 0.012 0.024 -0.004 -0.024 -0.016 -0.016 -0.005 -0.001 -0.002 -0.002 0.002 0.002 -0.002 -0.003 0.000 -0.001 -0.003 -0.010 0.000 0.003 -0.001 -0.001 -0.003 0.000 0.003 0.003 0.000 0.003 -0.001 0.001 -0.001 0.006 -0.005 0.002 -0.086 -0.002 0.064 -0.004 0.006 -0.010 0.008 -0.007 0.012 0.021 -0.024 0.005 0.001 0.006 0.001 -0.017 0.006 0.005 0.001 -0.000 0.000 0.073 -0.205 0.078 0.020 0.024 0.008 0.005 0.014 -0.001 0.001 0.027 0.018 -0.002 -0.002 0.000 -0.074 0.063 0.153 0.001 0.000 -0.003 -0.000 -0.006 -0.006 0.006 -0.008 -0.018 -0.006 -0.013 0.004 0.002 0.005 0.004 -0.002 -0.001 -0.001 -0.001 -0.000 0.001 0.003 -0.001 -0.001 0.015 -0.002 -0.026 0.022 -0.001 0.002 0.293 0.121 0.110 -0.159 0.113 -0.176 0.214 0.192 0.092 -0.046 0.121 -0.043 -0.043 0.016 0.092 -0.007 -0.005 -0.004 -0.495 0.181 0.508 0.030 0.013 0.021 -0.090 0.043 0.125 -0.027 -0.005 0.026 0.011 -0.022 0.021 -0.005 -0.038 0.011 0.017 -0.011 -0.020 0.009 -0.001 -0.004 0.113 0.009 0.056 0.004 0.068 -0.057 -0.022 -0.016 -0.013 0.000 0.001 -0.002 -0.016 -0.016 -0.000 -0.001 0.006 -0.001 0.001 -0.001 0.002 0.002 -0.003 0.005 0.002 -0.002 0.002 -0.001 0.000 -0.002 0.001 0.004 -0.001 0.003 0.000 0.002 0.000 -0.002 0.003 0.007 0.001 0.007 -0.118 -0.031 0.056 -0.004 0.004 -0.010 -0.006 0.007 -0.010 0.004 -0.005 0.002 0.000 -0.000 0.000 -0.011 0.004 0.004 0.001 -0.001 0.000 0.011 -0.099 0.045 0.008 0.006 -0.005 0.007 0.027 -0.005 0.051 -0.116 -0.099 -0.002 -0.001 0.001 -0.080 0.038 0.130 0.001 -0.000 -0.001 0.000 -0.003 -0.007 0.009 -0.000 -0.020 -0.007 -0.013 0.006 0.000 0.002 0.002 -0.001 -0.004 0.001 -0.001 0.000 0.001 0.002 -0.000 -0.002 0.010 -0.003 -0.025 -0.023 -0.004 0.004 0.299 0.119 0.008 -0.172 0.123 -0.192 0.237 0.199 0.084 -0.013 0.041 -0.014 0.028 -0.022 0.059 -0.011 0.007 0.016 0.522 -0.196 -0.503 -0.001 0.007 0.001 0.022 -0.007 -0.031 0.033 -0.005 -0.025 0.006 -0.009 0.018 -0.005 -0.043 0.004 0.017 -0.009 -0.025 -0.002 -0.002 -0.000 0.191 -0.001 0.044 0.005 0.082 -0.068 -0.018 -0.019 -0.012 -0.026 0.004 0.029 0.001 0.001 0.003 -0.003 0.009 -0.001 0.007 0.002 0.002 0.002 -0.001 0.002 0.007 -0.004 0.004 -0.006 0.003 -0.003 0.005 0.002 -0.005 0.000 0.001 -0.001 0.000 -0.002 0.004 0.001 0.004 0.004 0.015 -0.019 -0.031 0.001 0.000 0.001 -0.011 0.009 -0.016 -0.018 0.021 -0.005 -0.002 -0.007 -0.001 0.004 -0.001 -0.003 -0.001 0.001 0.002 -0.028 0.057 -0.015 -0.011 -0.021 -0.017 0.012 0.051 -0.009 0.077 -0.160 -0.138 0.001 0.001 0.001 -0.127 0.115 0.245 -0.001 -0.001 0.002 0.000 0.001 0.000 -0.005 -0.000 -0.018 -0.001 -0.002 -0.001 -0.001 -0.003 -0.003 -0.002 -0.007 0.001 0.001 0.000 0.000 -0.001 0.000 0.001 -0.004 -0.001 0.003 -0.031 -0.006 0.006 -0.000 -0.003 -0.051 -0.006 0.005 0.004 0.012 -0.002 -0.015 0.014 -0.028 0.006 0.039 -0.020 -0.033 -0.013 0.005 0.019 -0.496 0.337 0.649 -0.007 0.015 -0.009 -0.029 0.022 0.030 0.006 0.000 -0.005 0.009 -0.016 0.021 -0.008 -0.037 0.005 -0.003 0.002 0.006 -0.003 0.007 -0.004 0.083 0.002 0.025 0.005 0.042 -0.025 -0.032 -0.033 -0.023 0.106 -0.019 -0.103 0.002 0.031 -0.020 0.022 -0.002 0.009 -0.097 -0.064 0.013 -0.014 0.012 -0.018 -0.017 0.087 -0.014 0.022 -0.007 0.013 -0.014 0.004 0.017 -0.020 -0.006 -0.012 0.014 -0.001 0.005 -0.004 0.016 0.005 -0.056 -0.107 -0.076 0.001 0.002 0.006 -0.033 0.048 -0.066 0.069 -0.055 -0.013 0.005 0.013 0.003 -0.012 0.009 -0.000 0.006 -0.013 -0.020 0.251 -0.361 0.090 0.040 0.043 0.015 -0.103 -0.411 0.063 -0.189 0.122 0.151 0.002 -0.002 -0.002 -0.101 0.027 0.145 -0.000 -0.001 0.001 0.002 -0.004 0.001 0.003 0.001 -0.014 -0.001 0.015 0.006 0.004 -0.004 -0.002 0.032 0.057 -0.003 -0.006 -0.003 -0.002 0.004 -0.001 0.003 0.003 -0.001 -0.008 -0.014 -0.002 0.000 -0.236 -0.053 0.415 0.131 -0.103 0.065 -0.201 -0.096 0.042 -0.039 0.101 -0.038 0.070 -0.052 0.095 0.133 0.033 -0.066 -0.070 0.083 0.133 -0.003 -0.004 -0.000 0.031 -0.021 -0.034 0.004 0.002 -0.003 -0.010 0.022 -0.024 0.003 0.002 -0.001 -0.006 0.004 0.009 0.004 -0.002 0.002 -0.003 -0.001 -0.003 -0.001 0.001 0.002 -0.004 0.012 0.001 -0.043 0.008 0.038 -0.015 -0.042 0.023 0.007 -0.006 0.001 -0.017 -0.010 0.002 0.013 -0.010 0.014 -0.014 0.017 -0.011 0.005 -0.002 0.004 0.008 0.002 -0.003 -0.008 -0.003 -0.005 0.002 0.001 0.003 0.008 -0.019 0.003 0.013 0.033 0.026 0.006 -0.002 -0.005 -0.012 0.016 -0.022 -0.017 0.027 -0.016 0.001 -0.001 -0.001 0.012 -0.006 -0.005 -0.003 -0.000 -0.004 -0.262 0.363 -0.081 -0.005 -0.017 -0.021 -0.024 -0.097 0.016 -0.063 0.073 0.074 -0.001 -0.000 0.003 0.075 -0.035 -0.118 -0.000 -0.002 0.001 -0.000 -0.001 -0.011 -0.002 -0.001 0.012 -0.011 -0.010 0.008 -0.001 0.008 0.007 0.008 0.014 -0.001 -0.002 0.000 -0.000 -0.003 -0.001 -0.002 -0.003 -0.001 0.009 0.001 -0.002 -0.002 0.437 0.132 -0.443 -0.213 0.154 -0.253 0.303 0.253 0.111 0.002 -0.072 0.074 -0.040 0.027 -0.022 0.046 0.009 -0.019 -0.055 0.023 0.053 -0.035 0.024 -0.035 0.045 -0.026 -0.057 0.009 0.007 -0.001 -0.011 0.022 -0.024 -0.034 -0.037 -0.026 -0.000 -0.000 0.000 0.008 -0.003 -0.002 0.039 0.002 0.011 0.001 0.022 -0.018 -0.006 -0.047 0.014 0.358 -0.058 -0.356 -0.012 -0.025 0.036 -0.002 0.002 -0.003 0.010 0.007 -0.001 0.010 -0.008 0.012 0.026 -0.024 0.025 0.004 -0.003 0.001 -0.055 0.015 0.052 0.004 0.003 0.001 -0.002 -0.000 -0.001 0.003 -0.000 0.005 0.024 0.063 0.052 0.023 0.029 0.010 0.008 -0.009 0.015 0.102 -0.133 0.026 0.001 0.000 -0.001 0.012 -0.009 -0.006 0.032 -0.021 -0.016 -0.240 0.335 -0.072 0.089 0.093 0.020 0.027 0.098 -0.019 0.038 -0.059 -0.056 -0.001 -0.005 -0.002 0.149 -0.215 -0.357 0.012 0.010 -0.014 0.001 0.000 -0.017 0.003 0.004 0.025 -0.003 -0.008 -0.007 -0.001 0.006 0.005 -0.011 -0.011 0.005 -0.003 0.001 0.004 -0.004 -0.001 -0.001 -0.007 0.000 0.015 -0.006 -0.001 0.002 0.175 0.054 -0.158 -0.147 0.115 -0.144 0.181 0.172 0.112 0.012 -0.103 0.094 -0.118 0.061 0.053 -0.150 -0.002 0.066 -0.046 0.042 0.062 0.016 -0.008 -0.001 -0.036 0.023 0.054 0.002 -0.006 -0.008 -0.018 0.036 -0.036 0.000 -0.001 -0.015 0.015 -0.007 -0.023 0.001 -0.001 -0.001 0.024 0.001 0.003 0.001 0.031 -0.025 -0.004 0.004 -0.007 -0.025 0.005 0.020 0.002 0.007 -0.008 -0.001 0.005 -0.001 0.000 -0.000 0.001 0.002 -0.004 0.004 -0.006 0.006 -0.006 0.000 -0.000 0.000 0.006 0.000 0.001 0.003 -0.000 0.003 0.000 -0.002 0.001 -0.002 0.009 0.001 -0.056 0.000 0.044 -0.007 -0.010 -0.005 -0.003 0.003 -0.005 -0.003 -0.012 0.020 -0.001 -0.001 0.000 -0.006 0.002 0.003 0.000 -0.001 -0.000 0.075 -0.112 0.020 -0.011 0.007 0.028 -0.001 -0.003 0.000 0.032 -0.067 -0.059 -0.000 0.000 -0.002 0.479 -0.269 -0.779 0.000 0.001 -0.001 -0.000 0.001 0.003 0.007 -0.008 0.058 0.001 0.001 0.001 0.002 0.003 0.003 0.001 -0.000 -0.000 0.001 0.000 -0.000 0.000 0.001 -0.001 -0.001 -0.004 -0.004 -0.006 -0.004 0.007 -0.054 -0.015 0.056 0.026 -0.021 0.019 -0.031 -0.033 -0.023 0.008 0.001 -0.016 0.046 -0.025 -0.024 -0.001 0.012 0.016 -0.081 0.062 0.126 -0.001 -0.000 0.000 0.005 -0.002 -0.007 0.002 0.002 0.000 -0.000 0.001 -0.001 0.007 0.003 -0.000 0.023 -0.014 -0.033 0.027 -0.024 -0.015 0.013 -0.002 0.003 -0.006 0.005 0.011 -0.006 -0.008 0.002 0.000 -0.000 -0.000 0.003 -0.001 0.005 0.008 -0.014 0.004 0.030 0.019 -0.002 -0.002 0.002 -0.003 -0.001 0.003 0.001 -0.002 0.001 -0.002 -0.001 0.001 -0.001 0.001 0.000 0.001 -0.007 -0.001 -0.005 0.006 -0.007 -0.018 -0.441 0.360 0.756 0.000 -0.001 -0.001 0.019 -0.016 0.026 -0.001 -0.000 0.001 0.001 0.005 0.001 0.001 -0.001 -0.000 -0.000 -0.000 -0.000 -0.012 0.019 -0.005 0.002 0.000 -0.002 -0.005 -0.012 0.002 -0.100 0.149 0.144 -0.000 -0.000 0.000 -0.023 0.017 0.042 0.000 -0.000 0.000 0.000 -0.002 0.001 -0.001 0.000 -0.003 0.001 0.005 0.006 0.000 0.001 0.001 0.001 0.002 -0.000 0.000 -0.001 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.001 -0.006 0.004 0.000 -0.002 -0.004 -0.000 0.067 -0.049 -0.017 -0.048 -0.065 -0.061 -0.026 0.058 -0.017 -0.059 0.037 -0.114 0.007 0.006 0.002 -0.016 0.006 0.010 -0.002 0.003 -0.002 0.001 0.000 -0.001 0.000 -0.000 0.000 0.002 -0.002 0.003 -0.002 -0.004 0.001 0.019 -0.010 -0.027 -0.016 0.009 0.009 0.009 0.001 0.003 0.015 -0.000 -0.011 -0.002 -0.004 -0.005 0.007 -0.002 -0.007 -0.001 0.002 -0.004 -0.006 0.048 0.007 0.468 0.301 -0.028 -0.002 0.004 -0.004 -0.007 0.028 -0.008 0.026 -0.011 0.017 -0.001 0.000 0.001 -0.020 -0.001 -0.016 -0.107 -0.035 -0.023 0.017 -0.000 0.009 0.240 -0.186 -0.396 -0.001 0.006 0.000 0.149 -0.114 0.197 0.011 0.005 -0.020 -0.002 -0.011 -0.001 0.001 0.001 -0.000 -0.002 -0.001 -0.005 0.012 -0.008 -0.002 0.014 0.004 -0.014 -0.053 -0.183 0.028 0.118 -0.368 -0.309 0.000 -0.001 0.001 -0.007 0.004 0.012 -0.000 -0.001 -0.000 -0.000 0.002 -0.001 0.001 0.001 -0.002 -0.003 0.006 0.004 -0.001 -0.003 -0.003 0.015 0.025 -0.001 -0.004 0.003 -0.002 0.000 0.000 0.001 -0.000 0.001 -0.000 -0.006 0.001 0.006 -0.036 -0.012 0.020 -0.010 0.002 -0.156 0.038 0.085 0.099 0.030 -0.073 0.025 0.045 -0.027 0.043 0.055 0.001 -0.039 0.009 0.009 0.006 0.002 0.000 -0.000 -0.005 0.003 0.007 -0.001 -0.006 0.001 0.007 -0.017 0.019 -0.008 -0.011 -0.004 -0.077 0.047 0.111 -0.004 -0.001 0.001 0.007 0.002 0.004 -0.011 0.084 -0.049 0.001 0.002 0.001 0.002 0.001 -0.001 0.001 0.007 -0.003 0.027 -0.061 0.016 0.137 0.091 -0.007 0.001 -0.000 0.001 0.005 -0.000 0.002 0.006 -0.003 0.004 0.001 -0.002 0.001 -0.012 0.001 -0.010 -0.006 -0.019 0.013 0.007 -0.032 -0.004 0.018 -0.042 -0.062 0.000 0.005 0.002 -0.101 0.095 -0.149 0.002 0.001 -0.001 -0.006 -0.026 -0.002 -0.000 0.002 -0.000 0.003 0.001 0.000 0.035 -0.036 0.002 0.015 0.000 -0.024 0.012 0.048 -0.004 -0.384 0.603 0.583 0.000 0.000 0.001 0.025 -0.034 -0.060 -0.000 0.001 0.001 0.001 0.003 -0.000 0.001 0.002 0.004 0.003 0.001 -0.001 -0.001 -0.007 -0.007 -0.002 -0.008 0.003 -0.001 0.004 -0.000 0.000 0.001 0.001 -0.001 0.003 -0.004 0.013 -0.021 -0.008 -0.079 -0.024 0.060 0.003 0.005 -0.001 0.000 0.004 0.003 0.035 -0.051 -0.003 0.061 -0.035 -0.030 -0.038 -0.009 0.013 0.027 0.014 0.015 -0.007 -0.003 -0.009 0.006 -0.007 -0.012 0.000 0.001 0.002 0.025 -0.056 0.063 -0.001 0.013 -0.008 0.031 -0.018 -0.046 -0.009 -0.009 0.007 -0.009 -0.001 -0.004 -0.001 -0.002 0.001 0.005 0.003 0.002 -0.010 0.002 0.009 0.008 0.004 -0.004 0.002 -0.004 -0.002 -0.015 -0.010 0.000 -0.204 0.209 -0.299 0.001 0.004 -0.003 0.092 -0.049 0.062 0.003 -0.000 0.001 -0.005 0.002 -0.005 0.003 0.001 0.001 0.002 -0.005 0.005 0.131 0.115 0.028 0.010 -0.026 -0.001 -0.002 0.002 -0.003 -0.011 -0.006 0.023 -0.010 -0.048 -0.005 -0.006 -0.006 0.012 0.001 -0.000 -0.001 0.027 0.059 -0.085 0.405 0.124 -0.431 0.005 0.014 -0.003 -0.008 0.016 0.013 -0.006 -0.021 0.022 0.072 -0.037 -0.115 -0.001 0.000 0.003 0.002 0.007 -0.002 -0.001 0.001 0.013 -0.002 -0.007 -0.004 -0.013 -0.037 -0.040 0.000 -0.002 0.002 -0.013 0.015 -0.009 0.032 -0.020 0.054 -0.007 0.009 -0.009 -0.004 0.002 0.008 -0.234 -0.101 -0.035 -0.162 0.127 -0.179 0.172 0.207 0.177 0.082 -0.235 0.105 -0.021 0.029 -0.185 -0.010 0.010 0.017 0.041 0.023 0.016 -0.008 -0.002 -0.002 0.006 -0.005 -0.009 0.001 0.004 0.000 0.008 -0.019 0.018 0.004 0.030 -0.005 0.274 -0.163 -0.408 -0.012 0.014 0.010 -0.085 -0.001 -0.041 0.005 -0.023 0.012 0.014 0.011 0.004 0.012 -0.004 -0.012 -0.000 -0.005 -0.002 0.016 -0.037 0.009 0.058 0.041 -0.005 0.025 -0.026 0.036 -0.002 -0.007 0.001 -0.005 0.003 -0.004 -0.002 -0.001 0.002 0.021 0.001 0.016 0.004 -0.010 0.013 0.003 -0.025 -0.000 0.202 -0.183 -0.360 -0.000 -0.000 -0.001 -0.086 0.078 -0.124 0.018 -0.004 -0.018 0.006 0.025 0.002 0.001 -0.001 -0.001 0.001 0.000 -0.006 -0.041 0.030 0.008 -0.047 -0.009 0.059 0.004 0.014 -0.000 -0.261 0.389 0.374 0.000 0.002 -0.003 -0.022 0.069 0.089 -0.000 -0.000 -0.001 -0.001 -0.002 -0.001 -0.002 -0.003 -0.007 0.001 -0.000 -0.004 0.004 0.019 0.017 -0.005 -0.002 -0.001 0.000 -0.004 0.001 -0.005 0.001 -0.008 -0.000 0.004 -0.001 -0.033 0.022 0.074 0.080 0.029 -0.021 0.015 -0.008 0.073 -0.029 -0.024 -0.014 -0.029 0.045 0.002 -0.089 0.045 0.226 0.054 0.013 -0.027 -0.030 -0.031 -0.029 -0.008 -0.006 -0.008 0.008 -0.008 -0.011 0.000 0.003 0.002 0.036 -0.087 0.093 -0.009 0.007 -0.007 -0.011 0.007 0.017 0.009 0.011 -0.005 0.003 -0.000 0.001 0.002 -0.001 0.000 -0.006 0.001 -0.002 0.005 0.000 -0.007 -0.011 -0.026 0.022 -0.002 0.003 0.002 0.017 0.010 -0.001 -0.051 0.053 -0.077 -0.006 0.005 0.001 -0.175 0.093 -0.115 0.001 0.002 0.003 0.022 -0.002 0.018 -0.002 -0.003 -0.000 -0.003 0.010 -0.004 -0.149 -0.178 -0.082 0.022 -0.004 0.003 -0.002 0.001 -0.002 -0.013 -0.027 0.054 0.017 0.079 0.006 -0.002 0.005 -0.002 0.000 -0.000 0.000 -0.047 0.057 -0.012 0.050 0.011 -0.060 -0.006 -0.014 0.004 0.006 -0.017 -0.013 0.001 -0.001 0.001 0.090 -0.047 -0.145 -0.001 0.003 0.001 -0.000 -0.008 -0.007 -0.001 -0.000 0.014 -0.000 0.009 0.006 -0.004 -0.015 -0.015 -0.002 0.002 -0.003 0.024 -0.028 0.016 0.008 -0.005 0.016 -0.008 0.015 -0.014 0.001 -0.003 -0.003 0.470 0.166 -0.300 0.191 -0.152 0.231 -0.177 -0.271 -0.278 -0.134 0.268 -0.049 0.031 -0.040 0.246 0.007 -0.004 -0.010 0.068 0.041 0.031 0.021 0.016 0.014 -0.025 0.016 0.034 -0.006 -0.014 -0.004 -0.089 0.215 -0.227 0.009 -0.028 0.019 -0.004 0.003 0.004 0.011 0.009 -0.008 0.002 0.003 -0.000 0.000 0.022 -0.017 -0.008 -0.001 -0.004 0.003 0.000 -0.004 -0.008 -0.014 0.004 0.003 -0.005 0.003 0.017 0.011 -0.001 -0.056 0.056 -0.082 -0.001 0.004 0.004 0.023 -0.011 0.011 -0.002 0.001 -0.001 0.012 0.001 0.009 -0.002 -0.004 -0.001 -0.004 0.017 0.000 -0.113 -0.169 -0.103 0.003 0.000 -0.011 -0.004 0.004 -0.007 0.007 -0.012 0.007 0.005 0.027 0.003 -0.007 -0.004 -0.003 -0.000 0.001 0.002 -0.079 0.041 0.015 0.207 0.058 -0.229 0.003 0.015 -0.001 -0.043 0.054 0.056 -0.004 -0.011 0.013 -0.158 0.065 0.239 -0.000 -0.001 -0.000 -0.002 -0.013 -0.003 0.004 0.002 -0.024 -0.000 0.003 0.007 -0.001 0.004 0.001 -0.002 -0.003 -0.001 -0.004 -0.002 -0.002 0.008 -0.008 0.013 0.019 -0.035 0.032 0.001 -0.003 0.002 0.348 0.140 0.006 0.153 -0.121 0.194 -0.142 -0.224 -0.244 -0.163 0.305 -0.039 -0.057 0.007 0.337 -0.004 -0.005 -0.003 -0.133 -0.089 -0.067 0.008 0.008 0.007 -0.010 0.007 0.015 -0.001 -0.005 -0.001 -0.029 0.071 -0.075 0.006 -0.008 0.006 0.003 -0.002 -0.006 -0.009 -0.008 0.005 -0.004 0.001 -0.002 -0.002 0.006 -0.004 -0.007 0.004 -0.008 0.000 0.001 0.002 0.007 0.023 -0.020 0.002 -0.004 -0.000 0.003 0.002 -0.000 -0.024 0.023 -0.034 -0.001 -0.003 -0.007 -0.175 0.091 -0.108 0.000 -0.005 -0.001 0.066 -0.001 0.054 -0.001 0.001 0.000 0.004 -0.017 0.002 0.135 0.130 0.037 0.004 -0.001 0.014 -0.001 0.002 -0.003 0.027 -0.027 0.012 0.010 0.045 -0.000 0.002 -0.008 0.004 -0.001 0.002 -0.002 -0.016 0.042 -0.026 -0.129 -0.023 0.162 -0.002 -0.016 0.002 -0.024 0.036 0.034 0.001 0.007 -0.011 -0.060 0.029 0.095 -0.006 0.005 0.002 0.001 0.020 0.002 0.001 0.000 -0.009 0.002 -0.006 -0.008 -0.002 -0.006 -0.005 -0.009 0.002 -0.007 0.024 -0.023 0.017 0.006 -0.002 0.005 0.006 -0.012 0.011 0.001 0.001 0.003 -0.391 -0.132 0.268 -0.184 0.146 -0.216 0.138 0.279 0.333 0.245 -0.385 -0.016 -0.006 0.023 -0.214 0.048 -0.027 -0.066 -0.058 -0.037 -0.027 -0.002 0.008 -0.003 0.001 0.000 -0.006 0.001 0.003 -0.001 0.006 -0.012 0.014 0.001 -0.005 -0.001 -0.015 0.009 0.021 -0.006 -0.002 0.003 0.008 -0.000 0.003 -0.002 0.019 -0.014 -0.019 0.009 -0.014 -0.003 0.001 0.005 -0.000 -0.006 0.008 0.003 -0.007 0.001 0.006 0.003 -0.000 0.003 -0.008 0.003 -0.008 -0.025 -0.008 0.153 -0.072 0.099 -0.003 -0.000 0.002 0.165 0.005 0.135 -0.002 -0.001 -0.003 0.001 -0.001 0.000 0.024 0.003 -0.014 -0.011 -0.004 -0.005 0.006 -0.005 0.007 0.302 0.043 -0.411 0.107 0.404 0.029 0.004 0.014 -0.001 0.000 0.011 -0.000 0.157 -0.117 -0.021 -0.267 -0.102 0.250 0.006 0.005 0.003 -0.049 0.050 0.055 0.006 0.016 -0.016 0.007 -0.016 -0.020 -0.015 -0.009 -0.003 -0.015 -0.001 -0.003 0.001 0.002 0.003 -0.002 0.002 -0.008 -0.022 -0.114 -0.096 -0.026 -0.002 -0.019 -0.031 -0.044 -0.016 0.003 0.013 0.015 -0.002 0.002 -0.002 0.002 -0.003 -0.001 -0.027 -0.032 -0.271 -0.015 0.021 0.050 -0.031 0.030 0.102 -0.133 -0.088 0.304 0.062 -0.031 -0.093 0.049 -0.091 -0.142 0.018 0.021 0.019 0.007 0.006 0.005 -0.007 0.004 0.010 -0.001 -0.004 -0.000 -0.008 0.020 -0.021 -0.001 -0.002 -0.001 0.016 -0.009 -0.024 -0.008 0.004 0.006 -0.004 0.001 -0.003 -0.006 0.070 -0.055 0.042 -0.008 0.028 -0.006 0.001 0.004 0.001 0.003 0.000 0.024 -0.040 0.001 -0.050 -0.036 0.007 -0.014 0.010 -0.019 -0.009 -0.040 -0.003 -0.033 0.023 -0.021 0.002 0.001 0.000 -0.338 -0.011 -0.275 -0.004 0.016 -0.022 -0.004 0.003 0.014 0.121 -0.045 -0.149 -0.008 0.001 -0.002 0.079 -0.068 0.106 0.171 -0.024 -0.160 0.043 0.168 0.011 0.002 0.004 -0.000 0.002 -0.016 0.005 0.047 -0.029 -0.014 -0.235 -0.064 0.258 0.011 0.044 -0.009 -0.232 0.344 0.332 0.003 0.013 -0.016 -0.002 0.007 0.008 -0.011 -0.000 -0.001 -0.005 0.007 -0.001 0.000 -0.000 -0.001 0.001 -0.004 0.002 -0.013 -0.056 -0.049 0.046 0.002 0.038 0.002 -0.027 0.003 0.006 0.004 0.011 0.002 -0.003 0.003 -0.002 -0.009 0.012 -0.085 -0.033 -0.005 -0.049 0.034 -0.075 0.103 0.013 -0.087 0.006 -0.118 0.106 0.055 -0.023 -0.079 -0.162 0.160 0.301 -0.014 -0.012 -0.007 -0.007 -0.009 -0.005 0.006 -0.004 -0.009 -0.000 0.003 -0.001 0.008 -0.021 0.022 -0.003 -0.004 -0.001 -0.001 -0.000 -0.003 -0.008 0.009 0.002 0.000 0.000 -0.001 -0.012 0.116 -0.093 -0.011 0.012 -0.011 -0.007 0.001 0.007 0.000 0.000 -0.002 0.036 -0.061 0.002 -0.069 -0.052 0.011 0.006 -0.003 0.008 0.002 0.014 0.000 0.006 -0.005 0.003 0.001 -0.001 -0.001 0.104 0.003 0.084 -0.010 0.023 -0.035 -0.005 0.021 0.021 0.128 -0.110 -0.230 0.005 -0.001 0.002 0.130 -0.108 0.171 -0.084 0.007 0.087 -0.013 -0.049 -0.004 -0.002 -0.002 0.000 -0.002 0.006 0.000 -0.028 -0.006 0.031 0.109 0.025 -0.125 0.008 0.007 0.005 -0.383 0.524 0.515 -0.000 -0.006 0.007 0.022 -0.010 -0.034 0.005 0.001 0.001 0.002 -0.002 0.000 -0.002 -0.000 0.004 -0.002 -0.004 -0.008 0.018 0.075 0.066 -0.015 -0.003 -0.012 0.000 0.007 -0.001 -0.005 -0.008 -0.011 -0.002 0.003 -0.003 0.001 -0.015 0.014 0.042 0.017 -0.008 -0.027 0.018 0.116 -0.045 0.022 0.093 -0.002 0.034 -0.029 0.005 -0.005 0.068 0.059 -0.056 -0.104 0.038 0.031 0.029 0.007 0.011 -0.002 -0.012 0.010 0.003 -0.000 -0.002 0.000 -0.010 0.026 -0.026 0.002 -0.005 -0.002 0.009 -0.006 -0.014 -0.008 0.004 0.009 -0.006 0.000 -0.002 -0.002 0.004 -0.003 0.000 0.004 0.001 0.014 -0.001 -0.015 0.001 -0.016 0.037 0.004 -0.006 -0.000 -0.008 -0.006 0.001 0.010 -0.016 0.015 0.004 0.010 0.003 -0.024 0.010 -0.014 -0.005 0.003 0.003 0.015 0.001 0.012 -0.001 0.003 -0.003 -0.001 -0.002 -0.000 0.036 0.004 -0.022 0.002 0.005 0.003 0.012 -0.010 0.015 -0.093 0.003 0.099 -0.026 -0.106 -0.007 -0.004 0.034 0.000 -0.001 0.002 -0.001 0.390 -0.417 0.036 -0.079 -0.007 0.104 -0.000 -0.004 0.001 -0.040 0.060 0.057 -0.001 0.004 -0.006 -0.032 0.022 0.057 0.006 0.002 -0.002 0.004 -0.001 -0.007 0.001 -0.001 -0.007 -0.002 0.007 -0.006 -0.027 -0.132 -0.116 -0.002 0.000 -0.001 0.006 0.014 0.002 0.002 0.017 0.016 0.003 -0.003 0.006 -0.000 0.002 0.004 0.027 -0.040 -0.669 0.005 -0.006 0.059 -0.013 -0.023 0.003 -0.024 -0.050 0.091 0.171 -0.084 -0.249 0.027 -0.012 -0.033 -0.047 -0.034 -0.026 -0.002 0.005 0.003 0.003 -0.004 0.002 -0.000 0.000 -0.000 0.002 -0.005 0.005 -0.004 -0.000 0.001 -0.002 0.002 0.003 0.010 0.001 -0.010 0.001 0.000 0.000 -0.000 0.008 -0.007 -0.005 -0.002 -0.002 -0.001 -0.001 0.003 0.001 0.000 -0.013 0.002 -0.003 -0.000 -0.004 -0.003 0.001 -0.024 0.021 -0.036 0.003 0.010 0.001 0.015 -0.010 0.009 0.003 0.003 0.001 0.019 0.001 0.016 -0.000 0.001 -0.002 -0.000 0.005 0.002 -0.016 -0.023 -0.015 -0.010 -0.027 -0.003 0.007 -0.006 0.010 0.044 0.030 -0.097 -0.017 -0.073 -0.002 0.006 -0.011 -0.003 -0.000 0.001 0.000 -0.173 0.225 -0.052 -0.528 -0.128 0.610 -0.000 -0.001 0.001 -0.021 0.028 0.027 0.007 0.028 -0.039 0.014 -0.006 -0.022 -0.001 -0.004 -0.002 0.000 -0.005 0.004 -0.000 0.000 0.003 -0.000 -0.002 0.006 -0.017 -0.054 -0.049 -0.002 -0.000 -0.002 -0.002 0.014 -0.001 0.013 0.001 0.014 -0.001 0.001 -0.001 0.000 -0.002 -0.000 0.059 0.038 0.235 0.004 -0.006 0.002 0.018 -0.022 -0.069 -0.024 0.109 -0.074 -0.193 0.095 0.290 0.007 -0.009 -0.014 0.013 0.010 0.009 -0.011 -0.017 -0.012 -0.002 0.004 -0.009 0.000 -0.002 0.001 -0.004 0.011 -0.012 0.001 -0.004 -0.002 -0.003 0.001 0.004 -0.008 0.000 0.010 0.001 -0.000 0.001 0.000 -0.008 0.007 0.001 -0.003 0.001 0.010 -0.002 -0.009 -0.002 -0.012 0.025 -0.003 0.004 0.001 0.010 0.007 -0.001 -0.044 0.044 -0.059 0.004 0.001 0.002 0.009 -0.005 0.005 -0.004 0.003 0.001 -0.004 0.000 -0.004 0.000 -0.002 0.003 0.001 -0.004 -0.003 -0.003 0.002 0.008 0.005 -0.019 0.008 -0.012 0.010 -0.016 0.131 0.029 -0.196 -0.000 -0.006 0.000 -0.009 0.021 -0.004 0.002 -0.001 0.000 0.165 -0.341 0.170 -0.400 -0.111 0.454 0.001 0.004 -0.001 0.025 -0.037 -0.035 0.019 0.023 -0.036 -0.033 0.011 0.046 -0.007 -0.007 -0.000 -0.003 -0.003 -0.007 -0.000 0.000 -0.005 -0.001 0.003 -0.004 0.039 0.163 0.142 -0.000 -0.001 0.000 -0.000 0.004 -0.001 0.003 -0.031 -0.010 0.003 -0.002 0.004 0.000 0.002 -0.001 0.039 -0.016 -0.417 0.016 -0.010 0.041 -0.016 -0.026 -0.008 -0.072 -0.024 0.144 0.193 -0.099 -0.261 -0.026 0.003 0.021 -0.010 -0.013 -0.016 -0.001 0.004 0.002 0.002 -0.002 0.002 0.001 0.000 0.001 -0.001 0.001 -0.001 0.001 0.005 -0.004 0.005 -0.004 -0.008 -0.017 0.006 0.022 -0.006 -0.000 -0.002 -0.001 -0.003 0.003 0.009 -0.001 0.000 0.006 -0.001 -0.004 -0.021 0.003 0.001 0.000 -0.001 0.000 -0.001 -0.001 0.000 -0.002 0.002 -0.003 -0.000 0.002 0.002 0.006 -0.004 0.002 -0.002 -0.001 0.001 0.003 0.000 0.003 0.000 0.000 -0.001 0.000 0.004 -0.001 -0.038 -0.066 -0.035 0.000 -0.001 -0.005 0.002 -0.002 0.002 0.078 0.014 -0.109 -0.003 -0.011 -0.000 0.002 -0.012 -0.004 0.001 0.000 -0.000 -0.182 0.176 -0.003 -0.024 -0.005 0.027 0.000 0.001 -0.000 -0.005 0.008 0.007 -0.001 0.001 -0.001 -0.004 -0.001 0.005 -0.005 -0.004 0.004 -0.000 -0.003 0.009 0.000 0.000 -0.000 0.001 0.001 -0.012 -0.006 -0.019 -0.018 -0.000 -0.001 -0.001 -0.002 0.003 0.000 0.003 0.002 0.003 -0.000 -0.000 -0.000 0.000 0.003 0.003 0.274 0.143 0.273 0.050 -0.035 0.112 -0.143 0.011 0.156 0.047 0.135 -0.211 0.477 -0.253 -0.564 -0.012 0.000 0.007 -0.018 -0.013 -0.011 0.001 -0.001 -0.000 -0.001 0.000 -0.001 -0.000 0.000 -0.000 0.000 -0.001 0.001 0.001 0.001 0.002 -0.000 0.000 0.000 0.005 -0.000 -0.007 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.006 0.003 0.002 -0.007 0.005 0.007 0.002 -0.006 0.003 0.000 -0.000 0.000 -0.001 -0.001 0.000 0.005 -0.004 0.007 0.001 0.011 -0.002 -0.008 0.004 -0.006 -0.000 -0.001 -0.001 0.012 0.001 0.009 0.000 -0.000 -0.001 -0.001 0.004 0.000 -0.009 0.007 0.013 0.008 0.001 -0.003 0.002 -0.001 0.002 0.424 0.045 -0.545 -0.006 -0.026 -0.002 -0.001 0.004 0.001 0.021 -0.019 -0.007 0.057 -0.049 -0.006 0.099 0.031 -0.106 -0.001 -0.005 -0.001 -0.002 0.002 0.002 -0.002 -0.005 0.006 0.004 0.000 -0.004 -0.034 -0.017 0.020 -0.000 0.006 0.019 -0.000 -0.000 0.000 0.003 0.003 -0.015 -0.000 -0.005 -0.004 -0.001 0.000 -0.003 0.002 0.005 0.004 -0.002 0.002 -0.000 -0.000 0.000 -0.000 -0.000 -0.001 -0.000 0.006 -0.012 -0.150 0.035 -0.019 0.034 -0.126 0.039 0.214 0.191 -0.032 -0.305 -0.123 0.062 0.171 -0.281 0.140 0.350 0.005 0.004 0.004 0.003 -0.002 0.002 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.003 0.002 0.001 0.001 -0.000 -0.001 -0.002 0.000 0.003 -0.000 0.000 -0.000 -0.000 0.002 -0.002 0.004 0.001 -0.006 0.011 -0.004 -0.002 -0.001 0.006 0.006 0.001 -0.001 -0.001 -0.003 -0.002 0.000 0.003 -0.003 0.004 0.008 0.005 -0.008 -0.008 0.004 -0.006 -0.004 -0.001 0.002 -0.007 -0.000 -0.005 -0.000 0.001 -0.000 0.001 -0.003 0.002 0.025 0.001 -0.018 0.005 -0.000 -0.001 0.003 -0.002 0.004 0.308 0.038 -0.408 -0.004 -0.019 -0.002 -0.000 0.000 0.002 -0.024 0.022 0.009 0.026 -0.000 -0.024 0.076 0.025 -0.079 0.002 0.006 0.001 -0.002 0.004 0.003 -0.002 -0.004 0.005 0.005 -0.007 -0.012 -0.024 -0.012 0.013 -0.001 0.002 0.007 -0.000 0.000 0.001 -0.005 -0.005 0.031 -0.000 -0.002 -0.002 -0.000 -0.001 0.004 0.002 0.003 0.004 -0.001 0.001 -0.001 -0.000 0.000 -0.000 -0.000 -0.000 0.001 -0.068 -0.022 0.020 -0.066 0.035 -0.087 0.283 -0.107 -0.500 0.088 -0.023 -0.135 0.036 -0.015 -0.074 0.332 -0.177 -0.428 0.003 0.003 0.003 -0.003 0.004 -0.002 0.001 -0.000 -0.000 0.001 0.001 0.001 0.000 -0.001 0.001 -0.001 0.000 -0.001 0.001 -0.002 -0.004 -0.006 0.001 0.007 -0.005 0.000 -0.002 -0.001 -0.001 -0.000 -0.008 0.002 -0.010 -0.006 0.005 0.001 -0.001 0.011 -0.000 0.001 -0.002 -0.000 -0.002 -0.001 0.000 0.004 -0.003 0.005 0.003 0.013 0.001 -0.009 0.005 -0.005 0.002 -0.005 -0.000 0.035 0.001 0.028 -0.001 0.001 -0.001 0.002 -0.003 0.002 0.034 -0.005 -0.031 0.002 0.005 0.006 0.003 -0.002 0.004 0.036 -0.002 -0.040 -0.003 -0.013 -0.001 0.002 -0.003 -0.001 0.029 -0.026 -0.010 -0.028 0.032 -0.004 0.021 0.007 -0.022 -0.004 -0.015 0.004 -0.011 0.014 0.013 -0.001 -0.001 0.002 -0.008 0.007 0.016 -0.004 -0.002 -0.000 -0.003 -0.008 -0.021 -0.000 -0.000 -0.001 -0.002 -0.010 0.029 -0.002 -0.006 -0.005 -0.007 0.006 -0.008 0.004 0.002 0.001 -0.000 0.002 -0.001 0.000 0.000 0.000 0.002 0.001 0.002 -0.074 -0.012 0.161 -0.084 0.052 -0.078 0.308 -0.099 -0.504 -0.202 0.018 0.327 0.108 -0.052 -0.171 -0.371 0.183 0.463 -0.025 -0.017 -0.015 -0.006 0.001 -0.005 0.000 -0.000 -0.003 0.003 0.000 0.003 0.000 -0.001 0.000 -0.005 -0.004 -0.003 -0.001 -0.000 -0.000 -0.001 0.001 0.002 -0.000 0.001 0.000 -0.000 0.000 -0.001 -0.004 -0.003 -0.004 0.002 -0.000 -0.007 -0.007 -0.001 0.016 0.000 -0.001 0.000 0.000 -0.000 -0.000 -0.005 0.004 -0.007 0.001 -0.014 -0.002 0.020 -0.011 0.013 0.002 0.001 0.003 0.012 0.000 0.009 -0.000 0.000 -0.000 0.000 -0.004 0.001 0.015 -0.006 -0.018 -0.006 0.003 -0.006 -0.000 0.000 -0.000 -0.222 -0.024 0.299 0.008 0.036 0.002 -0.001 0.004 -0.001 0.009 -0.009 -0.004 0.016 -0.050 0.033 -0.071 -0.027 0.068 -0.003 -0.009 0.002 -0.005 0.006 0.006 0.003 0.004 -0.005 -0.010 0.007 0.017 0.019 0.011 -0.006 0.005 0.017 0.043 -0.000 -0.000 -0.001 -0.002 -0.003 0.017 0.002 0.007 0.006 -0.003 0.005 -0.003 -0.010 -0.008 -0.005 0.001 -0.003 0.001 0.001 0.001 0.001 0.001 0.001 0.001 -0.016 -0.012 -0.125 -0.029 0.014 -0.055 0.166 -0.078 -0.309 0.436 -0.070 -0.669 0.014 -0.008 -0.032 -0.114 0.061 0.149 -0.056 -0.039 -0.035 0.003 -0.007 0.002 -0.001 -0.003 0.000 0.036 0.004 0.030 0.005 -0.016 0.016 -0.010 -0.004 -0.006 -0.002 0.001 0.003 0.001 0.000 -0.001 0.019 0.007 0.009 0.000 0.007 -0.006 -0.001 0.000 -0.001 -0.001 -0.000 0.001 0.000 -0.000 -0.002 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.001 0.001 -0.000 -0.001 0.002 -0.001 0.001 -0.000 0.000 0.001 0.001 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.001 0.001 -0.005 -0.005 -0.002 0.001 -0.002 0.000 0.001 -0.000 0.001 0.016 0.002 -0.022 0.000 -0.000 0.000 -0.003 -0.000 0.009 -0.001 0.001 0.000 0.098 0.057 -0.147 0.001 0.000 -0.002 0.000 0.000 -0.000 0.001 -0.004 -0.003 -0.000 0.000 -0.000 0.024 0.000 -0.027 -0.001 -0.001 0.000 -0.001 -0.001 -0.002 -0.001 -0.002 0.002 0.000 0.001 -0.001 0.001 0.005 0.004 0.000 -0.001 0.000 0.000 0.000 0.000 -0.001 -0.001 -0.001 -0.001 0.008 -0.004 -0.001 -0.003 0.001 0.015 0.007 0.020 0.014 -0.010 -0.014 -0.023 0.005 0.032 -0.025 0.009 0.033 -0.013 0.007 0.024 0.017 -0.009 -0.022 -0.724 -0.495 -0.429 0.001 -0.007 -0.003 -0.007 -0.003 0.008 -0.008 -0.004 -0.007 -0.002 0.004 -0.005 0.001 -0.000 0.001 0.000 -0.001 -0.001 -0.000 0.000 0.001 -0.003 -0.002 -0.001 0.000 -0.002 0.002 0.000 -0.002 0.001 0.002 -0.001 -0.002 -0.003 -0.002 0.001 -0.000 0.000 0.000 0.000 0.000 -0.000 0.003 0.002 -0.000 0.001 -0.001 0.001 0.001 -0.001 0.001 -0.001 0.001 -0.001 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.001 0.000 -0.001 -0.007 -0.008 -0.002 0.001 0.002 0.001 -0.000 0.000 -0.000 -0.018 -0.000 0.022 0.000 0.001 0.000 -0.019 0.003 0.044 0.001 -0.001 -0.000 0.561 0.241 -0.758 -0.034 -0.010 0.031 -0.000 -0.000 0.000 -0.001 0.001 0.001 -0.001 0.003 -0.002 -0.011 0.006 0.018 0.002 0.001 -0.001 -0.000 -0.000 0.001 0.000 -0.000 -0.002 -0.000 -0.002 -0.001 0.005 0.016 0.015 -0.000 0.000 -0.000 -0.001 -0.000 -0.000 -0.003 -0.006 -0.003 0.001 -0.000 0.002 0.000 0.001 -0.000 0.073 0.036 0.049 -0.013 0.010 0.039 0.005 0.002 -0.006 0.006 0.018 -0.026 0.024 -0.014 -0.026 -0.015 0.007 0.019 0.132 0.088 0.081 0.001 -0.000 0.001 0.000 0.000 0.000 0.001 0.000 0.001 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.001 0.001 -0.002 -0.004 0.002 0.000 0.001 0.001 -0.002 0.003 0.001 -0.004 0.005 -0.001 -0.000 0.000 0.000 -0.000 -0.001 -0.001 0.003 0.001 0.007 0.005 0.000 -0.000 -0.000 0.000 0.001 -0.000 -0.004 -0.001 0.000 -0.000 0.000 0.001 0.000 -0.006 -0.001 -0.005 -0.001 -0.003 0.000 0.012 0.001 -0.017 -0.032 0.031 0.058 -0.001 -0.001 -0.000 -0.001 0.001 -0.002 0.001 -0.002 0.002 0.000 0.001 -0.000 0.001 -0.001 -0.001 -0.001 -0.000 0.000 -0.022 -0.006 0.026 0.004 0.002 -0.003 -0.007 -0.007 0.004 0.008 -0.014 -0.013 -0.000 -0.000 0.000 0.003 -0.001 -0.004 -0.000 0.000 -0.000 -0.000 0.001 0.001 0.000 -0.000 0.000 -0.005 -0.030 -0.033 -0.000 -0.000 -0.000 0.004 0.004 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.001 0.000 -0.001 -0.029 -0.013 0.013 -0.402 0.303 0.834 0.169 0.084 -0.019 0.018 -0.025 -0.006 -0.016 0.006 0.040 0.006 -0.003 -0.006 -0.022 -0.015 -0.012 -0.000 -0.000 -0.000 0.000 -0.000 -0.001 0.000 0.000 0.000 0.000 -0.000 0.000 0.001 0.000 -0.000 -0.000 0.000 0.000 0.030 0.006 0.021 0.000 -0.000 0.000 0.000 0.000 -0.001 0.000 0.000 -0.000 0.000 0.000 0.000 0.005 -0.000 0.003 0.000 0.000 -0.000 0.001 0.001 -0.000 0.000 -0.000 0.000 -0.001 0.000 0.001 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.001 -0.000 -0.000 -0.000 -0.000 -0.000 0.006 -0.001 0.002 -0.239 -0.263 -0.097 0.000 -0.000 0.000 0.000 0.000 -0.000 0.001 0.001 -0.001 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.001 -0.001 0.001 0.000 -0.000 -0.000 -0.001 -0.001 0.001 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.001 0.001 -0.000 0.000 0.000 0.048 -0.003 0.013 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.005 -0.005 -0.010 -0.457 0.376 -0.213 -0.427 -0.318 -0.035 -0.014 0.028 -0.008 -0.261 0.187 -0.273 -0.000 -0.002 -0.002 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.001 -0.000 -0.000 -0.000 0.000 0.000 0.040 0.008 0.028 0.000 -0.000 0.000 0.001 0.000 -0.000 -0.001 -0.001 0.002 -0.000 -0.000 0.000 0.004 -0.003 0.002 -0.000 0.000 0.001 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.001 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.001 0.005 -0.000 -0.367 -0.391 -0.135 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.001 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.001 -0.001 0.002 0.001 0.000 -0.000 0.000 0.000 -0.001 -0.002 0.001 0.002 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.001 0.000 0.000 -0.000 -0.030 0.002 -0.009 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.044 -0.024 0.005 0.301 -0.248 0.165 0.292 0.225 0.040 0.009 -0.021 0.008 -0.385 0.271 -0.386 0.001 0.001 0.001 0.001 0.000 0.001 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 -0.004 0.002 0.000 0.000 0.000 -0.000 0.001 -0.001 0.000 -0.000 0.001 0.000 -0.000 -0.000 0.001 -0.001 0.001 0.000 -0.000 -0.001 -0.000 -0.001 -0.000 -0.000 0.000 -0.000 -0.000 -0.001 0.001 0.001 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.001 -0.001 0.002 0.001 -0.002 -0.014 -0.005 -0.015 0.030 -0.026 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.002 0.000 0.001 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.001 0.000 0.001 0.001 0.001 0.000 -0.000 0.000 0.001 0.000 0.001 -0.000 -0.005 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.001 0.000 0.000 0.000 0.039 0.058 -0.000 0.000 0.000 0.000 0.001 -0.000 -0.001 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.004 -0.003 0.007 -0.616 -0.782 0.019 0.024 -0.002 0.019 -0.006 0.003 -0.003 0.010 0.022 0.001 0.000 -0.001 0.004 -0.001 0.002 -0.002 -0.001 0.000 -0.001 -0.000 -0.001 -0.001 -0.016 0.051 -0.036 -0.000 -0.000 -0.000 -0.000 0.001 -0.000 0.000 -0.000 -0.000 -0.006 -0.010 -0.001 0.007 -0.004 0.005 0.000 -0.001 0.001 0.001 0.001 0.000 0.000 0.000 -0.000 0.001 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.002 -0.006 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.001 0.001 0.000 0.000 -0.000 0.003 0.003 0.004 0.000 -0.000 0.000 -0.054 -0.052 -0.051 -0.001 0.001 -0.000 0.000 0.000 0.000 -0.001 0.001 0.004 0.000 -0.000 -0.000 -0.003 0.001 -0.002 -0.000 -0.000 -0.000 -0.001 -0.001 -0.001 -0.000 -0.000 0.000 -0.001 0.001 -0.001 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.001 0.001 0.000 -0.001 -0.000 -0.001 -0.002 0.012 0.002 0.001 0.002 -0.001 0.010 -0.017 0.008 0.014 0.008 0.007 0.088 0.148 0.011 -0.001 0.001 -0.000 0.204 -0.798 0.528 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.003 0.009 -0.006 -0.000 -0.000 0.000 0.000 0.001 0.000 0.000 0.000 -0.000 0.032 0.054 0.003 0.002 -0.001 0.001 0.000 -0.000 -0.000 0.001 0.001 0.000 -0.000 0.000 0.000 -0.005 -0.000 -0.001 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.001 -0.001 0.000 0.021 0.024 0.005 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.001 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.001 0.000 0.000 -0.000 0.000 0.001 0.004 0.003 0.001 0.000 -0.001 0.000 0.000 0.000 -0.001 0.000 0.001 0.000 -0.000 0.000 -0.000 -0.000 -0.001 -0.000 -0.000 -0.000 0.005 0.003 0.003 -0.000 0.000 0.000 0.006 -0.007 0.005 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.001 -0.000 0.000 -0.003 -0.038 -0.004 -0.019 -0.025 0.001 -0.078 0.124 -0.065 -0.075 -0.045 -0.036 -0.489 -0.827 -0.061 -0.001 0.000 -0.001 0.037 -0.143 0.095 0.001 0.000 0.001 0.001 -0.004 -0.008 0.001 -0.005 0.003 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.001 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.001 -0.002 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.001 -0.000 0.001 0.000 -0.000 0.000 -0.000 0.001 0.001 0.001 0.000 0.000 -0.000 0.036 0.037 0.040 -0.000 0.000 -0.000 -0.577 -0.560 -0.580 -0.004 0.003 -0.001 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.002 -0.002 0.001 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.002 -0.002 0.001 -0.001 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.001 0.000 -0.001 -0.001 0.000 0.001 0.000 0.000 0.000 -0.018 0.037 0.002 -0.002 -0.004 0.001 -0.024 0.037 -0.020 -0.001 -0.002 -0.000 -0.008 -0.012 -0.002 0.001 -0.001 0.001 -0.019 0.073 -0.047 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.005 0.006 0.001 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.002 0.001 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.001 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.001 -0.000 -0.007 0.020 -0.014 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.001 0.000 0.001 -0.000 0.000 0.000 0.001 0.001 0.002 0.000 -0.000 0.000 -0.030 -0.024 -0.029 0.000 0.001 -0.001 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.011 0.007 0.007 0.000 -0.000 0.000 -0.031 0.046 -0.027 0.000 0.000 0.000 -0.000 -0.000 0.001 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.035 -0.057 0.030 0.014 0.043 -0.014 0.472 -0.734 0.401 -0.167 -0.092 -0.088 -0.072 -0.118 -0.010 -0.003 0.007 -0.009 0.001 -0.003 0.002 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.029 0.041 -0.037 -0.000 0.000 0.000 -0.000 0.001 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.001 -0.001 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.001 0.000 0.003 -0.005 0.000 0.444 -0.657 0.594 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.001 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.001 0.001 0.001 0.001 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.003 -0.005 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.005 0.003 0.003 0.000 -0.000 -0.000 0.001 0.002 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.001 0.001 -0.028 -0.031 -0.003 0.005 -0.003 0.003 -0.078 -0.046 -0.041 -0.004 0.035 -0.014 -0.002 0.004 -0.003 -0.001 0.002 -0.002 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.001 -0.010 0.003 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.001 -0.000 -0.000 0.003 -0.013 -0.002 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.001 0.000 -0.045 0.060 -0.058 0.000 0.000 0.000 -0.000 0.000 -0.000 0.015 0.021 0.017 -0.000 -0.000 0.000 -0.000 0.000 -0.001 -0.000 0.001 -0.000 0.011 0.006 0.011 0.005 -0.006 0.003 -0.000 -0.000 0.000 0.000 -0.000 0.001 -0.000 0.000 -0.000 -0.000 0.000 0.001 -0.001 -0.001 -0.001 0.047 0.028 0.027 -0.000 0.000 -0.000 0.005 -0.009 0.005 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.001 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.054 0.166 -0.003 0.004 0.000 0.002 -0.087 0.141 -0.078 -0.747 -0.439 -0.396 0.063 0.098 0.007 0.005 -0.009 0.009 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.001 0.000 -0.003 0.002 0.001 0.000 -0.001 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.001 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.003 0.004 -0.003 -0.000 0.000 0.000 0.000 -0.000 0.000 0.070 0.093 0.068 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.025 -0.044 0.037 0.000 -0.000 -0.000 -0.006 0.005 -0.003 0.000 0.000 -0.000 0.000 -0.001 0.001 0.000 -0.000 0.000 -0.002 0.002 -0.001 -0.005 -0.006 -0.004 0.000 0.000 0.000 0.000 -0.000 0.000 0.001 -0.001 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.004 0.010 -0.001 -0.002 -0.002 0.000 -0.005 0.009 -0.005 -0.004 -0.002 -0.002 0.001 0.002 0.000 -0.377 0.672 -0.620 -0.000 0.001 -0.001 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.004 -0.000 0.001 0.003 -0.006 0.001 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.001 -0.000 -0.001 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.001 0.002 -0.002 0.000 0.001 0.000 -0.000 0.000 -0.000 -0.514 -0.673 -0.489 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.003 -0.006 0.005 0.002 0.000 0.001 0.068 -0.068 0.040 0.000 -0.000 0.000 0.000 -0.000 0.001 -0.004 0.004 -0.003 -0.006 0.005 -0.003 0.034 0.043 0.030 0.001 0.001 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.043 0.100 -0.004 -0.000 0.000 -0.000 0.002 -0.003 0.001 -0.010 -0.006 -0.007 -0.001 -0.003 -0.001 -0.051 0.092 -0.082 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.002 -0.004 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.024 0.057 -0.004 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.007 0.009 -0.009 0.000 0.001 -0.000 -0.000 0.000 -0.000 -0.054 -0.071 -0.051 -0.000 -0.000 -0.000 0.000 -0.001 0.003 0.001 -0.001 0.001 -0.024 -0.016 -0.024 0.000 -0.001 0.001 0.000 0.000 -0.000 0.000 -0.000 0.001 -0.000 0.000 -0.000 -0.002 0.001 -0.001 0.004 0.005 0.003 0.007 0.004 0.004 0.000 -0.000 0.000 0.003 -0.005 0.002 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.385 -0.893 0.037 0.003 0.001 0.001 -0.045 0.071 -0.040 -0.122 -0.072 -0.066 0.034 0.054 0.003 -0.009 0.016 -0.014 0.001 -0.001 0.001 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.001 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.050 -0.076 -0.050 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.003 0.002 0.003 -0.649 0.647 -0.379 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.041 -0.041 0.024 -0.000 0.000 -0.000 0.003 0.005 0.001 0.001 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.004 0.010 -0.001 -0.000 -0.000 -0.000 -0.001 0.001 -0.001 -0.007 -0.004 -0.005 0.000 0.001 -0.000 -0.002 0.003 -0.003 -0.000 0.001 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.001 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.014 0.035 -0.049 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.003 -0.003 0.004 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.001 0.001 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.212 -0.552 0.804 -0.000 0.000 -0.000 0.001 -0.001 0.001 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.002 -0.003 -0.000 0.001 -0.001 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.001 -0.001 0.001 -0.001 0.002 -0.001 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.001 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 -0.005 -0.006 -0.004 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.001 0.001 0.001 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.001 -0.001 -0.000 0.000 -0.000 0.667 -0.514 0.536 0.000 0.000 0.000 0.000 0.000 0.000 -0.042 0.032 -0.034 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.001 -0.001 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.002 0.003 -0.002 0.001 -0.003 0.002</array>
                  </module>
               </property>
               <property dictRef="cc:intensities">
                  <module cmlx:templateRef="intensities">
                     <array dataType="xsd:double"
                            dictRef="cc:frequency"
                            size="147"
                            units="nonsi:cm-1">-177.891397 -146.219787 -130.865320 -103.360763 -91.057754 -82.346188 -77.308631 -51.733713 -48.507586 -23.087350 30.273646 54.852899 66.017702 68.719702 72.360380 83.114825 89.292739 97.395930 100.004280 106.931834 111.442142 116.804634 123.410769 127.479499 141.121203 145.416367 152.516998 160.266615 164.157250 170.697136 176.168637 181.212081 186.370923 190.402832 195.742513 199.628690 201.788802 206.893872 211.809752 215.668921 221.550569 225.250799 229.471435 233.190797 233.831107 237.015298 243.613696 247.678591 249.355374 253.248324 259.282992 264.979055 268.198657 273.381594 276.547380 279.546169 283.001297 287.673004 291.431221 297.802807 303.699158 306.391370 310.360362 316.681206 319.853220 324.375977 327.788801 330.137579 332.854689 339.034318 341.900464 350.225798 360.764940 369.883776 370.466312 381.806489 387.465990 394.647802 413.470867 425.194312 446.327844 469.594966 481.395977 488.001279 489.282514 500.423495 512.177491 517.782888 522.690012 536.965165 559.157933 565.897762 580.639181 592.946564 600.400211 613.670710 635.403349 644.298432 651.453964 679.375455 714.798981 719.266639 731.475083 748.649947 753.830410 761.099320 761.349659 776.386029 778.922293 784.632133 807.025181 818.651148 825.169747 835.619473 843.322291 849.009395 856.534541 860.863548 885.766087 887.772751 896.160472 902.149483 908.944026 921.056707 942.047165 956.646232 970.609772 985.605189 1029.702347 1055.630938 1059.542641 1078.766636 1597.401591 1676.283572 2521.842076 2907.376478 2923.964306 3010.878777 3076.785096 3209.619796 3249.668526 3338.269657 3380.843334 3396.856361 3473.325037 3579.767882 3636.751001</array>
                     <array dataType="xsd:double"
                            dictRef="cc:dipole"
                            size="147"
                            units="nonsi2:1e-40.esu2.cm2">135.371399 78.136583 351.735460 765.836319 7274.522586 1908.796268 1176.641831 1875.186479 600.179349 531.929085 697.519069 1770.808047 281.064890 570.342426 1403.799399 811.054135 210.498327 841.596998 893.434782 1720.965274 136.456125 1182.930058 551.152087 858.979370 803.518899 784.833570 1728.659812 763.152946 2574.762906 1921.930703 403.451730 1956.762225 4498.973075 2786.522897 7011.663893 174.882955 1076.568377 309.448250 1670.211008 247.176649 1026.512801 3130.719484 1278.020233 1320.995658 881.946934 542.735660 1395.173336 885.400785 171.749906 1276.470997 1578.242184 318.327891 580.953004 1567.484672 472.062582 173.346459 916.268230 458.939131 127.906148 1388.990046 420.799288 1009.460576 581.168577 1124.555883 771.126559 1055.937472 1437.985776 581.954906 738.299671 416.236711 1128.207972 750.726731 1191.412116 2646.890754 898.628844 108.254162 2274.885473 1225.061687 712.686563 3792.220801 3772.453814 5632.564887 6530.067223 2288.096921 4331.615963 10951.363905 3695.268146 785.981497 15263.396902 2600.751809 8.601455 415.910565 2850.339785 2244.416378 554.964829 3170.904158 4115.118118 4508.155374 1527.749295 521.630525 350.231937 12246.800706 977.625013 596.574249 806.875161 2389.226225 2863.381961 2914.788111 3113.302347 1775.796447 2484.032892 1785.755589 228.668847 1056.033404 1905.303327 964.610348 1683.152710 2114.359521 453.936704 1396.595048 660.031733 230.523260 1583.474488 518.602914 244.923468 449.518194 3278.853756 257.399943 611.943872 852.210145 579.222134 646.036370 428.190107 35.678470 5288.248467 2967.314748 3217.820455 1946.614774 1773.940785 1808.625349 1108.211011 590.053735 735.734994 508.298203 567.478459 181.334732 57.531910</array>
                     <array dataType="xsd:double"
                            dictRef="cc:absortion"
                            size="147"
                            units="nonsi2:km.mole-1">-6.036149 -2.863773 -11.537688 -19.841282 -166.034945 -39.398633 -22.800813 -24.316227 -7.297411 -3.078264 5.292963 24.347207 4.650986 9.824151 25.461499 16.896876 4.711323 20.545800 22.395436 46.127211 3.811716 34.633566 17.049144 27.447396 28.422772 28.606777 66.085451 30.657216 105.943760 82.232223 17.815510 88.879842 210.169466 132.988501 344.020498 8.750815 54.452365 16.047734 88.673809 13.362049 57.005310 176.761861 73.509663 77.213078 51.691937 32.243547 85.193790 54.967558 10.734784 81.028090 102.571273 21.142888 39.054913 107.411466 32.722554 12.146372 64.996373 33.092705 9.343413 103.682627 32.032929 77.525390 45.211243 89.265040 61.823624 85.854874 118.148108 48.157326 61.597832 35.372203 96.686742 65.903440 107.736883 245.402719 83.446312 10.360148 220.938396 121.184121 73.862084 404.165401 422.042302 662.991112 787.949128 279.881020 531.236261 1373.674930 474.399822 102.008905 1999.739703 350.044366 1.205548 58.995108 414.840399 333.577736 83.518823 487.749217 655.405188 728.054717 249.467453 88.828212 62.750579 2207.957136 179.246181 111.949297 152.460756 455.802473 546.438779 567.234675 607.845915 349.250746 502.484301 366.436700 47.296431 221.189383 402.750210 205.278035 361.365321 456.237758 100.784192 310.778080 148.261596 52.128032 360.766564 119.729010 57.833719 107.789563 797.709523 63.590099 157.943357 225.494981 153.830219 174.687788 171.446574 14.991040 3342.780106 2162.434481 2358.370018 1469.099990 1368.089004 1455.057895 902.692004 493.731742 623.482875 432.786622 494.052246 162.709883 52.444558</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="scanfreq">
                     <list cmlx:templateRef="scanfreq">
                        <array dataType="xsd:double"
                               dictRef="a:oldfreq"
                               size="10"
                               units="nonsi:cm-1">-177.891 -146.220 -130.865 -103.361 -91.058 -82.346 -77.309 -51.734 -48.508 -23.087</array>
                        <array dataType="xsd:double"
                               dictRef="a:newfreq"
                               size="10"
                               units="nonsi:cm-1">114.815 86.211 91.032 99.170 107.499 103.856 111.152 66.986 118.747 93.484</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivX"
                               size="10"
                               units="nonsi:hartree">0.007 -0.017 -0.026 -0.034 -0.005 -0.022 -0.076 0.048 -0.046 0.008</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivY"
                               size="10"
                               units="nonsi:hartree">-0.016 -0.018 -0.031 -0.105 0.343 0.176 0.124 0.049 0.034 0.045</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivZ"
                               size="10"
                               units="nonsi:hartree">-0.078 0.051 0.071 0.082 -0.190 0.048 0.037 0.164 -0.018 -0.030</array>
                        <array dataType="xsd:double"
                               dictRef="cc:irintensity"
                               size="10"
                               units="nonsi2:km.mol-1">6.155 3.145 6.464 18.455 149.512 32.735 22.112 30.764 3.516 2.936</array>
                        <array dataType="xsd:double"
                               dictRef="cc:forceconst"
                               size="10"
                               units="nonsi:hartree">0.01220595 0.00791344 0.00791814 0.01074031 0.01558167 0.01648571 0.00979927 0.00487352 0.01762371 0.01457975</array>
                        <array dataType="xsd:double"
                               dictRef="cc:redmass"
                               size="10"
                               units="nonsi:hartree">24.467093 28.135077 25.248900 28.857523 35.629484 40.387721 20.958611 28.699701 33.025855 44.084266</array>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:thermochemistry">
                  <module cmlx:templateRef="thermochemistry">
                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                     <array dataType="xsd:double" dictRef="cc:moi" size="3">25084.0050 42307.4252 58407.0031</array>
                     <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">NOSYM</scalar>
                     <module cmlx:templateRef="energies">
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                        <list cmlx:templateRef="entropy">
                           <scalar dataType="xsd:double"
                                   dictRef="cc:transl"
                                   units="nonsi2:cal.mol-1.K-1">47.111</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:rotat"
                                   units="nonsi2:cal.mol-1.K-1">39.358</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:vibrat"
                                   units="nonsi2:cal.mol-1.K-1">199.232</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">285.701</scalar>
                        </list>
                        <list cmlx:templateRef="internalEnergy">
                           <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi2:kcal.mol-1">0.889</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi2:kcal.mol-1">0.889</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi2:kcal.mol-1">175.954</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">177.731</scalar>
                        </list>
                        <list cmlx:templateRef="heat">
                           <scalar dataType="xsd:double"
                                   dictRef="cc:transl"
                                   units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:rotat"
                                   units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:vibrat"
                                   units="nonsi2:cal.mol-1.K-1">183.848</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">189.810</scalar>
                        </list>
                     </module>
                  </module>
               </property>
            </propertyList>
            <molecule id="finalization.0">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="2.490384"
                        y3="-2.779743"
                        z3="-4.453189"/>
                  <atom elementType="O"
                        id="a2"
                        x3="-0.109244"
                        y3="-2.901258"
                        z3="-3.981995"/>
                  <atom elementType="O"
                        id="a3"
                        x3="-0.303151"
                        y3="-4.94635"
                        z3="-5.930635"/>
                  <atom elementType="O"
                        id="a4"
                        x3="0.368152"
                        y3="-2.263913"
                        z3="-6.651897"/>
                  <atom elementType="O"
                        id="a5"
                        x3="1.882039"
                        y3="-5.06698"
                        z3="-4.200248"/>
                  <atom elementType="O"
                        id="a6"
                        x3="2.889142"
                        y3="-7.650149"
                        z3="-5.294344"/>
                  <atom elementType="O"
                        id="a7"
                        x3="0.72915"
                        y3="-6.218419"
                        z3="-1.724684"/>
                  <atom elementType="O"
                        id="a8"
                        x3="0.225699"
                        y3="-7.145239"
                        z3="-4.524207"/>
                  <atom elementType="O"
                        id="a9"
                        x3="1.973988"
                        y3="-8.584241"
                        z3="-2.776396"/>
                  <atom elementType="O"
                        id="a10"
                        x3="3.430636"
                        y3="-6.165989"
                        z3="-2.804013"/>
                  <atom elementType="O"
                        id="a11"
                        x3="4.7633"
                        y3="-4.502085"
                        z3="-4.603407"/>
                  <atom elementType="O"
                        id="a12"
                        x3="2.349125"
                        y3="-4.099626"
                        z3="-1.41419"/>
                  <atom elementType="O"
                        id="a13"
                        x3="3.606496"
                        y3="-10.55558"
                        z3="-2.283353"/>
                  <atom elementType="O"
                        id="a14"
                        x3="1.154658"
                        y3="-10.498472"
                        z3="-0.670651"/>
                  <atom elementType="O"
                        id="a15"
                        x3="2.01153"
                        y3="0.052348"
                        z3="-4.65796"/>
                  <atom elementType="O"
                        id="a16"
                        x3="5.049384"
                        y3="-4.572693"
                        z3="-1.966621"/>
                  <atom elementType="O"
                        id="a17"
                        x3="7.25737"
                        y3="-3.260875"
                        z3="-0.553971"/>
                  <atom elementType="Mo"
                        id="a18"
                        x3="3.482724"
                        y3="-4.22917"
                        z3="-3.378273"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.633955"
                        y3="-6.438264"
                        z3="-0.499068"/>
                  <atom elementType="Mo"
                        id="a20"
                        x3="2.658926"
                        y3="-9.556952"
                        z3="-0.762983"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.138621"
                        y3="-7.930823"
                        z3="-0.061479"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.201495"
                        y3="-6.860751"
                        z3="-1.122775"/>
                  <atom elementType="O"
                        id="a23"
                        x3="4.054255"
                        y3="-2.438587"
                        z3="-2.67289"/>
                  <atom elementType="O"
                        id="a24"
                        x3="3.674334"
                        y3="-10.273635"
                        z3="0.506362"/>
                  <atom elementType="H"
                        id="a25"
                        x3="6.113106"
                        y3="-3.39322"
                        z3="-3.802884"/>
                  <atom elementType="O"
                        id="a26"
                        x3="6.240326"
                        y3="-0.798084"
                        z3="-1.325238"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.414958"
                        y3="-1.498406"
                        z3="-2.286791"/>
                  <atom elementType="O"
                        id="a28"
                        x3="6.183261"
                        y3="-6.7450"
                        z3="-3.342022"/>
                  <atom elementType="H"
                        id="a29"
                        x3="0.832554"
                        y3="-2.061104"
                        z3="-2.888378"/>
                  <atom elementType="H"
                        id="a30"
                        x3="5.249124"
                        y3="-1.331426"
                        z3="-4.160355"/>
                  <atom elementType="O"
                        id="a31"
                        x3="4.611793"
                        y3="-8.155984"
                        z3="-1.320249"/>
                  <atom elementType="H"
                        id="a32"
                        x3="3.378067"
                        y3="-9.995808"
                        z3="-3.056523"/>
                  <atom elementType="O"
                        id="a33"
                        x3="4.607786"
                        y3="-0.688973"
                        z3="-4.54611"/>
                  <atom elementType="H"
                        id="a34"
                        x3="2.982094"
                        y3="-4.627564"
                        z3="-6.26502"/>
                  <atom elementType="O"
                        id="a35"
                        x3="6.644556"
                        y3="-2.715482"
                        z3="-3.314536"/>
                  <atom elementType="O"
                        id="a36"
                        x3="4.513981"
                        y3="-2.686173"
                        z3="-0.055339"/>
                  <atom elementType="O"
                        id="a37"
                        x3="2.332011"
                        y3="-4.125419"
                        z3="-6.795664"/>
                  <atom elementType="O"
                        id="a38"
                        x3="3.779521"
                        y3="-5.949643"
                        z3="0.012211"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.321436"
                        y3="0.457413"
                        z3="-2.188196"/>
                  <atom elementType="Mo"
                        id="a40"
                        x3="5.273589"
                        y3="-6.510125"
                        z3="-1.611736"/>
                  <atom elementType="Mo"
                        id="a41"
                        x3="5.920052"
                        y3="-2.525634"
                        z3="-1.439531"/>
                  <atom elementType="Mo"
                        id="a42"
                        x3="2.935869"
                        y3="-0.767296"
                        z3="-3.394762"/>
                  <atom elementType="Mo"
                        id="a43"
                        x3="0.843629"
                        y3="-3.438489"
                        z3="-5.424569"/>
                  <atom elementType="Mo"
                        id="a44"
                        x3="1.925562"
                        y3="-7.143517"
                        z3="-3.897221"/>
                  <atom elementType="H"
                        id="a45"
                        x3="1.971324"
                        y3="-3.186456"
                        z3="-1.476177"/>
                  <atom elementType="H"
                        id="a46"
                        x3="3.124983"
                        y3="-6.753876"
                        z3="-0.004578"/>
                  <atom elementType="H"
                        id="a47"
                        x3="3.265123"
                        y3="-5.199653"
                        z3="-0.41984"/>
                  <atom elementType="H"
                        id="a48"
                        x3="3.744145"
                        y3="-3.15155"
                        z3="-0.486969"/>
                  <atom elementType="H"
                        id="a49"
                        x3="1.272865"
                        y3="-5.367528"
                        z3="-1.629576"/>
                  <atom elementType="H"
                        id="a50"
                        x3="5.786398"
                        y3="-6.057881"
                        z3="-3.9403"/>
                  <atom elementType="H"
                        id="a51"
                        x3="-0.089361"
                        y3="-5.770285"
                        z3="-5.380188"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a43" order="S"/>
                  <bond atomRefs2="a1 a18" order="S"/>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a3 a43" order="S"/>
                  <bond atomRefs2="a3 a51" order="S"/>
                  <bond atomRefs2="a4 a43" order="S"/>
                  <bond atomRefs2="a5 a44" order="S"/>
                  <bond atomRefs2="a5 a43" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a6 a44" order="S"/>
                  <bond atomRefs2="a7 a49" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a9 a44" order="S"/>
                  <bond atomRefs2="a10 a40" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a40" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a40" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a35 a41" order="S"/>
                  <bond atomRefs2="a36 a41" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
               </bondArray>
               <formula concise="H13Mo7O31"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1167.5614000000005</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/7Mo.11H2O.20O/h;;;;;;;11*1H2;;;;;;;;;;;;;;;;;;;;/q;3*+1;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-9/rH10Mo6O26.HMoO4.H2O/c7-1(8,9,10)29-4(18,19,20,21)32-5(22,23,24,25)31-2(11,12,13)30-3(14,15,16,17)28-6(29,30,31,32,26)27;2-1(3,4)5;/h7-8,14-15,18-19,22,26H,23H2;2H;1H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:44;18;20;40;41;42;43;7;38;3;12;13;35;27;28;33;37;36;1;2;4;5;6;8;9;10;11;14;15;16;17;19;21;23;24;26;31;39/rA:51nOO1OO1O3O1OO1O1O3O1OOO1O1O3O1MoO1MoO1HO3O1HO1OOHHO1HOHOOOO3O1MoMoMoMoMoHHHHHHH/rB:;;;;;;;;;;;;;;;;s1s5s10s11s12s16;;s13s14;s20;s7;s18;s20;;;;;s27;;;s13;s30;;s25;;s34;;;s10s16s19s28s31s38;s16s17s23s26s35s36;s15s23s27s33s39;s1s2s3s4s5s37;s5s6s8s9s10;s12;s38;s38;s36;s7;s28;s3;/rC:2.4904,-2.7797,-4.4532;-.1092,-2.9013,-3.982;-.3032,-4.9463,-5.9306;.3682,-2.2639,-6.6519;1.882,-5.067,-4.2002;2.8891,-7.6501,-5.2943;.7291,-6.2184,-1.7247;.2257,-7.1452,-4.5242;1.974,-8.5842,-2.7764;3.4306,-6.166,-2.804;4.7633,-4.5021,-4.6034;2.3491,-4.0996,-1.4142;3.6065,-10.5556,-2.2834;1.1547,-10.4985,-.6707;2.0115,.0523,-4.658;5.0494,-4.5727,-1.9666;7.2574,-3.2609,-.554;3.4827,-4.2292,-3.3783;6.634,-6.4383,-.4991;2.6589,-9.557,-.763;2.1386,-7.9308,-.0615;1.2015,-6.8608,-1.1228;4.0543,-2.4386,-2.6729;3.6743,-10.2736,.5064;6.1131,-3.3932,-3.8029;6.2403,-.7981,-1.3252;1.415,-1.4984,-2.2868;6.1833,-6.745,-3.342;.8326,-2.0611,-2.8884;5.2491,-1.3314,-4.1604;4.6118,-8.156,-1.3202;3.3781,-9.9958,-3.0565;4.6078,-.689,-4.5461;2.9821,-4.6276,-6.265;6.6446,-2.7155,-3.3145;4.514,-2.6862,-.0553;2.332,-4.1254,-6.7957;3.7795,-5.9496,.0122;3.3214,.4574,-2.1882;5.2736,-6.5101,-1.6117;5.9201,-2.5256,-1.4395;2.9359,-.7673,-3.3948;.8436,-3.4385,-5.4246;1.9256,-7.1435,-3.8972;1.9713,-3.1865,-1.4762;3.125,-6.7539,-.0046;3.2651,-5.1997,-.4198;3.7441,-3.1515,-.487;1.2729,-5.3675,-1.6296;5.7864,-6.0579,-3.9403;-.0894,-5.7703,-5.3802;/R:/0/N:42,44,43,41,40,18,27,33,15,39,6,8,9,3,37,2,4,35,36,17,26,28,38,19,31,12,11,1,23,5,10,16;20,13,14,21,24;7/E:(7,8)(9,10)(11,12,13)(14,15)(16,17)(18,19)(20,21)(24,25);(3,4,5);/CRV:6.7,9.1,10.1,11.1,12.1,13.1,16.1,17.1,20.1,21.1,23.3,24.1,25.1,27.1,29.3,30.3,31.3,32.3;3.1,4.1,5.1;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="20">2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="20"
                            units="nonsi:electronvolt">-5.887 -5.849 -5.801 -5.744 -5.713 -5.693 -5.627 -5.532 -5.406 -5.282 -2.930 -2.761 -2.712 -2.614 -2.497 -2.484 -2.401 -2.375 -2.312 -2.247</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="20">A A A A A A A A A A A A A A A A A A A A</array>
                  </list>
               </module>
               <module cmlx:templateRef="fit.test" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000034376</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00023798456428</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00016533027098</scalar>
               </module>
               <module cmlx:templateRef="qtaim" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="atoms">
                     <array dataType="xsd:integer" dictRef="a:id" size="51">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51</array>
                     <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="51">8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 42 42 42 42 42 42 42 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="153">2.490384 -2.779743 -4.453188 -0.109243 -2.901258 -3.981995 -0.303151 -4.946350 -5.930635 0.368152 -2.263912 -6.651897 1.882039 -5.066980 -4.200248 2.889142 -7.650149 -5.294344 0.729150 -6.218419 -1.724684 0.225699 -7.145238 -4.524207 1.973988 -8.584240 -2.776396 3.430636 -6.165989 -2.804013 4.763300 -4.502084 -4.603407 2.349125 -4.099626 -1.414190 3.606496 -10.555579 -2.283353 1.154658 -10.498472 -0.670651 2.011530 0.052348 -4.657960 5.049384 -4.572693 -1.966621 7.257370 -3.260875 -0.553971 6.633955 -6.438263 -0.499068 2.138621 -7.930823 -0.061479 4.054254 -2.438587 -2.672890 3.674333 -10.273634 0.506362 6.240325 -0.798084 -1.325238 1.414958 -1.498406 -2.286791 6.183261 -6.745000 -3.342022 4.611793 -8.155983 -1.320249 4.607786 -0.688973 -4.546110 6.644555 -2.715482 -3.314536 4.513980 -2.686173 -0.055339 2.332011 -4.125419 -6.795664 3.779521 -5.949643 0.012211 3.321436 0.457413 -2.188195 3.482724 -4.229170 -3.378273 2.658926 -9.556952 -0.762983 5.273588 -6.510125 -1.611736 5.920052 -2.525634 -1.439531 2.935869 -0.767296 -3.394762 0.843629 -3.438489 -5.424569 1.925562 -7.143517 -3.897221 1.201495 -6.860751 -1.122775 6.113106 -3.393220 -3.802884 0.832554 -2.061104 -2.888378 5.249124 -1.331426 -4.160355 3.378067 -9.995808 -3.056523 2.982094 -4.627564 -6.265019 1.971324 -3.186456 -1.476177 3.124983 -6.753875 -0.004578 3.265123 -5.199653 -0.419840 3.744145 -3.151549 -0.486969 1.272865 -5.367528 -1.629576 5.786397 -6.057880 -3.940300 -0.089361 -5.770284 -5.380188</array>
                  </list>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.490384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.779743</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.453188</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190790E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.109243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.901258</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.981995</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192668E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.303151</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.946350</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.930635</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187831E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">4</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.368152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.263912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-6.651897</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193607E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">5</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.882039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.066980</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.200248</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190486E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">6</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.889142</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.650149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.294344</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193270E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">7</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.729150</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.218419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.724684</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3185654E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">8</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.225699</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.145238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.524207</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192245E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">9</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.973988</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-8.584240</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.776396</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191568E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">10</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.430636</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.165989</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.804013</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190345E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">11</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.763300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.502084</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.603407</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193637E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">12</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.349125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.099626</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.414190</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187312E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">13</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.606496</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-10.555579</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.283353</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187937E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">14</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.154658</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-10.498472</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.670651</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193003E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">15</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.011530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.052348</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.657960</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193805E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">16</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.049384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.572693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.966621</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190520E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">17</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">7.257370</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.260875</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.553971</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193761E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">18</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.633955</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.438263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.499068</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194048E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">19</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.138621</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.930823</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.061479</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191338E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">20</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.054254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.438587</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.672890</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190329E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">21</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.674333</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-10.273634</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.506362</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193081E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">22</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.240325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.798084</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.325238</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193885E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.414958</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.498406</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.286791</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187978E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">24</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.183261</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.745000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.342022</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187796E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">25</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.611793</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-8.155983</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.320249</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193163E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">26</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.607786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.688973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.546110</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187830E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">27</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.644555</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.715482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.314536</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187744E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">28</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.513980</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.686173</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.055339</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187878E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">29</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.332011</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.125419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-6.795664</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187620E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">30</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.779521</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.949643</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.012211</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3185773E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">31</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.321436</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.457413</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.188195</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193760E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">32</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.482724</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.229170</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.378273</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242811E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">33</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.658926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-9.556952</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.762983</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242824E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">34</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.273588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.510125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.611736</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242816E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">35</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.920052</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.525634</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.439531</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242820E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">36</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.935869</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.767296</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.394762</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242820E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">37</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.843629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.438489</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.424569</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242820E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">38</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.925562</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.143517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.897221</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242822E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">39</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.201495</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.860751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.122775</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4455077E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">40</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.113106</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.393220</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.802884</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4560227E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">41</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.832554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.061104</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.888378</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4352595E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">42</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.249124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.331426</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.160355</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4620801E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">43</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.378067</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-9.995808</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.056523</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4695013E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">44</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.982094</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.627564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-6.265019</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4793735E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">45</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.971324</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.186456</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.476177</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4550099E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">46</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.124983</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.753875</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.004578</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4070394E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">47</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.265123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.199653</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.419840</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4312486E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">48</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.744145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.151549</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.486969</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4439872E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">49</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.272865</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.367528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.629576</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4267199E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">50</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.786397</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.057880</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.940300</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4504735E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">51</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.089361</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.770284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.380188</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4264459E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">52</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.729848</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.642394</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.842565</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1304392E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1974695E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1309852E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1200076E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8622795E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5690281E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1422570E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3081239E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8753058E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1693305E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1155911E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8892514E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2666594E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2267754E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5079721E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2995095E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9807746E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7327701E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4464329E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3053806E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">53</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.017902</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.132486</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.230178</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1875638E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4180551E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3922473E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4509110E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1445399E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7394034E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1848508E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1922807E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5727696E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1461078E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2996955E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4145401E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1148446E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7929582E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1089012E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8368379E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1722458E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2339126E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7281446E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4858395E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">54</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.329293</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.670037</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.782908</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2659749E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7311093E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3122502E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4076600E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5204170E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9895060E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2473765E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2191211E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1650425E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2242073E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2329637E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2185509E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1441278E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5863711E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1169477E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7038854E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3074939E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2729474E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5013961E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2289103E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">55</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.096425</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.715322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.256510</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3206719E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1523202E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6798625E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1242746E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1357383E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1635347E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4088367E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5716624E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6330500E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1802640E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1587990E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7264347E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5676357E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1621062E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2019442E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1630339E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5697137E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1353852E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8027276E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2861682E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">56</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.269738</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.014189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.879563</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4905973E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2221220E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2211741E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1547532E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1344331E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2145260E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5363150E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4056986E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4549969E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1557142E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3982136E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2601122E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1381014E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6156756E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1428687E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9846400E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5361422E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2951614E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4309381E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1836528E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">57</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.339461</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.414600</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.637667</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1433345E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1186836E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1169160E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1741500E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1063873E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6318211E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1579553E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3524272E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9224370E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1574800E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1295875E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1012197E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2836779E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2571496E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5683328E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3322535E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9393404E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7271446E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4524631E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3537093E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">58</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.790547</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.600367</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.786030</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2653348E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3536532E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3205395E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4547932E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1423259E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8460305E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2115076E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2581465E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1922580E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1705796E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2087784E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2060493E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2729169E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5844905E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1166228E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6731165E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3908114E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3453512E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5011801E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1722356E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">59</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.511289</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.379498</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.249769</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4540671E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7070283E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2118165E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4539977E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4989077E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1866883E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4667209E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1749358E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4595816E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9739979E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3468966E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2270724E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1198242E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5553223E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1271999E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6920857E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1966158E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1196983E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4365746E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3519990E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">60</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.820514</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.256411</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.600208</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8985687E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1062470E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7596191E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3066259E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6766099E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3829847E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9574618E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9557643E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6987961E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1078559E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7498196E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5421775E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2076422E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1379707E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3222696E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1712968E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4385207E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3111657E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4281218E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3906241E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">61</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.857796</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.288177</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.590038</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8984526E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6285877E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1466505E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5146061E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3606770E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3845778E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9614445E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8777029E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6957516E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9180280E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7524508E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5434570E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2089938E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1379469E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3222175E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1685237E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3782158E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2744834E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4281173E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4455754E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">62</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.200442</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.556360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.132067</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1053419E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1405289E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1315612E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2541099E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4933120E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4528759E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1132190E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1775057E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7702574E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1546862E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9001394E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6680891E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2320503E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1705506E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3923321E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2239627E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7455940E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5285295E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4347098E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3003816E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">63</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.616381</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.953120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.555212</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5015504E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7227829E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7131859E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7178912E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4428299E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1241988E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3104970E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1035153E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3784601E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4003750E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4028493E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4952015E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9235220E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1366065E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2423446E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1196043E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6788141E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7252424E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5636868E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1761960E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">64</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.884694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.890408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.555048</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3665081E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1983276E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4241399E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2870967E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1916002E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1525781E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3814454E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2524139E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1826390E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1963863E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3704082E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3593711E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1103714E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8991452E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1691497E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9964175E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1591171E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1526875E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5315677E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6262165E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">65</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.706888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.624152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.325527</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9277413E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2002685E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1249001E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3469447E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1526557E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3666572E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9166429E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4157958E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3573259E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6455182E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1156996E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1397348E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2403527E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3101851E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4889454E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3510204E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1036754E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1268120E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6343962E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3385765E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">66</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.555405</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.562184</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.305694</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4544662E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3024264E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3017311E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1917762E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7228367E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1836053E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4590132E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1757270E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4679837E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1019455E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3418105E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2246079E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1172026E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5559732E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1273707E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6844709E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1999124E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1209334E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4365001E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3423854E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">67</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.544525</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.868123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.575242</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4154366E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8525001E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5160802E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3642919E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5724587E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1729824E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4324560E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3612752E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1985116E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2410278E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4313832E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4303105E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1072770E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1062653E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1953068E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1182621E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2004961E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1968550E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5440942E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5898477E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">68</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.644867</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.708084</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.020929</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4588150E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1324886E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9865692E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8767263E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1155699E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1701793E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4254482E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2734300E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5129824E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1702679E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3200067E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2145652E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1054415E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5630779E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1292325E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7488451E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3869006E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2108348E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4357093E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1935498E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">69</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.292155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.354536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.486669</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1022369E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5861909E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5029078E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2997382E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2933516E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4612827E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1153207E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1430556E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7194358E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1247632E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9070809E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6609550E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2461259E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1638810E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3782020E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2154982E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5644781E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4097209E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4333160E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3817654E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">70</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.959990</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.819727</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.737343</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4004132E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4675490E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4228150E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3740445E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2773175E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1168731E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2921827E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6759651E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2763202E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2330448E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3293484E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3665142E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3716574E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1011726E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1872283E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1047989E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5949696E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5943051E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5403703E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1761415E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">71</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.141137</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.113528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.747018</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2111225E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2247612E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4724693E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1543488E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1564027E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8576931E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2144233E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2546601E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6014122E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1490912E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3578768E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5013303E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1434535E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9284628E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1246578E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9990279E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1905922E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2600490E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7448089E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5241705E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">72</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.430260</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-10.124063</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.879319</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3358218E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3012157E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2923895E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1292154E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2705169E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1670918E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4177296E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6171291E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6691232E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8535756E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1873679E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7924654E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6050975E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1723972E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2131554E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1696286E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5820251E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1409559E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8087864E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2914454E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">73</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.562253</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.487169</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.567164</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1276219E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3660162E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9623988E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2522379E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2471473E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5541459E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1385365E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2871081E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8666910E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1662159E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1123690E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8620160E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2616744E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2202683E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4948676E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2889665E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9354566E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6960011E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4451054E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3089042E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">74</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.751375</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.159432</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.545959</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4417019E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4463783E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3766024E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2393876E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1084981E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1790323E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4475807E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2292383E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4576821E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7004219E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3325288E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2174768E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1150520E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5352509E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1219117E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7332339E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3208427E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1778053E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4390482E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2285338E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">75</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.322484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.749513</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.251185</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6904440E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1018981E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7924840E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5830975E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2651213E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2852801E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7132002E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5887878E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6047221E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1345592E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5473481E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3814960E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1658521E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9710085E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2297673E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1247109E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4257443E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2728191E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4226052E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2929245E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">76</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.313443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.330048</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.231328</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6843373E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3568738E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318390E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3235259E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7285839E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2891930E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7229825E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2233458E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2728197E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2446320E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8107281E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8984738E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8774563E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2067341E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3456668E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2574874E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8531813E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9739733E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5980732E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3017968E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">77</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.734892</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.824492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.836146</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1737392E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2222402E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4640468E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1705470E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1347258E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5767327E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1441832E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9955687E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1392521E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7101842E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1295851E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1149871E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1459805E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3323396E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7130043E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4208072E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2673709E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2079044E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4661117E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1573871E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">78</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.281699</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.986145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.483441</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1243826E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2865120E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2627242E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1031093E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4933120E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4671446E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1167861E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1696543E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9849814E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1378849E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9702946E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7727278E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1975668E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2128456E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4798383E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2243778E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4736899E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3683089E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4435777E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4736808E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">79</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.746814</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.307167</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.826481</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4909886E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1284936E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9832418E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2004520E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8025680E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1801272E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4503181E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5510383E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5426080E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5008443E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3409364E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2315548E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1093817E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6163305E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1430369E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1026702E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8069162E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4261253E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4308891E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1272378E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">80</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.613702</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.763987</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.057733</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2721405E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2719635E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2544999E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5644282E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7751202E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8830006E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2207502E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2821480E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1921502E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5665547E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2178621E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2149740E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2888084E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6045645E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1200821E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7095582E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4136431E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3682718E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5034591E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1715387E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">81</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.433027</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.874201</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.253359</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1249830E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8485051E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8263980E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1748405E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8036245E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5158137E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1289534E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2012216E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8992320E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1382056E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1052955E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8163750E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2365797E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2142165E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4826208E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2515417E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5848343E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4492691E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4438609E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4301077E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">82</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.468487</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.589629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.714376</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5817817E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5433313E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1734723E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4857226E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2428613E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2411788E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6029471E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1529956E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2495787E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2676656E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6527693E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7025914E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4982218E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1664940E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2871684E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2072599E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7352476E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8069307E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5797782E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2818913E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">83</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.124612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.345962</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.437996</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1188466E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1593046E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1364552E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8036880E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1728508E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4838870E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1209718E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1575791E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8814152E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1261098E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9841890E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7586604E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2255286E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2003092E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4542472E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2273633E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4516229E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3514726E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4409695E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5034362E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">84</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.194007</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.519005</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.248226</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1165909E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1919461E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1755365E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7740837E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6180682E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4852869E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1213217E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1100935E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8512473E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5742090E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9809361E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7486550E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2322811E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1952561E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4438544E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2136642E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2179874E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1944368E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4399103E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9801680E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">85</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.540224</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.765797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.848680</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4985685E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7154008E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3399990E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5860621E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2296306E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1945803E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4864508E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3727403E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5152947E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1793586E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3660781E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2457054E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1203727E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6290496E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1462968E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8930034E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4807845E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2662174E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4299817E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1857388E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">86</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.866690</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.832972</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.597821</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5312021E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7080831E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2594038E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6531471E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8654559E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1964910E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4912274E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6836341E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5671572E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4747451E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3739188E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2566102E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1173086E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6845388E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1603649E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1148264E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9040457E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4885214E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4268631E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1270139E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">87</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.659902</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-8.821571</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.057471</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3649620E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1207971E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8673617E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7806256E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3122502E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1524014E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3810036E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5391060E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1815670E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5234867E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3692985E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3575934E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1170509E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8940914E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1683306E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1183229E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4966941E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4817443E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5311521E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2382208E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">88</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.021035</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.215661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.102185</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5141042E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2491382E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2308080E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6689549E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6574585E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1315551E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3288876E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1114373E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3723267E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1234020E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4233478E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5178080E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9446020E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1411844E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2492984E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1265650E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7046492E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7580987E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5663268E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1796143E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">89</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.271391</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.486680</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.803987</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2878639E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6554753E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1531372E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2667422E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5985499E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8438349E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2109587E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2877986E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2208010E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3210980E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2182723E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2255859E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7313587E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6515804E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1281179E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6834358E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3902540E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3533579E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5085786E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1751259E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">90</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.380375</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.291441</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.799697</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5844711E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2152456E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9714451E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1804112E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6591949E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2433007E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6082518E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1550518E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2493110E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4679377E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6582410E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7082302E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4998918E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1675209E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2886859E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2092367E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7400635E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8131087E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5802879E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2827281E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">91</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.637011</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.808429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-6.116166</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8728863E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1126544E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9423018E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3757411E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4898859E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3434196E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8585491E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3583165E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3446547E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9954115E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1065538E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1272526E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2069886E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2859754E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4561708E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3234925E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9710945E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1171433E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6269041E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3331215E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">92</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.854006</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-10.060331</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.715006</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2040570E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5335819E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4082845E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1058875E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3268046E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7977490E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1994372E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2287868E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6109414E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5232839E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3360323E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4726273E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1365950E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8872660E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1198997E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9220190E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1806660E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2466331E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7400066E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5103446E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">93</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.812802</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-9.495487</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.716145</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2741527E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2699824E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1521356E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2229137E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7399680E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1126055E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2815137E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2452062E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1525368E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1662646E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2592444E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2369752E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2226922E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6105321E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1211072E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7927602E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3248051E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2910168E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5041255E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2440725E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">94</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.311246</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-9.043763</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.807580</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4983892E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1571721E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7979728E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5204170E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1353084E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2099913E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5249783E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1105080E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2214927E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2951255E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5437837E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5625890E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1880536E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1354596E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2405972E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1746668E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6606659E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6970572E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5630142E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2643799E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">95</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.224906</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.491541</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.270636</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8879664E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2785812E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7165560E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2362917E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1289930E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3235216E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8088040E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9568740E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8110310E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1632734E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6485302E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4882564E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1602738E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1358044E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3175104E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1512673E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4957056E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3383552E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4277164E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3051554E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">96</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.057723</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.394780</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.461015</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3274587E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6160397E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3329616E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5070246E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1075524E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1631072E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4077680E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5747275E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6572556E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4444727E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1748343E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7574367E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5826023E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1666968E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2069506E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1642990E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5619847E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1349329E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8054906E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2923549E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">97</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.151630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-10.060597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.574519</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1068866E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6691627E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5551115E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3469447E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1387779E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4026490E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1006622E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5462337E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4119949E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1030882E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1362287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1717952E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3556646E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3746415E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5744071E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3991130E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1116259E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1406053E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6522230E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3575450E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">98</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.204991</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-9.939689</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.086316</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2038231E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5580528E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4302114E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2220446E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2775558E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8143453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2035863E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2325208E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5973471E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1205947E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3384104E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4732344E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1348240E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8859097E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1197426E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9404572E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1836521E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2503870E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7398448E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5120862E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">99</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.761101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-9.507528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.370874</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2661531E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1200637E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4248853E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5346607E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9874913E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1073902E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2684755E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1507679E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1522419E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3092322E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2471057E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2257359E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2136980E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5868949E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1170381E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6768644E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1780716E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1596779E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5014562E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3801080E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">100</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.820574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.121407</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.027293</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6906988E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3990335E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2924930E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2706346E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2079519E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1343598E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3358994E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2034620E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5963370E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4715253E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5577817E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7796640E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2218823E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2093004E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3493358E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1474763E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8884424E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1046996E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5991381E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1659942E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">101</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.449267</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.246434</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.073790</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1180725E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1723324E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2255141E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8326673E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1491862E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4038004E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1009501E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6283283E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4849469E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1014410E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1488925E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1968348E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4794237E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4278090E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6432266E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4112467E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1120793E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1442198E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6650985E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3669249E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">102</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.350084</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.535243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.312172</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3736944E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2555489E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1706968E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1487959E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1184382E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1539293E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3848232E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3117342E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1869905E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3315243E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3764793E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3681354E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8343926E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9227284E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1729633E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1042721E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2173549E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2103570E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5334823E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4797321E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">103</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.377349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.365343</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.324958</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3125347E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2527413E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8567950E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1781086E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1575263E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1635771E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4089428E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5540258E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6063468E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318276E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1406400E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6902228E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5495828E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1566448E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1959757E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1614532E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5696089E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1339452E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7993072E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2834457E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">104</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.517527</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.202473</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.497711</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1001887E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6113252E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5359889E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2069124E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2088580E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4525223E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1131306E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8868105E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7090408E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6699275E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8878941E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6444825E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2434116E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1595182E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3689034E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1927071E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2399099E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2010753E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4324117E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8032478E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">105</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.493060</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.215497</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.787647</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6135408E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1555845E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1006140E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3122502E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1144917E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2377866E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5944665E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1616419E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2765869E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2140157E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6703471E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7462276E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7588053E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1787213E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3051482E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2069560E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7216791E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8027209E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5856869E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2867701E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">106</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.409848</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.501662</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.140258</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2368681E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3584460E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2102166E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2903121E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3375426E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7714367E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1928592E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2090584E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1745113E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3862627E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1846663E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1764734E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8192867E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5024124E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1022827E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6076003E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3713330E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3170015E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4911999E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1636268E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">107</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.233537</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.357135</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.344440</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1118656E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2163481E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6674620E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5080292E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1994254E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4780463E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1195116E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1479308E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8065611E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1240529E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9573995E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7196832E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2377163E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1847766E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4221490E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2224148E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4729021E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3602919E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4377047E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4703188E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">108</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.143212</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.489824</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.797649</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1232106E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2288918E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2904101E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2234740E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4009293E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5066590E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1266648E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7958247E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4149325E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1094401E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1720387E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2174127E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4537395E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4528097E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6751372E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5168339E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1313969E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1690706E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6706929E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3933379E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">109</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.746378</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.794938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.222313</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1147057E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2822026E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1194215E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1749051E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1865074E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4959965E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1239991E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1887110E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8105431E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1401247E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9941719E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7483526E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2458194E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1910579E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4351841E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2415035E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6541379E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4842867E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4390278E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3691935E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">110</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.292409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.411194</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.634760</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8842607E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4250073E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8326673E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7806256E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4093947E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3136275E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7840689E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3366615E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3856259E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4900522E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1026641E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1269214E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2425725E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2909548E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4629452E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2971686E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8997506E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1089882E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6284865E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3302789E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">111</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.998783</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.469156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.014463</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2121557E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8201318E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6078471E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6453171E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5467848E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8797224E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2199306E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2614359E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5911422E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1254219E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3633042E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5066778E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1433736E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9345259E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1253559E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1025165E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1937560E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2638683E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7454979E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5291009E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">112</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.592453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.811755</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-6.083232</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2098373E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2566379E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6684792E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1701389E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1801309E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8496421E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2124105E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2502321E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6009640E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2317540E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3543588E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4963071E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1419483E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9209346E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1237903E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9879671E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1889130E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2575875E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7439473E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5229747E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">113</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.525219</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.335791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.253977</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4865859E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9115395E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3324753E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1129518E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8486677E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1311553E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3278883E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1006820E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3407427E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6567404E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4048014E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4817145E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7691313E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1311992E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2340861E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1235823E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6829826E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7227265E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5604740E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1809450E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">114</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.957290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.900198</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.285865</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1776834E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1441273E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1301910E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4440892E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4302114E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7357570E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1839393E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1770307E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5259651E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2110472E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2838689E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3837985E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9992962E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7377586E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1023862E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8195731E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1706940E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2296696E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7205644E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4801418E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">115</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.658602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.656455</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.609763</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1036377E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1077793E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4105569E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2634272E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9610859E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4270543E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1067636E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1642981E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7949247E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1602064E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8532056E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6387753E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2144303E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1668816E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3845716E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2105406E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7068113E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4986416E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4339417E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2978739E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">116</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.522562</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.220067</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.768620</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3826856E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3342714E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1896055E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2379550E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1384361E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1125379E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2813448E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6002359E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2661038E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6828794E-03</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3123414E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3433380E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3099661E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9524477E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1777486E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9919422E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5597574E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5516069E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5358398E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1772093E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">117</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.135812</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.170182</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.829502</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1146726E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1217673E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8271162E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7209511E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5280498E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4403227E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1100807E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6507322E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4235857E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9047669E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1511015E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1921222E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4102077E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4114633E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6222131E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4438311E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1202956E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1535542E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6612899E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3689504E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">118</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.441486</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.414188</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.645190</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2072057E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6315491E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6189493E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1249001E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1249001E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8019674E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2004919E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2344792E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6234368E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6116371E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3419846E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4834773E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1414927E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9055669E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1220167E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9306906E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1810851E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2475402E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7421665E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5139520E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">119</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.690715</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.812413</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.935503</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5434706E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1371858E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1092876E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7979728E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2255141E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2224579E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5561447E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1284460E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2415417E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1045983E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5946500E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6331554E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3850534E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1520383E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2656536E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1878332E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6771724E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7302017E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5723181E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2773787E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">120</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.580338</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.591071</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.168321</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1071367E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1361195E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1061332E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7002633E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4858581E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4371221E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1092805E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1346642E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8208069E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1317024E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8780339E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6632625E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2147714E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1744360E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4005181E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2034229E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4756379E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3542925E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4355260E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4276844E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">121</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.950501</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.488326</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.082499</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6682708E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1698994E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1407902E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8534840E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9471590E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2665601E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6664001E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1999734E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2844934E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3833011E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7602442E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8540883E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9384408E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2002881E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3364207E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2360783E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7899606E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8967302E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5953500E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2988482E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">122</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.146650</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.190576</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.558335</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3292007E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1554158E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6245005E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3989864E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1366095E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1337219E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3343048E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1793871E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1742523E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1777389E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3199588E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3056128E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1434598E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7792306E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1495188E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8383725E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1245948E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1174997E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5211590E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6728793E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">123</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.586947</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.140716</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.444095</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1299103E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3377510E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2255700E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1097009E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2261849E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5322048E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1330512E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2166419E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9295515E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1401651E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1093138E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8557638E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2373741E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2255501E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5055093E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2616555E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5926524E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4602739E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4461838E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4414991E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">124</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.519430</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.646041</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.027995</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8515828E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1499909E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2775558E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318390E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6591949E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3405772E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8514430E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3475612E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3335101E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4588281E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1040904E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1230364E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1894605E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2767075E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4435140E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3195708E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9782452E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1174790E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6238980E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3266777E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">125</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.821736</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.748476</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.986056</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1113929E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1641665E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9714451E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1149254E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318390E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4254989E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1063747E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6087815E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4176481E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1233809E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1449618E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1835489E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3858711E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3958480E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6020216E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4261893E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1174252E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1491493E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6575311E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3629454E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">126</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.935704</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.797158</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.265519</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1126461E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1593135E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6404840E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1419876E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7196731E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4640421E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1160105E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1469776E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8405874E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1275866E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9359318E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7117583E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2241734E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1864977E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4257282E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2169367E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4702721E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3576748E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4380674E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4613004E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">127</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.638151</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.672123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.807380</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1276789E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3667125E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2775558E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9020562E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2220446E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4465990E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1116497E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7603364E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4995292E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1299021E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1673870E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2231243E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5573726E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4748365E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7030355E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4629778E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1210470E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1578120E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6754090E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3824776E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">128</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.926635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.575023</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.440791</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1098857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1533943E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3292434E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3462908E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1457622E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4695389E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1173847E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9088736E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7970948E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5602293E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9385094E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7031716E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2353378E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1804290E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4130813E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2008626E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1692519E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1595320E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4367882E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1186767E+02</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">129</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.164333</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.622263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.729018</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1262244E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3983451E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2903233E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3818126E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2700618E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4701426E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1175357E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7902383E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4655387E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1137370E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1695528E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2215699E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5201711E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4676377E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6939393E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4861488E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1279423E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1665041E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6738885E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3799750E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">130</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.232775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.240136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.690756</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3273814E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2884545E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5849201E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3366185E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2804489E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1655784E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4139459E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5918007E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6471916E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9371659E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1705399E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7550257E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5844858E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1666443E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2068934E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1664726E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5758580E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1380496E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8054595E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2890863E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">131</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.634395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.923663</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.966748</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2100330E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2621771E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1967870E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1199041E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1250389E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8538932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2134733E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2518398E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5989017E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1792280E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3553981E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4973228E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1419248E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9220797E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1239223E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9931963E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1898915E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2589671E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7440788E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5230337E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">132</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.276764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.644828</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.429762</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1145651E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1245122E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2081668E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3035766E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1207368E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4291386E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1072846E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6385438E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4339466E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9485942E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1491161E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1909476E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4183147E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4109493E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6215504E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4331832E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1185530E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1514990E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6611681E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3653919E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">133</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.152775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.556635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.648954</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3051526E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7426188E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4365773E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5936045E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9228583E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1529463E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3823656E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5168835E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6231645E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1862535E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1422174E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6668005E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5245831E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1517310E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1905931E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1490244E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5419695E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1258676E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7960994E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2749682E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">134</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.907952</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.057484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.044623</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9363120E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2229660E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1474515E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2220446E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1387779E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3667965E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9169913E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4216292E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3627067E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6024710E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1165659E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1414327E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2486677E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3140117E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4940895E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3520921E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1038519E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1273071E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6355360E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3390327E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">135</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.442972</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.333617</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.075710</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2086557E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1228297E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1190714E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2872702E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9159340E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8529190E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2132297E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2502018E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5930470E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3133850E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3529119E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4925941E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1396822E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9140263E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1229935E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9907832E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1907528E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2603205E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7431504E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5194070E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">136</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.898459</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.152497</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.361665</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6475539E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1482377E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7979728E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2602085E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1249001E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2379692E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5949230E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1700976E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3023795E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5723008E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6964362E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7979493E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1015132E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1920524E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3245416E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2087702E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7002572E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7884299E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5917649E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2981337E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">137</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.951813</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.474825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.938164</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1049294E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2920112E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2151057E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6245005E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1873501E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3877397E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9693492E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5106015E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4148600E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1190965E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1316473E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1663597E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3471239E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3655229E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5624613E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3820623E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1068433E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1339587E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6498633E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3575912E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">138</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.570524</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.493002</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.540751</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9604859E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2513449E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2379972E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6870708E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4255494E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3475994E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8689984E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2442065E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8603711E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4534799E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7039425E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5388865E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1650559E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1507902E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3501616E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2162286E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1433681E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9341203E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4306303E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1508206E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">139</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.171472</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.377568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.026617</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1969335E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1474668E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1130207E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2568085E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9117707E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7906830E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1976707E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2172327E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5809564E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1327428E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3231773E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4486838E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1255066E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8462096E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1151307E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9055254E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1807844E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2461558E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7349991E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5008870E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">140</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.779772</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.285901</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.006200</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1193705E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1457168E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6245005E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4163336E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1249001E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4309638E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1077409E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6668958E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4627370E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1056376E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1549202E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2020994E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4717921E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4340914E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6512708E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4383480E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1162862E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1494515E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6665298E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3769563E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">141</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.862798</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.307326</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.127365</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2981326E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2609303E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1734723E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2602085E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8673617E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1171462E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2928654E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1412073E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1686168E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1833244E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2775470E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2622286E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1531843E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6827541E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1333979E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7174393E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1158899E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1075171E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5118178E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6190695E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">142</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.900616</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-7.381428</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.451766</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1921325E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1012627E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4718448E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8881784E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1179612E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7956446E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1989111E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2091091E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5540669E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5490447E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3162909E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4336707E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1173798E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8188159E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1119326E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9032570E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1791951E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2421895E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7315260E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5040633E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">143</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.102559</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.185238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.246892</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3316301E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6622125E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6870623E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4955897E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4338153E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1672331E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4180828E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6054782E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6547078E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9115812E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1774816E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7730459E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5955643E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1695341E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2100405E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1690411E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5806741E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1399769E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8071493E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2911119E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">144</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">6.089556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.600897</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.380806</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2115166E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1004609E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1040834E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9992007E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1734723E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8682261E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2170565E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2575446E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5959653E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1947219E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3603013E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5035461E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1432448E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9307741E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1249240E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1011267E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1919063E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2615109E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7450721E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5269588E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">145</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.710575</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.105699</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.910164</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1143616E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2605783E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2498002E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7285839E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1387779E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4164582E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1041146E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6193091E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4458361E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4703510E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1467731E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1894316E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4265853E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4099761E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6202952E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4203440E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1153412E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1473828E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6609372E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3644351E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">146</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.830220</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.510951</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-6.388652</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3399754E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2777209E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1892881E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1472598E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1400481E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1651153E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4127884E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6195772E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6911488E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6011713E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2003047E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8133977E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6130930E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1752461E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2162518E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1684065E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5755919E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1400824E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8103798E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2925797E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">147</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.254918</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.249736</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.674195</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1311691E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1595946E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4163336E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1249001E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9020562E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4970993E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1242748E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8721155E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4694141E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9235410E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1800771E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2358795E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5580231E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4922215E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7249199E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5184226E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1334400E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1746806E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6790013E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3885060E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">148</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.344096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.151846</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.649509</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1874749E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7819336E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7728540E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1187939E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2220446E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7835874E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1958968E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2016498E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5400464E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1955319E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3069202E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4179436E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1110234E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7924576E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1088424E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8852539E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1799133E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2434559E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7280781E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4920446E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">149</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.389567</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-8.683547</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.401085</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1727948E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1685137E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3122502E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1443290E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8118506E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6673400E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1668350E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1582113E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5535419E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1581763E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2651403E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3634456E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9830527E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7108195E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9918345E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7405543E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1602987E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2163806E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7166715E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4619839E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">150</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.268883</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.574726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.002186</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2845342E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1157139E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1131113E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2431063E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2124570E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1347215E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3368037E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4432022E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6296036E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1504080E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1288856E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5945748E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4656893E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1382179E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1757194E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1266285E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4963822E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1113846E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7865832E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2551028E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">151</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.739698</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.618781</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.528865</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1287513E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1369806E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5490747E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9292914E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1251499E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4905776E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1226444E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8379414E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4611313E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1108339E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1760215E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2293987E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5337715E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4801611E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7097505E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5088910E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1314620E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1714116E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6765210E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3871013E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">152</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">5.875394</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-6.213101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.802890</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3225089E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1647614E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1024250E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5275923E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1177791E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1615084E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4037711E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5678168E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6471240E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6208679E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1663025E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7363762E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5700736E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1633456E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2032968E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1613984E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5622407E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1339384E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8034834E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2870629E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">153</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.917668</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.047065</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.390998</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187687E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3476807E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2319890E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1154505E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2318063E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1607631E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4019078E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5616861E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6376068E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8374259E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1591601E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7202279E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5610678E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1608247E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2005450E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1597614E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5624769E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1332511E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8019383E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2840319E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">154</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.965371</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.934359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.754456</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3091654E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6179488E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5537732E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2651213E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2729342E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1513536E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3783840E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5188775E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6435837E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6486267E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1536137E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6856114E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5319977E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1543972E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1935152E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1482637E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5357966E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1251231E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7978557E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2767164E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">155</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.135376</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-5.584530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.501801</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3023199E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2747796E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9592068E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2512661E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5628862E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1476741E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3691852E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5009413E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6354579E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6879019E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1448793E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6589438E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5140645E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1498560E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1885357E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1430663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5285185E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1220949E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7948414E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2706930E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <list cmlx:templateRef="bondPaths">
                     <array dataType="xsd:integer" dictRef="a:bondPath" size="71">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71</array>
                     <array dataType="xsd:integer" dictRef="a:cp" size="71">137 119 145 113 148 147 155 112 127 90 134 118 55 54 133 53 88 94 93 114 101 76 65 139 80 138 106 136 96 70 89 63 97 72 92 135 110 108 82 86 131 140 111 149 98 87 116 100 121 124 130 79 144 154 117 58 151 152 143 77 142 125 146 132 129 153 91 105 150 103 71</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx1" size="71">1 1 1 2 2 3 3 4 5 5 5 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 11 12 12 12 12 12 13 13 14 15 16 16 16 17 17 18 19 20 20 20 21 21 23 23 25 26 26 27 27 27 28 28 30 30 31 33 34 35 36 36 37 38 38 38 39</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx2" size="71">18 42 43 29 43 43 51 43 18 43 44 44 22 44 49 44 51 20 32 44 18 40 44 18 25 34 50 18 45 47 48 49 20 32 20 42 18 40 41 19 41 23 40 21 24 31 22 46 41 42 35 39 41 29 42 45 40 50 33 35 40 42 37 41 41 48 43 40 46 47 42</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="71">2.059374 2.317039 2.022209 1.669982 1.810415 1.960829 1.013689 1.764098 1.984883 2.286752 2.098982 1.771190 0.998996 2.647098 1.014241 1.811808 1.649989 2.338619 2.010580 1.826001 2.020830 2.221808 2.101407 1.793129 1.921561 2.439138 1.976598 2.271442 0.990180 1.742941 1.924751 1.676992 2.051017 0.981486 1.777022 1.766886 2.136631 1.982386 2.286118 3.238435 1.764430 2.007586 1.758918 1.845839 1.776492 2.467174 1.774714 1.536670 2.238292 2.136609 0.990076 3.292550 1.760700 1.008826 2.018736 1.953497 1.968898 0.993766 0.986340 2.139685 1.797717 2.031512 0.977927 2.019056 1.979596 0.997761 2.137067 2.276748 1.037059 1.006856 1.761924</array>
                     <array dataType="xsd:double" dictRef="a:length" size="71">2.059603 2.317547 2.022481 1.670797 1.810698 1.961915 1.013798 1.764139 1.984974 2.287117 2.099269 1.771219 0.999099 2.647438 1.014337 1.812122 1.650244 2.338929 2.417526 1.826475 2.020903 2.221978 2.101701 1.793302 1.926980 2.486045 1.984198 2.271699 0.990199 1.746040 1.925853 1.677947 2.051854 0.981510 1.777056 1.767043 2.136824 1.982838 2.286267 3.248206 1.764502 2.007810 1.759013 1.846225 1.776533 2.467499 1.775627 1.537013 2.238691 2.136972 0.990148 3.313052 1.760724 1.008914 2.019558 1.960903 1.969516 0.993850 0.986408 2.141143 1.798469 2.032437 0.977966 2.020260 1.980582 0.997819 2.138284 2.277149 1.037167 1.006947 1.761962</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="71">28 27 25 24 23 23 18 22 23 27 26 23 19 29 19 24 25 27 29 25 25 29 25 24 28 32 28 27 18 24 27 25 25 17 24 23 25 25 29 35 23 27 24 22 25 31 23 25 27 26 19 35 24 19 25 28 23 21 17 29 23 27 17 25 23 19 26 28 18 19 24</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="51">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="51">O O O O O O O O O O O O O O O O O Mo O Mo O H O O H O O O H H O H O H O O O O O Mo Mo Mo Mo Mo H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="51">-1.0488 -0.8793 -0.8681 -0.8113 -1.0799 -0.8435 -0.7627 -0.9158 -0.9623 -1.0892 -0.8625 -0.9049 -0.8926 -0.8441 -0.7987 -1.0605 -0.8008 2.8779 -0.7863 2.1003 -0.9468 0.3407 -1.0919 -0.8406 0.3136 -0.7925 -0.8830 -0.8662 0.3143 0.3057 -0.8519 0.3069 -0.8782 0.2811 -0.8672 -0.8564 -0.9215 -0.7359 -0.8029 2.3883 2.2449 2.2261 2.3058 2.3101 0.2599 0.3493 0.3687 0.3104 0.3529 0.2964 0.2933</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="51">1.9394 1.9621 1.8723 1.9714 1.9420 1.9732 1.8351 1.9649 1.9606 1.9408 1.9844 1.8756 1.8782 1.9671 1.9752 1.9371 1.9750 0.2203 1.9757 0.1617 1.9554 0.5244 1.9376 1.9670 0.5500 1.9759 1.8752 1.8760 0.5304 0.5677 1.9747 0.5733 1.8722 0.5960 1.8730 1.8739 1.8704 1.8318 1.9728 0.2072 0.2025 0.1952 0.1947 0.1904 0.6048 0.4889 0.4910 0.5518 0.4978 0.5716 0.5420</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="51">5.0848 4.8976 4.9726 4.8210 5.1118 4.8518 4.8956 4.9316 4.9834 5.1238 4.8554 4.9998 4.9888 4.8593 4.8045 5.0996 4.8067 -0.4819 4.7909 -0.0389 4.9706 0.1349 5.1292 4.8560 0.1364 4.7969 4.9821 4.9650 0.1554 0.1266 4.8571 0.1198 4.9810 0.1228 4.9683 4.9579 5.0268 4.8704 4.8109 -0.2732 -0.1579 -0.1405 -0.1979 -0.1899 0.1353 0.1618 0.1403 0.1378 0.1493 0.1320 0.1647</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="51">0.0246 0.0196 0.0232 0.0189 0.0261 0.0185 0.0320 0.0193 0.0183 0.0246 0.0227 0.0295 0.0256 0.0178 0.0190 0.0237 0.0191 3.3836 0.0197 3.7770 0.0207 0.0000 0.0251 0.0176 0.0000 0.0197 0.0258 0.0252 0.0000 0.0000 0.0201 0.0000 0.0251 0.0000 0.0258 0.0245 0.0243 0.0337 0.0193 3.6777 3.7106 3.7192 3.6974 3.6894 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="51">0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="51">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="51">O O O O O O O O O O O O O O O O O Mo O Mo O H O O H O O O H H O H O H O O O O O Mo Mo Mo Mo Mo H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="51">-1.063815 -0.883741 -0.719413 -0.920796 -1.058356 -0.947625 -0.379354 -0.907143 -0.992196 -1.071299 -0.786849 -0.522693 -0.712736 -0.972703 -0.913573 -1.054797 -0.914667 2.658292 -0.893152 2.605298 -0.837670 0.041305 -1.052949 -0.960908 0.033968 -0.897597 -0.678009 -0.685257 0.021908 0.026980 -0.949261 0.035189 -0.713674 0.013220 -0.663008 -0.690040 -0.758874 -0.375313 -0.914428 2.635761 2.633639 2.633176 2.642431 2.606422 0.029411 0.049851 0.065961 0.041966 0.043883 0.046175 0.027059</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="51">-0.680528 -0.787545 -0.871163 -0.777008 -0.644137 -0.821202 -0.777654 -0.834095 -0.777142 -0.653447 -0.598014 -0.588583 -0.939320 -0.852301 -0.785686 -0.681755 -0.775725 1.842798 -0.755232 2.009483 -0.779048 0.252349 -0.637113 -0.830969 0.269438 -0.757909 -0.865290 -0.872914 0.256037 0.289173 -0.746010 0.327203 -0.914558 0.268396 -0.870600 -0.874976 -1.019236 -0.711695 -0.779531 1.956047 1.990959 1.988689 2.004061 1.938086 0.215217 0.260581 0.285054 0.284040 0.243563 0.298392 0.280817</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="51">-0.736828 -0.866937 -0.945312 -0.791014 -0.714151 -0.831613 -0.833837 -0.886289 -0.890040 -0.699978 -0.663345 -0.639837 -0.961898 -0.871884 -0.827474 -0.718728 -0.796466 1.824915 -0.755329 2.160135 -0.851366 0.325463 -0.684321 -0.853932 0.338165 -0.781446 -0.893383 -0.950661 0.312184 0.387847 -0.809538 0.382484 -0.984625 0.279300 -0.944523 -0.985415 -1.034011 -0.839443 -0.795630 2.055625 2.088220 2.106720 2.132841 2.017077 0.233293 0.299996 0.380264 0.420033 0.286795 0.398987 0.408912</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">-104.49786221 166.39089064 96.79999638</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">219.03417768</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">256.62098322 544.45589320 240.89989950 -560.79434816 -427.72326414 304.17336494</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-228.5439</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">-40.9007</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">258.7814</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-295.7832</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-62.3739</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-368.8203</scalar>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
