<?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">2019-11-09</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">May11-2021 13:52:04</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</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="-6.5938"
                        y3="-1.6051"
                        z3="-2.9795"/>
                  <atom elementType="Ta"
                        id="a2"
                        x3="-0.9566"
                        y3="-3.6425"
                        z3="-0.4189"/>
                  <atom elementType="O"
                        id="a3"
                        x3="-8.0160"
                        y3="-0.0799"
                        z3="-1.0036"/>
                  <atom elementType="Ta"
                        id="a4"
                        x3="-7.3804"
                        y3="-3.4529"
                        z3="-2.4909"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-4.5530"
                        y3="-2.4454"
                        z3="1.3399"/>
                  <atom elementType="O"
                        id="a6"
                        x3="-2.9635"
                        y3="-4.1071"
                        z3="-0.5265"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-8.2085"
                        y3="-1.0146"
                        z3="1.5609"/>
                  <atom elementType="O"
                        id="a8"
                        x3="-5.5998"
                        y3="1.0412"
                        z3="-2.2222"/>
                  <atom elementType="O"
                        id="a9"
                        x3="0.2151"
                        y3="-2.6450"
                        z3="-1.3907"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-3.0921"
                        y3="-0.2682"
                        z3="2.4728"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-0.7075"
                        y3="-5.3652"
                        z3="-1.5225"/>
                  <atom elementType="O"
                        id="a12"
                        x3="-7.7591"
                        y3="-4.1405"
                        z3="-4.1140"/>
                  <atom elementType="O"
                        id="a13"
                        x3="-1.8298"
                        y3="-1.6934"
                        z3="0.1797"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-7.8710"
                        y3="-4.9492"
                        z3="-1.2514"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-5.5799"
                        y3="-0.0739"
                        z3="0.6572"/>
                  <atom elementType="Ta"
                        id="a16"
                        x3="-3.6413"
                        y3="-0.5267"
                        z3="0.5330"/>
                  <atom elementType="Ta"
                        id="a17"
                        x3="-6.4199"
                        y3="-1.7203"
                        z3="1.9425"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-4.3202"
                        y3="-1.5045"
                        z3="-1.1602"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-8.2904"
                        y3="-6.1248"
                        z3="1.4623"/>
                  <atom elementType="Ta"
                        id="a20"
                        x3="-6.1706"
                        y3="-0.4858"
                        z3="-1.4637"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-9.0472"
                        y3="-2.4916"
                        z3="-1.9703"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-1.1859"
                        y3="-1.0674"
                        z3="-0.2036"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-2.4829"
                        y3="0.4941"
                        z3="2.5238"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-7.0506"
                        y3="-3.5160"
                        z3="2.3270"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-9.2975"
                        y3="-3.4320"
                        z3="0.6569"/>
                  <atom elementType="Ta"
                        id="a26"
                        x3="-4.7722"
                        y3="-3.5260"
                        z3="-0.4286"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-6.0860"
                        y3="-1.0447"
                        z3="3.5747"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-2.8875"
                        y3="0.9593"
                        z3="-0.1182"/>
                  <atom elementType="H"
                        id="a29"
                        x3="0.0716"
                        y3="-5.2651"
                        z3="-2.1007"/>
                  <atom elementType="O"
                        id="a30"
                        x3="-10.7524"
                        y3="-0.9142"
                        z3="-0.0605"/>
                  <atom elementType="O"
                        id="a31"
                        x3="-0.2033"
                        y3="-4.0849"
                        z3="1.1629"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-5.6527"
                        y3="-4.9734"
                        z3="0.4524"/>
                  <atom elementType="Ta"
                        id="a33"
                        x3="-7.7033"
                        y3="-4.5999"
                        z3="0.7040"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-6.7466"
                        y3="-2.5325"
                        z3="-0.3085"/>
                  <atom elementType="Ta"
                        id="a35"
                        x3="-9.0930"
                        y3="-1.6045"
                        z3="-0.1717"/>
                  <atom elementType="O"
                        id="a36"
                        x3="-5.4081"
                        y3="-3.9736"
                        z3="-2.2058"/>
                  <atom elementType="H"
                        id="a37"
                        x3="-5.8493"
                        y3="0.8774"
                        z3="0.6417"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a20" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a31" order="S"/>
                  <bond atomRefs2="a3 a35" order="S"/>
                  <bond atomRefs2="a3 a20" order="S"/>
                  <bond atomRefs2="a4 a36" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a26" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a10 a16" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a17 a24" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a33" order="S"/>
                  <bond atomRefs2="a21 a35" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
               </bondArray>
               <formula concise="H4O25Ta8"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1847.568199999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="2698" startLine="2696">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="2702" startLine="2700">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2711" startLine="2704">
                     <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">May11-2021 13:52:02</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="Ta" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Ta</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">May11-2021 13:52:00</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">Tantalum</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4d</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">May11-2021 13:51:59</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">-11.92288905</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.16995664</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">0.02627778</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">0.16995664</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02627778</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05260255</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">0.01014964</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="-6.592145"
                                 y3="-1.605559"
                                 z3="-2.974987"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.967448"
                                 y3="-3.647981"
                                 z3="-0.42231"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.001334"
                                 y3="-0.087448"
                                 z3="-0.999897"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.379917"
                                 y3="-3.454663"
                                 z3="-2.491656"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.557844"
                                 y3="-2.428844"
                                 z3="1.326821"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.972424"
                                 y3="-4.100275"
                                 z3="-0.530099"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.192452"
                                 y3="-1.020494"
                                 z3="1.555897"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.605374"
                                 y3="1.035531"
                                 z3="-2.208882"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.20453"
                                 y3="-2.644396"
                                 z3="-1.381372"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.093118"
                                 y3="-0.276405"
                                 z3="2.44549"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.716194"
                                 y3="-5.365943"
                                 z3="-1.505508"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.758985"
                                 y3="-4.138379"
                                 z3="-4.109185"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.829866"
                                 y3="-1.695587"
                                 z3="0.169947"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.865607"
                                 y3="-4.941146"
                                 z3="-1.249796"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.593496"
                                 y3="-0.057255"
                                 z3="0.66344"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.619813"
                                 y3="-0.535957"
                                 z3="0.524018"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.420449"
                                 y3="-1.730566"
                                 z3="1.943664"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.326556"
                                 y3="-1.497839"
                                 z3="-1.152447"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.282677"
                                 y3="-6.120302"
                                 z3="1.45594"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.172835"
                                 y3="-0.492441"
                                 z3="-1.475265"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.037594"
                                 y3="-2.490943"
                                 z3="-1.964861"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.180343"
                                 y3="-1.07321"
                                 z3="-0.213439"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.493574"
                                 y3="0.49367"
                                 z3="2.506574"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-7.042984"
                                 y3="-3.51221"
                                 z3="2.319648"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.284039"
                                 y3="-3.430197"
                                 z3="0.654012"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.770739"
                                 y3="-3.52641"
                                 z3="-0.434821"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.084353"
                                 y3="-1.052762"
                                 z3="3.561657"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.901585"
                                 y3="0.94825"
                                 z3="-0.119806"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.068652"
                                 y3="-5.270981"
                                 z3="-2.076271"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.739229"
                                 y3="-0.917841"
                                 z3="-0.058779"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.224517"
                                 y3="-4.078834"
                                 z3="1.163491"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.649641"
                                 y3="-4.963536"
                                 z3="0.445934"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.697251"
                                 y3="-4.600629"
                                 z3="0.700975"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.739421"
                                 y3="-2.52937"
                                 z3="-0.309277"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.087097"
                                 y3="-1.608429"
                                 z3="-0.171446"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.41056"
                                 y3="-3.96835"
                                 z3="-2.20227"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.867128"
                                 y3="0.888974"
                                 z3="0.694347"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.93542690</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12046702</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">0.01881611</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">0.12046702</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01881611</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12817487</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">0.02169374</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="-6.596586"
                                 y3="-1.610113"
                                 z3="-2.97901"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.979844"
                                 y3="-3.660176"
                                 z3="-0.429313"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-7.975987"
                                 y3="-0.09999"
                                 z3="-0.990374"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.386293"
                                 y3="-3.458921"
                                 z3="-2.494268"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.569084"
                                 y3="-2.390554"
                                 z3="1.294954"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.98293"
                                 y3="-4.083894"
                                 z3="-0.540442"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.162108"
                                 y3="-1.029066"
                                 z3="1.547033"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.613114"
                                 y3="1.037393"
                                 z3="-2.195364"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.196856"
                                 y3="-2.645403"
                                 z3="-1.3700"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.099826"
                                 y3="-0.297618"
                                 z3="2.391316"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.716944"
                                 y3="-5.369729"
                                 z3="-1.46275"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.772755"
                                 y3="-4.139465"
                                 z3="-4.107606"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.828328"
                                 y3="-1.69678"
                                 z3="0.142947"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.859856"
                                 y3="-4.92459"
                                 z3="-1.247358"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.614836"
                                 y3="-0.022103"
                                 z3="0.676681"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.565761"
                                 y3="-0.561605"
                                 z3="0.499218"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.422922"
                                 y3="-1.75807"
                                 z3="1.947436"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.343483"
                                 y3="-1.482199"
                                 z3="-1.138202"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.27526"
                                 y3="-6.119958"
                                 z3="1.443891"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.180986"
                                 y3="-0.5098"
                                 z3="-1.506287"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.022599"
                                 y3="-2.487398"
                                 z3="-1.952899"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.163607"
                                 y3="-1.088954"
                                 z3="-0.238804"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.536919"
                                 y3="0.49516"
                                 z3="2.494136"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-7.031444"
                                 y3="-3.514778"
                                 z3="2.309634"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.258445"
                                 y3="-3.424864"
                                 z3="0.650374"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.771876"
                                 y3="-3.527749"
                                 z3="-0.452274"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.074984"
                                 y3="-1.066568"
                                 z3="3.555859"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.92388"
                                 y3="0.950241"
                                 z3="-0.14117"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.080351"
                                 y3="-5.294414"
                                 z3="-2.019583"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.722463"
                                 y3="-0.918801"
                                 z3="-0.050933"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.26233"
                                 y3="-4.060028"
                                 z3="1.174493"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.647836"
                                 y3="-4.946168"
                                 z3="0.434056"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.687616"
                                 y3="-4.602638"
                                 z3="0.693878"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.725991"
                                 y3="-2.520846"
                                 z3="-0.311734"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.075579"
                                 y3="-1.615543"
                                 z3="-0.168704"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.421965"
                                 y3="-3.957307"
                                 z3="-2.201873"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.888178"
                                 y3="0.904535"
                                 z3="0.822521"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.94922162</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04726341</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">0.00849089</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">0.04726341</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00849089</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06136093</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">0.01174752</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="-6.608369"
                                 y3="-1.614648"
                                 z3="-2.997668"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.972739"
                                 y3="-3.667912"
                                 z3="-0.431234"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-7.97606"
                                 y3="-0.101655"
                                 z3="-0.987218"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.395792"
                                 y3="-3.460445"
                                 z3="-2.496561"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.572701"
                                 y3="-2.370767"
                                 z3="1.279455"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.978275"
                                 y3="-4.071893"
                                 z3="-0.546721"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.156841"
                                 y3="-1.028628"
                                 z3="1.545774"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.620256"
                                 y3="1.040928"
                                 z3="-2.206469"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.206009"
                                 y3="-2.649232"
                                 z3="-1.368953"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.105172"
                                 y3="-0.302432"
                                 z3="2.383397"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.704812"
                                 y3="-5.37894"
                                 z3="-1.443413"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.790087"
                                 y3="-4.144155"
                                 z3="-4.109464"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.819093"
                                 y3="-1.691157"
                                 z3="0.127746"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.860968"
                                 y3="-4.919919"
                                 z3="-1.247563"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.615029"
                                 y3="-0.01204"
                                 z3="0.678459"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.533346"
                                 y3="-0.574247"
                                 z3="0.485124"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.424791"
                                 y3="-1.771336"
                                 z3="1.950703"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.354792"
                                 y3="-1.471969"
                                 z3="-1.137426"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.276505"
                                 y3="-6.123869"
                                 z3="1.437635"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.188598"
                                 y3="-0.516839"
                                 z3="-1.52494"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.023117"
                                 y3="-2.484851"
                                 z3="-1.948721"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.141126"
                                 y3="-1.09554"
                                 z3="-0.252306"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.572986"
                                 y3="0.506077"
                                 z3="2.519968"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-7.03148"
                                 y3="-3.527335"
                                 z3="2.313096"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.251367"
                                 y3="-3.422357"
                                 z3="0.652372"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.775727"
                                 y3="-3.525068"
                                 z3="-0.462772"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.070387"
                                 y3="-1.073287"
                                 z3="3.563271"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.930001"
                                 y3="0.964683"
                                 z3="-0.155566"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.09421"
                                 y3="-5.322278"
                                 z3="-1.999702"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.722446"
                                 y3="-0.917403"
                                 z3="-0.044269"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.269906"
                                 y3="-4.05115"
                                 z3="1.184493"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.649392"
                                 y3="-4.94028"
                                 z3="0.432072"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.685434"
                                 y3="-4.603377"
                                 z3="0.691041"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.72271"
                                 y3="-2.513296"
                                 z3="-0.313389"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.073012"
                                 y3="-1.617027"
                                 z3="-0.165423"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.430491"
                                 y3="-3.950089"
                                 z3="-2.209229"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.881818"
                                 y3="0.90497"
                                 z3="0.883882"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95300482</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02886487</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">0.00529641</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">0.02886487</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00529641</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07125300</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">0.02050482</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="-6.635475"
                                 y3="-1.616317"
                                 z3="-3.038121"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.952701"
                                 y3="-3.684731"
                                 z3="-0.431093"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-7.993753"
                                 y3="-0.098917"
                                 z3="-0.988073"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.412873"
                                 y3="-3.458279"
                                 z3="-2.501658"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.571845"
                                 y3="-2.345434"
                                 z3="1.26371"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.965708"
                                 y3="-4.042835"
                                 z3="-0.555227"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.162633"
                                 y3="-1.026522"
                                 z3="1.552422"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.642475"
                                 y3="1.04034"
                                 z3="-2.246205"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.226215"
                                 y3="-2.662034"
                                 z3="-1.366668"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.11596"
                                 y3="-0.288677"
                                 z3="2.396076"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.686027"
                                 y3="-5.408369"
                                 z3="-1.420293"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.819431"
                                 y3="-4.151292"
                                 z3="-4.110749"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.790952"
                                 y3="-1.671824"
                                 z3="0.108729"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.861519"
                                 y3="-4.91971"
                                 z3="-1.25165"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.598525"
                                 y3="-0.014865"
                                 z3="0.672758"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.483675"
                                 y3="-0.585428"
                                 z3="0.469029"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.42681"
                                 y3="-1.785576"
                                 z3="1.958651"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.371863"
                                 y3="-1.450111"
                                 z3="-1.145894"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.275166"
                                 y3="-6.13192"
                                 z3="1.424523"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.203355"
                                 y3="-0.518589"
                                 z3="-1.550631"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.033911"
                                 y3="-2.482221"
                                 z3="-1.946284"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.087852"
                                 y3="-1.103147"
                                 z3="-0.268319"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.644239"
                                 y3="0.54699"
                                 z3="2.576232"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-7.035312"
                                 y3="-3.554527"
                                 z3="2.327756"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.247986"
                                 y3="-3.422898"
                                 z3="0.659403"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.782425"
                                 y3="-3.511349"
                                 z3="-0.47746"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.071168"
                                 y3="-1.089733"
                                 z3="3.577112"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.937169"
                                 y3="0.98678"
                                 z3="-0.162086"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.106121"
                                 y3="-5.388407"
                                 z3="-1.988345"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.727936"
                                 y3="-0.919517"
                                 z3="-0.031064"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.269524"
                                 y3="-4.045463"
                                 z3="1.198959"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.647126"
                                 y3="-4.930675"
                                 z3="0.431632"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.68151"
                                 y3="-4.604277"
                                 z3="0.688156"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.721254"
                                 y3="-2.496865"
                                 z3="-0.31532"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.073035"
                                 y3="-1.616501"
                                 z3="-0.157627"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.438448"
                                 y3="-3.93255"
                                 z3="-2.226044"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.848105"
                                 y3="0.886688"
                                 z3="0.953147"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO3TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95632040</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01187463</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">0.00359734</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">0.01187463</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00359734</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03208171</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">0.00889973</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="-6.644792"
                                 y3="-1.608591"
                                 z3="-3.045521"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.95048"
                                 y3="-3.696122"
                                 z3="-0.42929"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.003754"
                                 y3="-0.097815"
                                 z3="-0.990211"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.416464"
                                 y3="-3.453189"
                                 z3="-2.505249"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.568302"
                                 y3="-2.344516"
                                 z3="1.265171"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.965334"
                                 y3="-4.025602"
                                 z3="-0.558127"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.167048"
                                 y3="-1.031626"
                                 z3="1.560983"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.657629"
                                 y3="1.038594"
                                 z3="-2.265323"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.22853"
                                 y3="-2.674954"
                                 z3="-1.363007"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.115838"
                                 y3="-0.27026"
                                 z3="2.400909"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.689952"
                                 y3="-5.42843"
                                 z3="-1.408351"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.82421"
                                 y3="-4.148944"
                                 z3="-4.111047"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.776425"
                                 y3="-1.660696"
                                 z3="0.107203"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.856352"
                                 y3="-4.922416"
                                 z3="-1.25703"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.588322"
                                 y3="-0.023943"
                                 z3="0.669396"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.471115"
                                 y3="-0.583756"
                                 z3="0.470165"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.426401"
                                 y3="-1.788589"
                                 z3="1.963781"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.373582"
                                 y3="-1.438892"
                                 z3="-1.151088"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.267008"
                                 y3="-6.137441"
                                 z3="1.414859"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.208946"
                                 y3="-0.51252"
                                 z3="-1.554382"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.039813"
                                 y3="-2.483933"
                                 z3="-1.946352"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.063787"
                                 y3="-1.105145"
                                 z3="-0.271517"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.666961"
                                 y3="0.579071"
                                 z3="2.575263"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-7.033404"
                                 y3="-3.562116"
                                 z3="2.331442"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.247576"
                                 y3="-3.42891"
                                 z3="0.660499"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.783481"
                                 y3="-3.500536"
                                 z3="-0.481414"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.077816"
                                 y3="-1.10217"
                                 z3="3.582564"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.942573"
                                 y3="0.992815"
                                 z3="-0.152809"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.094386"
                                 y3="-5.420278"
                                 z3="-1.986986"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.72878"
                                 y3="-0.926028"
                                 z3="-0.023751"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.272817"
                                 y3="-4.048491"
                                 z3="1.203505"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.639985"
                                 y3="-4.925067"
                                 z3="0.427141"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.676954"
                                 y3="-4.60651"
                                 z3="0.686168"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.721127"
                                 y3="-2.490251"
                                 z3="-0.315432"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.073242"
                                 y3="-1.616541"
                                 z3="-0.15301"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.434919"
                                 y3="-3.920692"
                                 z3="-2.231491"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.833133"
                                 y3="0.87573"
                                 z3="0.961819"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO3TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95714281</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00846062</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">0.00243489</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">0.00846062</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00243489</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03809683</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">0.01108852</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="-6.652505"
                                 y3="-1.596121"
                                 z3="-3.044114"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.953221"
                                 y3="-3.712473"
                                 z3="-0.42694"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.011589"
                                 y3="-0.097073"
                                 z3="-0.990016"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.419445"
                                 y3="-3.445133"
                                 z3="-2.51059"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.562562"
                                 y3="-2.349137"
                                 z3="1.269695"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.967221"
                                 y3="-4.004659"
                                 z3="-0.563536"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.16765"
                                 y3="-1.041467"
                                 z3="1.572486"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.67595"
                                 y3="1.042455"
                                 z3="-2.283245"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.226906"
                                 y3="-2.69702"
                                 z3="-1.363212"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.117468"
                                 y3="-0.249229"
                                 z3="2.400344"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.696076"
                                 y3="-5.455831"
                                 z3="-1.382872"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.826955"
                                 y3="-4.141941"
                                 z3="-4.114192"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.761925"
                                 y3="-1.647957"
                                 z3="0.107134"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.84702"
                                 y3="-4.924019"
                                 z3="-1.264879"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.579064"
                                 y3="-0.033575"
                                 z3="0.667121"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.459641"
                                 y3="-0.581065"
                                 z3="0.47385"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.424059"
                                 y3="-1.792889"
                                 z3="1.970797"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.371725"
                                 y3="-1.425384"
                                 z3="-1.156393"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.253618"
                                 y3="-6.146797"
                                 z3="1.401885"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.214321"
                                 y3="-0.502667"
                                 z3="-1.555475"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.045048"
                                 y3="-2.487214"
                                 z3="-1.944642"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.041689"
                                 y3="-1.108149"
                                 z3="-0.278624"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.695163"
                                 y3="0.617168"
                                 z3="2.556524"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-7.02593"
                                 y3="-3.567631"
                                 z3="2.330203"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.244026"
                                 y3="-3.438407"
                                 z3="0.658919"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.784483"
                                 y3="-3.486244"
                                 z3="-0.486669"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.084159"
                                 y3="-1.117621"
                                 z3="3.593092"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.954358"
                                 y3="1.000658"
                                 z3="-0.144912"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.075888"
                                 y3="-5.455707"
                                 z3="-1.977918"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.727105"
                                 y3="-0.934065"
                                 z3="-0.012004"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.283358"
                                 y3="-4.049623"
                                 z3="1.211765"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.630016"
                                 y3="-4.918567"
                                 z3="0.416724"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.669793"
                                 y3="-4.610996"
                                 z3="0.682262"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.720271"
                                 y3="-2.483489"
                                 z3="-0.315582"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.07105"
                                 y3="-1.61673"
                                 z3="-0.146276"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.429835"
                                 y3="-3.905008"
                                 z3="-2.237727"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.819902"
                                 y3="0.864845"
                                 z3="0.966496"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO3TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95777085</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00637878</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">0.00166473</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">0.00637878</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00166473</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02672025</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">0.00723681</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="-6.655054"
                                 y3="-1.590347"
                                 z3="-3.039133"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.956121"
                                 y3="-3.724053"
                                 z3="-0.425534"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.012381"
                                 y3="-0.09632"
                                 z3="-0.986857"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.422127"
                                 y3="-3.440553"
                                 z3="-2.51448"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.557761"
                                 y3="-2.354092"
                                 z3="1.272441"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.967027"
                                 y3="-3.994311"
                                 z3="-0.570074"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.163623"
                                 y3="-1.047627"
                                 z3="1.578366"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.685829"
                                 y3="1.050137"
                                 z3="-2.291361"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.220646"
                                 y3="-2.712544"
                                 z3="-1.371381"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.12416"
                                 y3="-0.240879"
                                 z3="2.398821"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.692929"
                                 y3="-5.4753"
                                 z3="-1.356152"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.829991"
                                 y3="-4.136111"
                                 z3="-4.118963"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.755425"
                                 y3="-1.640723"
                                 z3="0.107715"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.841248"
                                 y3="-4.922726"
                                 z3="-1.269362"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.576983"
                                 y3="-0.036549"
                                 z3="0.66641"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.452694"
                                 y3="-0.580832"
                                 z3="0.475542"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.420538"
                                 y3="-1.796446"
                                 z3="1.975324"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.36868"
                                 y3="-1.418028"
                                 z3="-1.15925"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.245788"
                                 y3="-6.154018"
                                 z3="1.395295"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.215947"
                                 y3="-0.496155"
                                 z3="-1.555779"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.046203"
                                 y3="-2.488849"
                                 z3="-1.94169"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.034131"
                                 y3="-1.109738"
                                 z3="-0.28826"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.718832"
                                 y3="0.635528"
                                 z3="2.545818"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-7.01797"
                                 y3="-3.570323"
                                 z3="2.325524"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.238561"
                                 y3="-3.443569"
                                 z3="0.656485"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.786239"
                                 y3="-3.477724"
                                 z3="-0.491326"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.083585"
                                 y3="-1.125725"
                                 z3="3.602399"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.963355"
                                 y3="1.006595"
                                 z3="-0.144696"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.065276"
                                 y3="-5.474369"
                                 z3="-1.968518"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.723412"
                                 y3="-0.936015"
                                 z3="-0.002418"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.292478"
                                 y3="-4.043926"
                                 z3="1.220065"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.625801"
                                 y3="-4.916698"
                                 z3="0.407812"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.66541"
                                 y3="-4.615001"
                                 z3="0.678909"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.719055"
                                 y3="-2.480251"
                                 z3="-0.316138"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.066702"
                                 y3="-1.616189"
                                 z3="-0.14153"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.429387"
                                 y3="-3.896857"
                                 z3="-2.243058"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.815904"
                                 y3="0.861826"
                                 z3="0.968514"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO3TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95804901</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00531620</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">0.00142769</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">0.00531620</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00142769</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03407941</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">0.00713178</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="-6.654663"
                                 y3="-1.588884"
                                 z3="-3.03329"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.95976"
                                 y3="-3.734186"
                                 z3="-0.423519"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.009987"
                                 y3="-0.094694"
                                 z3="-0.981802"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.424779"
                                 y3="-3.438135"
                                 z3="-2.518343"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.552055"
                                 y3="-2.35933"
                                 z3="1.274089"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.965739"
                                 y3="-3.989767"
                                 z3="-0.579566"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.157449"
                                 y3="-1.051456"
                                 z3="1.581556"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.692298"
                                 y3="1.058753"
                                 z3="-2.294278"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.205287"
                                 y3="-2.723732"
                                 z3="-1.386231"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.133044"
                                 y3="-0.236333"
                                 z3="2.400299"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.680422"
                                 y3="-5.495604"
                                 z3="-1.322073"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.833905"
                                 y3="-4.12997"
                                 z3="-4.125151"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.752648"
                                 y3="-1.634508"
                                 z3="0.110811"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.837383"
                                 y3="-4.920443"
                                 z3="-1.272678"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.579222"
                                 y3="-0.036959"
                                 z3="0.665483"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.448726"
                                 y3="-0.580816"
                                 z3="0.476444"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.414961"
                                 y3="-1.798978"
                                 z3="1.978832"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.364469"
                                 y3="-1.413716"
                                 z3="-1.161552"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.240487"
                                 y3="-6.160395"
                                 z3="1.392195"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.21468"
                                 y3="-0.489876"
                                 z3="-1.555136"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.044968"
                                 y3="-2.488751"
                                 z3="-1.938516"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.03621"
                                 y3="-1.109983"
                                 z3="-0.301945"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.739216"
                                 y3="0.645679"
                                 z3="2.54537"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-7.009138"
                                 y3="-3.573356"
                                 z3="2.319063"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.231174"
                                 y3="-3.446513"
                                 z3="0.654077"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.78909"
                                 y3="-3.47111"
                                 z3="-0.496329"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.078984"
                                 y3="-1.13148"
                                 z3="3.609164"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.969074"
                                 y3="1.010141"
                                 z3="-0.14563"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.053493"
                                 y3="-5.48722"
                                 z3="-1.963396"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.716881"
                                 y3="-0.934919"
                                 z3="0.006677"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.300682"
                                 y3="-4.029482"
                                 z3="1.229722"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.624267"
                                 y3="-4.917804"
                                 z3="0.398709"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.661999"
                                 y3="-4.619836"
                                 z3="0.675313"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.717062"
                                 y3="-2.478972"
                                 z3="-0.317214"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.0599"
                                 y3="-1.615155"
                                 z3="-0.137674"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.43164"
                                 y3="-3.893301"
                                 z3="-2.248854"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.817226"
                                 y3="0.862328"
                                 z3="0.964853"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;15;13;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OOTaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7;s16;;s1s3s8s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95823556</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00487379</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">0.00135909</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">0.00487379</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00135909</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04709630</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">0.00928928</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="-6.65215"
                                 y3="-1.589524"
                                 z3="-3.029162"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.965222"
                                 y3="-3.744089"
                                 z3="-0.419801"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.00602"
                                 y3="-0.092043"
                                 z3="-0.975836"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.426784"
                                 y3="-3.437237"
                                 z3="-2.523073"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.545174"
                                 y3="-2.362144"
                                 z3="1.273379"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.965048"
                                 y3="-3.987536"
                                 z3="-0.593176"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.150226"
                                 y3="-1.054231"
                                 z3="1.58413"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.696585"
                                 y3="1.067231"
                                 z3="-2.293741"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.178457"
                                 y3="-2.732558"
                                 z3="-1.406501"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.142489"
                                 y3="-0.230921"
                                 z3="2.404837"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.657829"
                                 y3="-5.520861"
                                 z3="-1.274976"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.838678"
                                 y3="-4.122888"
                                 z3="-4.132427"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.751592"
                                 y3="-1.626575"
                                 z3="0.11708"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.834653"
                                 y3="-4.918733"
                                 z3="-1.27661"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.584497"
                                 y3="-0.03705"
                                 z3="0.663772"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.445474"
                                 y3="-0.58018"
                                 z3="0.476348"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.406938"
                                 y3="-1.801324"
                                 z3="1.982101"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.360507"
                                 y3="-1.410105"
                                 z3="-1.163427"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.235757"
                                 y3="-6.166731"
                                 z3="1.390028"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.211011"
                                 y3="-0.482761"
                                 z3="-1.554026"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.0417"
                                 y3="-2.486241"
                                 z3="-1.936227"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.045124"
                                 y3="-1.109615"
                                 z3="-0.321683"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.75708"
                                 y3="0.653725"
                                 z3="2.555636"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.999514"
                                 y3="-3.579075"
                                 z3="2.312452"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.221695"
                                 y3="-3.448546"
                                 z3="0.652746"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.792898"
                                 y3="-3.464519"
                                 z3="-0.502447"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.071717"
                                 y3="-1.138183"
                                 z3="3.613414"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.971745"
                                 y3="1.012129"
                                 z3="-0.145644"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.030324"
                                 y3="-5.502214"
                                 z3="-1.964865"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.707121"
                                 y3="-0.933688"
                                 z3="0.01548"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.308671"
                                 y3="-4.003991"
                                 z3="1.24124"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.622453"
                                 y3="-4.919713"
                                 z3="0.388814"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.657776"
                                 y3="-4.626371"
                                 z3="0.67078"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.713027"
                                 y3="-2.478754"
                                 z3="-0.318852"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.050328"
                                 y3="-1.61464"
                                 z3="-0.134247"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.434898"
                                 y3="-3.892625"
                                 z3="-2.254918"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.821808"
                                 y3="0.863821"
                                 z3="0.958886"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO3TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95838981</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00350968</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">0.00109819</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">0.00350968</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00109819</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04152776</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">0.00828131</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="-6.649148"
                                 y3="-1.588446"
                                 z3="-3.027416"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.970276"
                                 y3="-3.75115"
                                 z3="-0.415283"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.002936"
                                 y3="-0.090107"
                                 z3="-0.97242"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.426108"
                                 y3="-3.436906"
                                 z3="-2.527046"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.5403"
                                 y3="-2.360324"
                                 z3="1.27122"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.965903"
                                 y3="-3.984833"
                                 z3="-0.60463"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.145184"
                                 y3="-1.056952"
                                 z3="1.587005"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.697519"
                                 y3="1.073255"
                                 z3="-2.291918"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.154978"
                                 y3="-2.739141"
                                 z3="-1.421191"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.1486"
                                 y3="-0.224083"
                                 z3="2.407583"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.638002"
                                 y3="-5.541227"
                                 z3="-1.233449"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.840591"
                                 y3="-4.117486"
                                 z3="-4.137612"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.75056"
                                 y3="-1.619398"
                                 z3="0.124165"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.832461"
                                 y3="-4.919115"
                                 z3="-1.280727"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.589383"
                                 y3="-0.038125"
                                 z3="0.662512"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.443053"
                                 y3="-0.578343"
                                 z3="0.476142"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.400342"
                                 y3="-1.803318"
                                 z3="1.98455"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.358844"
                                 y3="-1.406495"
                                 z3="-1.163808"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.231131"
                                 y3="-6.171607"
                                 z3="1.387337"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.207405"
                                 y3="-0.477071"
                                 z3="-1.552713"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.038021"
                                 y3="-2.483439"
                                 z3="-1.936146"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.053324"
                                 y3="-1.110872"
                                 z3="-0.338671"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.767557"
                                 y3="0.66124"
                                 z3="2.563959"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.992728"
                                 y3="-3.584323"
                                 z3="2.308981"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.214246"
                                 y3="-3.450804"
                                 z3="0.652773"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.795203"
                                 y3="-3.45919"
                                 z3="-0.507038"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.066516"
                                 y3="-1.144924"
                                 z3="3.616457"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.972918"
                                 y3="1.014505"
                                 z3="-0.145356"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.004434"
                                 y3="-5.517097"
                                 z3="-1.973573"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.69935"
                                 y3="-0.935687"
                                 z3="0.020345"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.314945"
                                 y3="-3.981736"
                                 z3="1.25078"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.618421"
                                 y3="-4.91968"
                                 z3="0.382209"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.652884"
                                 y3="-4.632005"
                                 z3="0.667048"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.708133"
                                 y3="-2.478945"
                                 z3="-0.320049"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.042527"
                                 y3="-1.615891"
                                 z3="-0.132209"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.435131"
                                 y3="-3.892287"
                                 z3="-2.258609"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.826301"
                                 y3="0.863245"
                                 z3="0.956278"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95847678</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00392982</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">0.00105876</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">0.00392982</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00105876</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07808944</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">0.01309749</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="-6.645092"
                                 y3="-1.582318"
                                 z3="-3.025827"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.975557"
                                 y3="-3.759435"
                                 z3="-0.406106"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-7.999947"
                                 y3="-0.088392"
                                 z3="-0.969099"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.422259"
                                 y3="-3.435273"
                                 z3="-2.532784"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.534449"
                                 y3="-2.353318"
                                 z3="1.266743"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.967001"
                                 y3="-3.978377"
                                 z3="-0.619999"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.139023"
                                 y3="-1.06291"
                                 z3="1.592801"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.696588"
                                 y3="1.082111"
                                 z3="-2.288357"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.127419"
                                 y3="-2.748398"
                                 z3="-1.435698"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.154406"
                                 y3="-0.212022"
                                 z3="2.4075"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.609804"
                                 y3="-5.566472"
                                 z3="-1.171209"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.840363"
                                 y3="-4.109518"
                                 z3="-4.144216"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.747659"
                                 y3="-1.608963"
                                 z3="0.134556"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.82848"
                                 y3="-4.921226"
                                 z3="-1.288249"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.595594"
                                 y3="-0.041072"
                                 z3="0.661838"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.439752"
                                 y3="-0.573825"
                                 z3="0.475654"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.391509"
                                 y3="-1.806965"
                                 z3="1.987505"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.358462"
                                 y3="-1.399473"
                                 z3="-1.163798"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.221793"
                                 y3="-6.179186"
                                 z3="1.380422"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.203007"
                                 y3="-0.46904"
                                 z3="-1.549992"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.032494"
                                 y3="-2.480155"
                                 z3="-1.93745"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.063245"
                                 y3="-1.115868"
                                 z3="-0.363186"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.77733"
                                 y3="0.674072"
                                 z3="2.567933"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.983816"
                                 y3="-3.59138"
                                 z3="2.305674"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.204568"
                                 y3="-3.456235"
                                 z3="0.653546"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.796572"
                                 y3="-3.451604"
                                 z3="-0.513493"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.060398"
                                 y3="-1.156468"
                                 z3="3.622093"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.975944"
                                 y3="1.020301"
                                 z3="-0.1472"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.082523"
                                 y3="-5.543626"
                                 z3="-1.990459"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.690809"
                                 y3="-0.943807"
                                 z3="0.02535"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.324335"
                                 y3="-3.952783"
                                 z3="1.266227"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.608882"
                                 y3="-4.917701"
                                 z3="0.374738"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.643579"
                                 y3="-4.639762"
                                 z3="0.661472"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.70011"
                                 y3="-2.479317"
                                 z3="-0.321554"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.0331"
                                 y3="-1.62035"
                                 z3="-0.129571"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.431688"
                                 y3="-3.889715"
                                 z3="-2.263981"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.832688"
                                 y3="0.859707"
                                 z3="0.957656"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/2H2O.2HO.21O.8Ta/h2*1H2;2*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;2*1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1O3OO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;s2;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95859896</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00435743</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">0.00118446</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">0.00435743</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00118446</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10498073</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">0.01381831</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="-6.641273"
                                 y3="-1.57399"
                                 z3="-3.024448"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.976958"
                                 y3="-3.764408"
                                 z3="-0.396022"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-7.998377"
                                 y3="-0.088212"
                                 z3="-0.96707"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.416039"
                                 y3="-3.432943"
                                 z3="-2.537681"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.529569"
                                 y3="-2.344651"
                                 z3="1.262594"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.965911"
                                 y3="-3.970436"
                                 z3="-0.632914"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.134154"
                                 y3="-1.069632"
                                 z3="1.598121"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.694189"
                                 y3="1.090229"
                                 z3="-2.284206"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.10877"
                                 y3="-2.753012"
                                 z3="-1.443087"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.158279"
                                 y3="-0.200715"
                                 z3="2.405258"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.583188"
                                 y3="-5.582811"
                                 z3="-1.116278"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.836599"
                                 y3="-4.10265"
                                 z3="-4.14958"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.743862"
                                 y3="-1.599777"
                                 z3="0.144411"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.823046"
                                 y3="-4.923611"
                                 z3="-1.295582"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.600281"
                                 y3="-0.043941"
                                 z3="0.662343"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.43746"
                                 y3="-0.568125"
                                 z3="0.475475"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.384151"
                                 y3="-1.810352"
                                 z3="1.989344"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.358586"
                                 y3="-1.3921"
                                 z3="-1.163777"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.210529"
                                 y3="-6.18651"
                                 z3="1.372262"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.199496"
                                 y3="-0.462122"
                                 z3="-1.546728"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.02691"
                                 y3="-2.479142"
                                 z3="-1.939266"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.07078"
                                 y3="-1.122602"
                                 z3="-0.383787"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.782617"
                                 y3="0.685915"
                                 z3="2.565791"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.976092"
                                 y3="-3.596472"
                                 z3="2.303296"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.196329"
                                 y3="-3.463132"
                                 z3="0.653781"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.795641"
                                 y3="-3.445194"
                                 z3="-0.518977"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.055863"
                                 y3="-1.166657"
                                 z3="3.627522"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.980005"
                                 y3="1.027025"
                                 z3="-0.151251"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.187504"
                                 y3="-5.573548"
                                 z3="-2.007157"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.685565"
                                 y3="-0.955143"
                                 z3="0.028107"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.330928"
                                 y3="-3.931899"
                                 z3="1.280818"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.59769"
                                 y3="-4.915272"
                                 z3="0.370108"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.633259"
                                 y3="-4.646045"
                                 z3="0.656499"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.692544"
                                 y3="-2.479979"
                                 z3="-0.322791"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.026317"
                                 y3="-1.626556"
                                 z3="-0.127739"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.425402"
                                 y3="-3.885746"
                                 z3="-2.269516"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.838786"
                                 y3="0.855456"
                                 z3="0.961607"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95871351</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00532904</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">0.00136792</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">0.00532904</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00136792</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06657313</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">0.00726817</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="-6.639909"
                                 y3="-1.569616"
                                 z3="-3.024283"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.973987"
                                 y3="-3.764451"
                                 z3="-0.390288"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-7.998967"
                                 y3="-0.089707"
                                 z3="-0.967347"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.411499"
                                 y3="-3.431605"
                                 z3="-2.538631"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.528201"
                                 y3="-2.340084"
                                 z3="1.261417"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.96322"
                                 y3="-3.965633"
                                 z3="-0.635576"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.13336"
                                 y3="-1.072505"
                                 z3="1.599056"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.692102"
                                 y3="1.092325"
                                 z3="-2.282314"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.109754"
                                 y3="-2.750266"
                                 z3="-1.43814"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.15917"
                                 y3="-0.195983"
                                 z3="2.403212"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.574474"
                                 y3="-5.584291"
                                 z3="-1.09918"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.831698"
                                 y3="-4.101387"
                                 z3="-4.150454"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.741385"
                                 y3="-1.597472"
                                 z3="0.148417"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.819138"
                                 y3="-4.924357"
                                 z3="-1.297722"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.600673"
                                 y3="-0.044479"
                                 z3="0.663527"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.437332"
                                 y3="-0.564937"
                                 z3="0.475668"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.382612"
                                 y3="-1.811256"
                                 z3="1.98897"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.358434"
                                 y3="-1.389259"
                                 z3="-1.164034"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.204262"
                                 y3="-6.189015"
                                 z3="1.36838"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.198733"
                                 y3="-0.460616"
                                 z3="-1.545248"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.024562"
                                 y3="-2.48123"
                                 z3="-1.94017"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.070611"
                                 y3="-1.127087"
                                 z3="-0.389068"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.782014"
                                 y3="0.690715"
                                 z3="2.560497"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.974057"
                                 y3="-3.596702"
                                 z3="2.303098"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.194299"
                                 y3="-3.466962"
                                 z3="0.653176"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.793183"
                                 y3="-3.4439"
                                 z3="-0.520206"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.055346"
                                 y3="-1.169233"
                                 z3="3.628951"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.982295"
                                 y3="1.030058"
                                 z3="-0.155015"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.254077"
                                 y3="-5.582982"
                                 z3="-2.020309"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.686524"
                                 y3="-0.962011"
                                 z3="0.02706"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.330382"
                                 y3="-3.933067"
                                 z3="1.286882"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.592137"
                                 y3="-4.914178"
                                 z3="0.371135"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.628398"
                                 y3="-4.646935"
                                 z3="0.655327"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.690203"
                                 y3="-2.480608"
                                 z3="-0.323049"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.026144"
                                 y3="-1.630435"
                                 z3="-0.127862"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.420707"
                                 y3="-3.883235"
                                 z3="-2.271703"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.841065"
                                 y3="0.853623"
                                 z3="0.965304"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95881832</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00502448</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">0.00124936</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">0.00502448</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00124936</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11030775</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">0.01165058</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="-6.639059"
                                 y3="-1.565646"
                                 z3="-3.024577"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.966179"
                                 y3="-3.761229"
                                 z3="-0.381671"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.001131"
                                 y3="-0.094076"
                                 z3="-0.967922"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.40437"
                                 y3="-3.429529"
                                 z3="-2.538131"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.526089"
                                 y3="-2.336829"
                                 z3="1.261523"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.955887"
                                 y3="-3.958079"
                                 z3="-0.634566"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.133545"
                                 y3="-1.075544"
                                 z3="1.596691"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.691154"
                                 y3="1.092719"
                                 z3="-2.280373"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.122264"
                                 y3="-2.742215"
                                 z3="-1.423597"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.16043"
                                 y3="-0.190278"
                                 z3="2.401709"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.570394"
                                 y3="-5.579165"
                                 z3="-1.08759"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.821575"
                                 y3="-4.102233"
                                 z3="-4.150016"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.737546"
                                 y3="-1.596072"
                                 z3="0.15259"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.810397"
                                 y3="-4.92353"
                                 z3="-1.298257"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.597884"
                                 y3="-0.043027"
                                 z3="0.665954"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.437469"
                                 y3="-0.561015"
                                 z3="0.47639"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.382566"
                                 y3="-1.811784"
                                 z3="1.986708"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.356311"
                                 y3="-1.386919"
                                 z3="-1.165488"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.193957"
                                 y3="-6.191416"
                                 z3="1.3635"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.198996"
                                 y3="-0.461068"
                                 z3="-1.54401"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.021924"
                                 y3="-2.487835"
                                 z3="-1.940326"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.065434"
                                 y3="-1.132823"
                                 z3="-0.389767"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.780714"
                                 y3="0.696869"
                                 z3="2.551666"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.972056"
                                 y3="-3.595339"
                                 z3="2.302504"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.19297"
                                 y3="-3.472462"
                                 z3="0.650517"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.786976"
                                 y3="-3.444464"
                                 z3="-0.520713"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.055674"
                                 y3="-1.169127"
                                 z3="3.627933"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.984856"
                                 y3="1.03283"
                                 z3="-0.160739"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.364385"
                                 y3="-5.589566"
                                 z3="-2.041395"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.691435"
                                 y3="-0.970954"
                                 z3="0.024298"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.324701"
                                 y3="-3.945693"
                                 z3="1.293701"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.585337"
                                 y3="-4.913886"
                                 z3="0.374526"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.622091"
                                 y3="-4.645405"
                                 z3="0.654796"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.689174"
                                 y3="-2.481989"
                                 z3="-0.323401"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.029396"
                                 y3="-1.635935"
                                 z3="-0.12902"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.413138"
                                 y3="-3.878903"
                                 z3="-2.274768"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.842469"
                                 y3="0.852857"
                                 z3="0.970804"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95901414</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00388669</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">0.00094886</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">0.00388669</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00094886</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04985370</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">0.00523001</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="-6.639631"
                                 y3="-1.565974"
                                 z3="-3.025148"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.962317"
                                 y3="-3.758975"
                                 z3="-0.378934"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.00218"
                                 y3="-0.096482"
                                 z3="-0.967214"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.402315"
                                 y3="-3.428388"
                                 z3="-2.537592"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.524287"
                                 y3="-2.338498"
                                 z3="1.261744"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.951485"
                                 y3="-3.954748"
                                 z3="-0.634299"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.133518"
                                 y3="-1.076377"
                                 z3="1.593932"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.69394"
                                 y3="1.092474"
                                 z3="-2.280261"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.126435"
                                 y3="-2.736161"
                                 z3="-1.418199"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.161561"
                                 y3="-0.188058"
                                 z3="2.403075"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.565492"
                                 y3="-5.576435"
                                 z3="-1.08293"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.817753"
                                 y3="-4.102625"
                                 z3="-4.149807"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.736671"
                                 y3="-1.5957"
                                 z3="0.154115"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.805291"
                                 y3="-4.921855"
                                 z3="-1.297842"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.595488"
                                 y3="-0.041177"
                                 z3="0.666721"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.437088"
                                 y3="-0.560402"
                                 z3="0.476683"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.382597"
                                 y3="-1.812189"
                                 z3="1.98501"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.354354"
                                 y3="-1.38661"
                                 z3="-1.166952"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.189103"
                                 y3="-6.192097"
                                 z3="1.361615"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.19975"
                                 y3="-0.461926"
                                 z3="-1.544203"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.02155"
                                 y3="-2.490868"
                                 z3="-1.939468"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.062925"
                                 y3="-1.134572"
                                 z3="-0.388211"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.781822"
                                 y3="0.699457"
                                 z3="2.551032"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.9705"
                                 y3="-3.595727"
                                 z3="2.301293"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.192308"
                                 y3="-3.474206"
                                 z3="0.648875"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.783575"
                                 y3="-3.445397"
                                 z3="-0.521626"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.055095"
                                 y3="-1.168026"
                                 z3="3.625352"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.983727"
                                 y3="1.03279"
                                 z3="-0.160914"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.414239"
                                 y3="-5.596434"
                                 z3="-2.046981"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.693762"
                                 y3="-0.972628"
                                 z3="0.02446"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.320517"
                                 y3="-3.948747"
                                 z3="1.295398"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.583208"
                                 y3="-4.914601"
                                 z3="0.374072"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.619727"
                                 y3="-4.644061"
                                 z3="0.654173"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.689543"
                                 y3="-2.482959"
                                 z3="-0.324059"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.031462"
                                 y3="-1.637488"
                                 z3="-0.129375"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.410772"
                                 y3="-3.876857"
                                 z3="-2.276416"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.84229"
                                 y3="0.853768"
                                 z3="0.972363"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95902202</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00321821</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">0.00068933</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">0.00321821</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00068933</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04832311</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">0.00519080</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="-6.639932"
                                 y3="-1.56718"
                                 z3="-3.025846"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.959594"
                                 y3="-3.755335"
                                 z3="-0.376725"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.002621"
                                 y3="-0.098664"
                                 z3="-0.965803"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.400655"
                                 y3="-3.427199"
                                 z3="-2.537211"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.52222"
                                 y3="-2.341763"
                                 z3="1.261307"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.947413"
                                 y3="-3.95307"
                                 z3="-0.635362"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.133374"
                                 y3="-1.077439"
                                 z3="1.590897"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.697798"
                                 y3="1.092607"
                                 z3="-2.277788"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.126256"
                                 y3="-2.729509"
                                 z3="-1.416527"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.161901"
                                 y3="-0.186162"
                                 z3="2.405261"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.557783"
                                 y3="-5.573925"
                                 z3="-1.076669"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.814527"
                                 y3="-4.10209"
                                 z3="-4.149943"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.737135"
                                 y3="-1.594892"
                                 z3="0.15634"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.800454"
                                 y3="-4.920217"
                                 z3="-1.297945"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.593409"
                                 y3="-0.03913"
                                 z3="0.667243"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.437373"
                                 y3="-0.560073"
                                 z3="0.476877"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.382187"
                                 y3="-1.812894"
                                 z3="1.982756"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.352445"
                                 y3="-1.386929"
                                 z3="-1.168063"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.184627"
                                 y3="-6.192338"
                                 z3="1.359874"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.20048"
                                 y3="-0.462929"
                                 z3="-1.544093"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.021487"
                                 y3="-2.492226"
                                 z3="-1.938912"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.062498"
                                 y3="-1.134817"
                                 z3="-0.385977"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.781379"
                                 y3="0.700926"
                                 z3="2.553149"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.968346"
                                 y3="-3.597451"
                                 z3="2.299767"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.191574"
                                 y3="-3.475336"
                                 z3="0.64755"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.779707"
                                 y3="-3.446919"
                                 z3="-0.523123"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.053835"
                                 y3="-1.166707"
                                 z3="3.621292"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.980987"
                                 y3="1.031588"
                                 z3="-0.160939"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.462562"
                                 y3="-5.608235"
                                 z3="-2.047515"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.695406"
                                 y3="-0.972804"
                                 z3="0.025352"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.31508"
                                 y3="-3.945163"
                                 z3="1.296214"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.580988"
                                 y3="-4.915709"
                                 z3="0.371303"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.617483"
                                 y3="-4.642923"
                                 z3="0.652766"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.689623"
                                 y3="-2.484764"
                                 z3="-0.325164"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.03333"
                                 y3="-1.638566"
                                 z3="-0.129709"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.40875"
                                 y3="-3.875749"
                                 z3="-2.277487"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.842698"
                                 y3="0.855226"
                                 z3="0.972334"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95907439</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00211610</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">0.00042502</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">0.00211610</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00042502</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00467942</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">0.00111722</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="-6.640515"
                                 y3="-1.56815"
                                 z3="-3.026552"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.959584"
                                 y3="-3.754232"
                                 z3="-0.376834"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.002626"
                                 y3="-0.098858"
                                 z3="-0.965294"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.401458"
                                 y3="-3.426787"
                                 z3="-2.536997"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.522092"
                                 y3="-2.343879"
                                 z3="1.260742"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.946726"
                                 y3="-3.954227"
                                 z3="-0.63577"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.133606"
                                 y3="-1.077621"
                                 z3="1.590272"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.700211"
                                 y3="1.092574"
                                 z3="-2.277125"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.123988"
                                 y3="-2.728103"
                                 z3="-1.418216"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.161574"
                                 y3="-0.186474"
                                 z3="2.40587"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.554606"
                                 y3="-5.574082"
                                 z3="-1.074726"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.815322"
                                 y3="-4.101572"
                                 z3="-4.149745"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.73788"
                                 y3="-1.595002"
                                 z3="0.156473"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.800383"
                                 y3="-4.91997"
                                 z3="-1.298167"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.592617"
                                 y3="-0.038707"
                                 z3="0.666972"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.437308"
                                 y3="-0.560733"
                                 z3="0.476714"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.382342"
                                 y3="-1.813336"
                                 z3="1.981868"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.352585"
                                 y3="-1.387242"
                                 z3="-1.167962"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.184795"
                                 y3="-6.191503"
                                 z3="1.359836"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.201283"
                                 y3="-0.463666"
                                 z3="-1.544424"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.022542"
                                 y3="-2.491068"
                                 z3="-1.938921"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.062355"
                                 y3="-1.133931"
                                 z3="-0.383899"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.781394"
                                 y3="0.700477"
                                 z3="2.555062"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.967874"
                                 y3="-3.598605"
                                 z3="2.299627"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.192057"
                                 y3="-3.474661"
                                 z3="0.647798"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.778615"
                                 y3="-3.447791"
                                 z3="-0.523752"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.053588"
                                 y3="-1.165988"
                                 z3="3.619419"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.978795"
                                 y3="1.030589"
                                 z3="-0.159994"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.462479"
                                 y3="-5.612459"
                                 z3="-2.045607"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.695736"
                                 y3="-0.970991"
                                 z3="0.026304"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.312478"
                                 y3="-3.940483"
                                 z3="1.295456"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.580944"
                                 y3="-4.916084"
                                 z3="0.369119"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.617743"
                                 y3="-4.642344"
                                 z3="0.652138"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.689882"
                                 y3="-2.48547"
                                 z3="-0.325661"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.034179"
                                 y3="-1.637898"
                                 z3="-0.129628"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.409051"
                                 y3="-3.875974"
                                 z3="-2.277131"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.842172"
                                 y3="0.855493"
                                 z3="0.972213"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95909838</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00157315</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">0.00033856</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">0.00157315</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00033856</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00755308</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">0.00162156</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="-6.641071"
                                 y3="-1.568128"
                                 z3="-3.027147"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.959584"
                                 y3="-3.753543"
                                 z3="-0.376874"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.00264"
                                 y3="-0.09873"
                                 z3="-0.964549"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.40237"
                                 y3="-3.425924"
                                 z3="-2.53714"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.521871"
                                 y3="-2.345567"
                                 z3="1.259671"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.945897"
                                 y3="-3.955438"
                                 z3="-0.637438"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.133546"
                                 y3="-1.078482"
                                 z3="1.590568"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.702763"
                                 y3="1.093345"
                                 z3="-2.2763"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.120099"
                                 y3="-2.727474"
                                 z3="-1.421804"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.161597"
                                 y3="-0.186605"
                                 z3="2.405828"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.549181"
                                 y3="-5.575153"
                                 z3="-1.069437"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.816698"
                                 y3="-4.100117"
                                 z3="-4.149872"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.738321"
                                 y3="-1.594646"
                                 z3="0.156798"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.800758"
                                 y3="-4.92006"
                                 z3="-1.299228"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.59218"
                                 y3="-0.038765"
                                 z3="0.666683"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.437071"
                                 y3="-0.561015"
                                 z3="0.476455"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.38204"
                                 y3="-1.81418"
                                 z3="1.981068"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.353196"
                                 y3="-1.386719"
                                 z3="-1.167676"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.184618"
                                 y3="-6.190921"
                                 z3="1.359139"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.202207"
                                 y3="-0.463864"
                                 z3="-1.5445"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.023684"
                                 y3="-2.489273"
                                 z3="-1.939101"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.06264"
                                 y3="-1.133235"
                                 z3="-0.383056"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.782164"
                                 y3="0.700374"
                                 z3="2.55641"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.966754"
                                 y3="-3.600128"
                                 z3="2.299383"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.192205"
                                 y3="-3.474312"
                                 z3="0.648263"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.777404"
                                 y3="-3.448155"
                                 z3="-0.52492"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.053062"
                                 y3="-1.166133"
                                 z3="3.61809"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.976801"
                                 y3="1.030194"
                                 z3="-0.159272"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.464194"
                                 y3="-5.620012"
                                 z3="-2.040614"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.695789"
                                 y3="-0.969639"
                                 z3="0.02783"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.310004"
                                 y3="-3.933865"
                                 z3="1.295096"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.580171"
                                 y3="-4.916268"
                                 z3="0.366185"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.617512"
                                 y3="-4.642121"
                                 z3="0.651004"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.689671"
                                 y3="-2.486173"
                                 z3="-0.326279"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.03473"
                                 y3="-1.637367"
                                 z3="-0.129204"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.409222"
                                 y3="-3.875794"
                                 z3="-2.277244"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.84189"
                                 y3="0.855132"
                                 z3="0.972664"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-11.95910636</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00116647</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">0.00032235</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">0.00116647</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032235</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00319063</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">0.00090661</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="-6.641466"
                                 y3="-1.567735"
                                 z3="-3.027409"/>
                           <atom elementType="Ta"
                                 id="a2"
                                 x3="-0.958996"
                                 y3="-3.753148"
                                 z3="-0.376802"/>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-8.00287"
                                 y3="-0.098496"
                                 z3="-0.96415"/>
                           <atom elementType="Ta"
                                 id="a4"
                                 x3="-7.403148"
                                 y3="-3.425235"
                                 z3="-2.536973"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-4.522084"
                                 y3="-2.34655"
                                 z3="1.258955"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-2.945047"
                                 y3="-3.957125"
                                 z3="-0.638377"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="-8.133704"
                                 y3="-1.078975"
                                 z3="1.590994"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-5.703901"
                                 y3="1.093603"
                                 z3="-2.275707"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.118865"
                                 y3="-2.727375"
                                 z3="-1.423832"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-3.161795"
                                 y3="-0.187417"
                                 z3="2.405249"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="-0.546109"
                                 y3="-5.575367"
                                 z3="-1.066643"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-7.817835"
                                 y3="-4.099151"
                                 z3="-4.149627"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-1.738596"
                                 y3="-1.595128"
                                 z3="0.156723"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-7.80186"
                                 y3="-4.920226"
                                 z3="-1.299856"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="-5.591912"
                                 y3="-0.038953"
                                 z3="0.666541"/>
                           <atom elementType="Ta"
                                 id="a16"
                                 x3="-3.437254"
                                 y3="-0.561027"
                                 z3="0.476242"/>
                           <atom elementType="Ta"
                                 id="a17"
                                 x3="-6.382086"
                                 y3="-1.814576"
                                 z3="1.980351"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.353929"
                                 y3="-1.386408"
                                 z3="-1.167327"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-8.184992"
                                 y3="-6.190092"
                                 z3="1.358875"/>
                           <atom elementType="Ta"
                                 id="a20"
                                 x3="-6.203011"
                                 y3="-0.464159"
                                 z3="-1.544402"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-9.024679"
                                 y3="-2.488101"
                                 z3="-1.939211"/>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.062682"
                                 y3="-1.13301"
                                 z3="-0.382191"/>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-2.782412"
                                 y3="0.699486"
                                 z3="2.556359"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-6.96624"
                                 y3="-3.600517"
                                 z3="2.299347"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-9.192744"
                                 y3="-3.473916"
                                 z3="0.64868"/>
                           <atom elementType="Ta"
                                 id="a26"
                                 x3="-4.776409"
                                 y3="-3.448664"
                                 z3="-0.525435"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-6.052857"
                                 y3="-1.165927"
                                 z3="3.617259"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-2.975514"
                                 y3="1.029865"
                                 z3="-0.159481"/>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.461609"
                                 y3="-5.622371"
                                 z3="-2.037774"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-10.696329"
                                 y3="-0.96877"
                                 z3="0.028593"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.308071"
                                 y3="-3.930674"
                                 z3="1.295016"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-5.57992"
                                 y3="-4.916488"
                                 z3="0.364831"/>
                           <atom elementType="Ta"
                                 id="a33"
                                 x3="-7.6177"
                                 y3="-4.641594"
                                 z3="0.650453"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-6.689733"
                                 y3="-2.486677"
                                 z3="-0.326586"/>
                           <atom elementType="Ta"
                                 id="a35"
                                 x3="-9.035566"
                                 y3="-1.636889"
                                 z3="-0.128934"/>
                           <atom elementType="O"
                                 id="a36"
                                 x3="-5.409451"
                                 y3="-3.875704"
                                 z3="-2.277344"/>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.841764"
                                 y3="0.854729"
                                 z3="0.973073"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a31" order="S"/>
                           <bond atomRefs2="a3 a35" order="S"/>
                           <bond atomRefs2="a3 a20" order="S"/>
                           <bond atomRefs2="a4 a36" order="S"/>
                           <bond atomRefs2="a4 a14" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a5 a26" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a26" order="S"/>
                           <bond atomRefs2="a7 a35" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a22" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a18" order="S"/>
                           <bond atomRefs2="a16 a28" order="S"/>
                           <bond atomRefs2="a17 a24" order="S"/>
                           <bond atomRefs2="a17 a27" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a19 a33" order="S"/>
                           <bond atomRefs2="a21 a35" order="S"/>
                           <bond atomRefs2="a24 a33" order="S"/>
                           <bond atomRefs2="a25 a35" order="S"/>
                           <bond atomRefs2="a25 a33" order="S"/>
                           <bond atomRefs2="a26 a34" order="S"/>
                           <bond atomRefs2="a26 a36" order="S"/>
                           <bond atomRefs2="a26 a32" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                        </bondArray>
                        <formula concise="H4O25Ta8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1847.568199999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-11.95911228</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00098980</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">0.00026366</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">0.00098980</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00026366</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00233630</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">0.00055320</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">-6</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="37">O Ta O Ta O O O O O O O O O O O Ta Ta O O Ta O H H O O Ta O O H O O O Ta O Ta O H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="37">15.99491400 180.94799600 15.99491400 180.94799600 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 180.94799600 180.94799600 15.99491400 15.99491400 180.94799600 15.99491400 1.00782500 1.00782500 15.99491400 15.99491400 180.94799600 15.99491400 15.99491400 1.00782500 15.99491400 15.99491400 15.99491400 180.94799600 15.99491400 180.94799600 15.99491400 1.00782500</array>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">9936.19</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">208.59</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">10372.49</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">3.257150</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="105">22.455 35.488 51.109 57.880 65.703 79.500 86.937 96.861 99.009 101.715 106.479 115.126 118.378 123.864 126.767 127.708 129.784 131.452 136.464 144.590 152.151 158.225 161.166 175.627 179.239 183.674 185.822 190.377 191.257 196.475 197.565 197.860 207.629 210.470 212.301 213.872 215.830 217.421 218.376 225.979 229.829 234.177 251.659 257.377 259.941 288.320 296.197 299.668 304.427 319.226 327.358 340.202 343.591 345.473 354.142 360.756 368.691 389.814 397.529 403.689 417.332 425.172 436.513 441.766 444.172 463.104 473.435 477.367 481.468 490.523 493.007 494.081 506.246 521.830 524.489 528.944 529.318 559.721 574.093 581.900 593.448 608.357 651.490 664.199 680.537 685.572 698.175 711.249 717.429 731.579 736.239 758.642 790.924 824.074 835.711 838.165 841.441 844.620 857.481 865.571 877.910 3607.645 3664.401 3684.474 3686.907</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="37">O Ta O Ta O O O O O O O O O O O Ta Ta O O Ta O H H O O Ta O O H O O O Ta O Ta O H</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="11655">0.096 -0.062 0.006 0.026 0.063 -0.178 0.051 -0.006 -0.064 0.054 -0.044 0.017 -0.059 -0.004 0.086 -0.005 -0.027 0.136 -0.057 0.047 -0.052 0.111 -0.064 -0.017 -0.137 0.177 -0.238 0.035 -0.149 0.119 0.022 0.133 -0.365 0.097 -0.072 0.017 0.019 0.008 0.029 0.000 -0.013 0.036 -0.007 -0.014 0.032 -0.003 -0.049 0.105 -0.077 0.045 0.021 0.038 -0.051 0.076 -0.096 0.049 0.052 0.066 -0.042 -0.001 0.046 -0.010 -0.057 -0.035 0.026 -0.025 0.039 -0.157 0.155 -0.100 0.053 0.036 -0.045 0.042 -0.042 -0.010 -0.032 0.096 -0.127 0.085 0.015 -0.058 -0.004 0.178 -0.018 0.222 -0.373 0.001 0.049 -0.146 0.224 -0.012 -0.264 -0.046 -0.007 0.105 -0.056 0.027 0.037 -0.003 -0.008 0.018 -0.002 0.026 -0.075 0.037 -0.062 0.086 0.001 0.004 -0.012 0.003 -0.009 -0.002 -0.013 -0.039 -0.005 -0.005 -0.004 -0.014 0.004 -0.007 0.003 0.008 0.006 0.011 -0.002 -0.014 -0.025 0.008 0.005 -0.004 -0.009 0.001 -0.017 0.011 0.192 0.235 -0.170 0.248 -0.018 0.051 0.111 -0.351 0.006 -0.013 0.006 -0.035 -0.076 0.247 0.009 -0.007 0.007 -0.009 0.019 -0.032 -0.007 0.033 0.001 0.007 -0.002 0.000 0.003 0.008 0.008 0.012 -0.002 0.009 -0.004 0.003 -0.008 0.004 -0.010 0.003 0.047 -0.126 0.299 -0.189 0.265 -0.079 0.003 0.003 0.005 0.007 -0.003 0.004 0.004 0.010 0.007 -0.000 -0.011 0.005 0.116 -0.057 -0.137 0.111 0.306 -0.356 0.004 -0.008 0.003 -0.082 -0.329 -0.012 0.008 0.008 0.009 0.008 -0.002 0.005 0.003 0.002 0.004 0.005 -0.004 0.002 0.004 0.002 0.009 -0.025 0.004 -0.004 0.005 0.076 0.063 -0.008 -0.224 -0.075 -0.137 -0.039 0.018 0.109 0.028 -0.001 -0.017 0.097 0.026 0.001 -0.031 0.029 -0.128 -0.022 -0.048 -0.160 0.127 0.154 -0.125 -0.243 -0.203 0.041 0.044 -0.001 -0.069 -0.271 0.051 0.199 0.014 -0.018 0.014 -0.030 -0.023 0.134 0.017 0.006 -0.023 0.078 0.023 0.061 0.025 -0.004 -0.084 0.112 -0.035 -0.024 0.081 0.030 0.179 -0.026 0.015 -0.096 0.082 0.102 0.013 -0.078 -0.043 -0.017 -0.101 -0.122 0.051 0.041 -0.011 0.008 0.079 0.000 0.004 -0.096 -0.019 0.042 0.105 0.052 -0.138 0.190 -0.053 0.044 0.029 -0.012 -0.094 -0.346 0.052 -0.156 -0.230 -0.091 0.068 -0.072 -0.086 0.078 0.079 0.044 0.095 0.004 0.015 -0.008 0.047 0.024 -0.108 -0.122 -0.048 0.089 0.094 0.034 0.009 0.083 0.035 -0.052 -0.026 -0.019 0.032 0.016 0.016 -0.026 -0.023 -0.016 -0.078 -0.025 -0.007 -0.020 0.002 -0.033 0.026 0.085 -0.152 -0.034 0.030 -0.022 -0.014 -0.041 -0.007 0.281 0.024 0.276 0.120 -0.328 0.122 -0.009 0.065 -0.146 -0.117 -0.049 0.013 0.039 -0.023 -0.043 0.004 0.005 0.029 0.002 -0.011 0.026 0.013 -0.107 0.096 -0.011 0.101 -0.027 0.016 0.008 -0.011 0.142 0.049 0.077 -0.026 -0.044 -0.014 -0.066 -0.020 -0.005 0.093 0.037 0.080 0.101 -0.332 0.199 0.047 0.079 0.003 0.038 0.007 0.018 0.020 0.039 -0.116 -0.030 0.155 -0.046 -0.083 0.004 0.286 0.206 0.192 -0.133 -0.050 -0.034 0.005 -0.209 -0.204 0.083 0.056 0.053 -0.036 0.088 0.048 0.033 -0.000 0.023 -0.043 -0.042 -0.012 -0.007 -0.042 -0.004 -0.068 0.038 0.015 -0.019 0.012 -0.056 -0.068 -0.175 -0.094 -0.049 0.084 -0.005 -0.047 -0.022 -0.071 -0.046 0.003 0.052 0.033 -0.095 -0.015 -0.100 0.062 -0.000 0.037 0.054 -0.046 -0.191 -0.334 -0.072 -0.189 -0.037 0.046 0.160 -0.099 -0.140 0.139 -0.055 -0.100 -0.025 -0.138 0.060 0.062 0.058 -0.042 -0.005 -0.044 0.021 0.033 -0.076 0.117 0.163 0.044 0.002 0.095 0.013 0.077 0.034 0.131 -0.036 0.016 0.064 -0.018 -0.123 0.037 -0.037 -0.016 -0.212 -0.041 -0.118 -0.098 0.063 0.211 0.061 -0.012 0.020 0.105 -0.020 -0.005 -0.054 0.110 -0.055 0.007 -0.053 0.122 -0.114 0.144 0.199 -0.206 -0.258 0.135 0.149 -0.008 0.010 -0.153 0.086 -0.032 0.057 0.058 -0.019 0.096 -0.027 0.006 0.002 0.015 -0.022 0.146 -0.013 -0.002 -0.001 0.022 -0.044 -0.109 0.015 -0.003 -0.028 -0.028 -0.027 0.087 -0.047 0.019 -0.018 -0.013 -0.020 -0.082 0.015 -0.001 0.003 -0.015 0.003 0.073 -0.105 0.073 -0.014 0.026 -0.008 0.023 -0.076 0.019 -0.267 0.064 -0.217 -0.212 0.248 0.050 0.251 -0.053 0.157 -0.122 0.020 0.007 -0.029 -0.049 0.265 -0.027 0.005 -0.020 -0.032 -0.016 -0.026 -0.031 -0.011 0.080 -0.003 0.009 -0.032 0.016 -0.048 0.019 0.051 0.045 -0.021 -0.017 -0.073 0.002 -0.056 0.022 0.013 -0.085 -0.061 0.181 -0.270 0.283 -0.015 -0.006 0.020 -0.009 -0.004 0.033 -0.008 0.074 -0.006 -0.069 -0.002 0.005 -0.031 0.038 -0.094 -0.087 -0.099 -0.197 0.133 -0.044 0.052 0.049 0.394 0.177 -0.072 0.009 0.041 -0.035 0.026 0.051 -0.030 0.005 -0.004 -0.017 -0.051 0.041 0.026 -0.020 -0.001 -0.018 -0.050 -0.020 -0.028 0.012 -0.003 0.002 -0.002 0.055 0.031 0.001 -0.006 -0.017 -0.007 0.001 -0.030 -0.019 0.020 0.026 -0.034 0.129 0.102 0.009 0.016 -0.004 -0.016 0.025 -0.027 0.001 -0.091 -0.098 -0.116 0.103 -0.020 -0.336 -0.016 -0.011 -0.022 0.009 -0.029 0.093 -0.047 0.138 0.009 0.009 -0.007 0.008 0.003 -0.031 0.021 -0.081 -0.008 0.001 0.033 0.041 0.001 -0.006 -0.012 0.041 -0.016 0.001 0.000 0.029 -0.009 0.003 -0.007 -0.013 0.118 0.092 0.294 -0.122 0.117 -0.086 0.007 0.023 -0.004 0.022 -0.015 0.002 -0.059 0.016 -0.015 -0.039 0.011 0.057 0.089 -0.127 -0.081 -0.707 -0.079 -0.041 0.019 -0.043 0.006 0.228 -0.054 -0.064 0.005 -0.014 0.007 0.031 -0.014 -0.001 -0.003 0.000 -0.007 0.023 -0.029 0.001 -0.003 -0.021 -0.022 0.046 0.010 -0.023 0.014 0.059 0.068 0.030 -0.023 0.002 0.017 0.052 -0.038 0.048 0.026 0.194 0.012 -0.063 -0.071 0.024 -0.012 -0.037 -0.009 -0.005 -0.031 -0.127 0.241 -0.329 -0.062 0.012 -0.046 -0.265 -0.103 0.091 0.075 -0.029 0.049 0.056 0.020 0.194 -0.053 -0.048 0.109 0.014 -0.032 0.110 -0.084 0.010 -0.134 -0.093 -0.093 0.060 -0.020 -0.085 -0.174 -0.071 0.077 -0.043 -0.009 -0.064 0.159 0.029 0.290 -0.129 -0.017 0.014 0.033 -0.053 0.018 0.166 -0.325 -0.082 0.114 0.027 -0.068 0.049 0.044 -0.011 0.037 0.008 -0.041 -0.068 0.060 0.034 -0.241 -0.079 -0.043 0.166 -0.061 -0.084 0.040 0.025 0.004 0.001 0.114 0.032 -0.022 0.018 -0.023 -0.028 -0.002 -0.078 0.127 -0.004 -0.063 -0.010 0.025 0.008 -0.012 0.056 -0.024 -0.059 -0.060 -0.050 0.062 0.001 0.037 -0.063 0.071 -0.066 -0.015 -0.020 0.045 -0.012 0.070 0.037 -0.005 -0.079 -0.005 0.011 0.039 -0.051 0.043 0.011 0.022 0.072 -0.057 0.030 -0.059 0.081 0.008 0.073 -0.192 -0.094 -0.068 0.205 -0.018 -0.035 0.093 0.049 -0.020 -0.096 0.001 -0.108 0.034 0.014 -0.033 -0.147 -0.084 -0.010 -0.162 -0.100 -0.091 -0.023 0.050 0.186 -0.098 -0.065 -0.071 0.065 0.087 -0.047 -0.056 0.036 -0.058 0.052 0.018 0.013 -0.095 0.007 -0.100 -0.318 -0.039 -0.077 0.015 0.032 0.037 0.010 0.031 0.016 0.023 -0.052 0.014 -0.093 -0.056 0.239 -0.365 -0.007 -0.024 0.510 0.057 -0.011 0.066 0.016 0.025 -0.016 -0.004 0.021 0.045 -0.035 0.023 0.052 0.093 -0.052 -0.041 -0.079 -0.028 0.064 0.013 0.023 0.054 -0.022 -0.001 -0.085 -0.047 -0.068 0.074 0.024 0.041 -0.152 0.047 0.019 0.024 -0.047 0.024 0.042 0.049 -0.035 0.028 -0.050 -0.031 -0.055 -0.164 -0.038 0.029 -0.018 -0.036 0.037 0.047 0.145 -0.396 0.272 -0.042 -0.045 0.025 -0.023 0.297 0.136 0.057 0.042 0.080 -0.048 -0.021 -0.007 0.078 0.024 0.070 0.014 -0.010 -0.036 0.001 0.009 -0.080 -0.014 0.066 0.080 -0.029 0.009 -0.077 -0.006 0.058 0.040 0.063 0.048 0.015 0.079 0.015 0.009 -0.029 -0.119 -0.261 -0.280 -0.103 0.054 -0.051 0.079 0.058 -0.017 0.004 -0.014 0.029 -0.050 -0.105 -0.039 0.055 0.136 -0.051 -0.060 -0.092 -0.106 0.310 0.134 0.058 -0.020 -0.072 -0.019 -0.195 0.185 0.053 0.019 -0.097 -0.003 0.048 0.032 0.036 0.032 -0.063 -0.014 -0.016 -0.060 -0.014 0.021 -0.078 -0.052 0.002 -0.033 0.001 0.028 0.003 -0.127 -0.000 -0.021 0.038 0.107 -0.131 -0.026 -0.094 0.151 0.002 -0.056 0.052 0.001 -0.015 -0.087 0.205 -0.111 0.135 0.071 0.062 -0.040 -0.180 -0.099 0.084 0.028 0.131 -0.172 -0.008 0.081 0.066 -0.131 -0.128 0.192 -0.005 -0.006 0.013 -0.052 -0.004 0.011 -0.052 0.013 0.036 -0.064 0.014 0.020 -0.028 -0.103 0.104 -0.070 0.042 -0.021 -0.025 0.123 -0.170 -0.135 0.100 -0.028 -0.130 -0.063 0.043 0.045 -0.045 -0.127 -0.228 0.180 -0.203 0.053 -0.038 0.076 -0.097 0.058 -0.071 0.009 -0.012 -0.039 0.148 -0.068 0.147 -0.092 -0.040 0.071 0.064 0.184 0.193 -0.128 0.006 -0.066 0.178 0.079 -0.047 0.003 0.032 -0.111 0.088 0.082 -0.135 -0.096 -0.015 0.002 0.036 0.007 -0.057 0.149 -0.066 0.049 0.151 0.013 0.060 -0.133 0.040 -0.025 0.104 0.012 0.009 -0.057 0.074 0.001 0.013 -0.089 0.008 0.045 -0.048 0.045 0.029 0.019 0.087 -0.161 -0.081 -0.005 0.013 0.124 -0.010 -0.003 0.149 -0.038 0.037 0.018 0.311 -0.085 0.110 -0.044 0.149 -0.094 0.033 0.036 0.047 0.048 -0.041 -0.011 -0.020 0.017 -0.011 -0.026 -0.008 0.025 -0.030 -0.019 -0.132 -0.042 0.048 0.025 -0.067 -0.012 0.088 -0.048 0.008 0.114 0.025 0.058 -0.077 0.036 -0.059 0.050 0.091 0.003 -0.052 0.361 -0.213 -0.059 -0.046 0.086 0.073 0.006 -0.061 -0.004 0.023 -0.019 -0.150 -0.015 0.043 -0.105 -0.098 -0.275 0.398 -0.111 0.177 0.010 0.037 -0.109 -0.243 0.114 0.049 0.050 0.006 0.053 0.076 -0.036 0.021 -0.022 -0.034 0.047 0.008 0.023 -0.070 -0.063 -0.037 0.042 0.007 -0.004 -0.058 -0.048 -0.007 0.038 0.031 -0.033 0.040 -0.029 0.037 -0.017 -0.049 -0.046 -0.014 -0.029 0.045 -0.000 0.005 -0.007 0.168 0.008 0.001 0.000 -0.078 0.038 -0.083 -0.204 0.197 0.012 0.104 -0.120 -0.010 0.376 0.100 -0.065 -0.054 -0.049 -0.011 0.097 0.057 0.029 -0.047 -0.032 -0.007 0.018 0.001 -0.009 0.105 -0.034 -0.028 -0.008 0.007 0.053 0.013 0.023 -0.024 -0.055 -0.040 0.005 -0.034 0.058 -0.006 -0.030 -0.027 -0.024 0.018 -0.203 -0.306 0.097 -0.124 0.031 -0.042 0.001 -0.016 -0.030 -0.023 -0.008 -0.036 0.084 -0.024 -0.048 -0.052 0.086 -0.018 0.018 0.017 0.586 0.218 -0.052 0.055 -0.029 -0.016 0.098 0.080 0.026 -0.061 0.080 -0.030 -0.061 -0.038 0.003 -0.036 0.032 -0.026 0.053 -0.027 -0.024 -0.020 0.014 -0.015 0.041 0.011 -0.021 0.012 -0.031 0.009 0.030 -0.007 -0.059 -0.002 -0.054 0.001 0.004 -0.026 -0.012 0.044 -0.008 0.017 0.031 0.171 -0.138 0.001 -0.013 0.007 -0.084 0.011 -0.096 0.141 -0.044 0.024 -0.292 0.136 0.060 0.094 -0.068 0.162 -0.002 -0.003 -0.021 0.124 0.124 0.103 -0.023 -0.043 -0.026 -0.043 -0.029 -0.017 0.062 -0.011 0.034 0.044 0.053 -0.008 0.002 0.061 0.041 -0.068 0.025 -0.016 0.010 0.017 -0.022 0.012 -0.035 0.037 0.179 0.184 0.231 -0.465 0.212 0.051 0.031 0.032 -0.091 -0.052 -0.022 0.013 -0.044 -0.026 0.040 -0.035 -0.036 0.042 -0.041 0.043 0.093 0.359 -0.151 0.189 -0.023 -0.012 0.047 -0.195 0.099 0.036 0.010 -0.064 -0.011 -0.047 0.004 -0.046 0.015 -0.061 0.002 -0.028 -0.020 0.043 -0.010 -0.023 0.017 -0.055 -0.049 0.032 -0.032 -0.025 0.035 -0.008 0.028 -0.015 0.005 0.012 0.044 -0.004 -0.061 -0.101 0.067 -0.023 0.079 -0.017 -0.082 -0.039 -0.032 0.026 0.069 -0.124 0.023 -0.177 0.058 -0.003 0.018 0.335 0.186 -0.023 0.070 0.013 0.046 0.004 -0.059 -0.103 -0.081 -0.135 -0.103 -0.003 0.015 -0.026 0.048 0.038 0.002 -0.010 -0.066 0.082 -0.032 -0.051 -0.044 -0.111 -0.041 0.054 0.031 0.069 -0.075 -0.036 0.070 -0.033 0.064 -0.031 0.036 -0.114 -0.049 -0.070 0.460 0.157 -0.176 -0.058 -0.001 0.103 -0.070 -0.003 0.052 0.027 0.019 0.071 0.154 0.125 -0.145 0.090 -0.223 -0.242 0.177 -0.006 0.057 0.038 -0.026 0.029 -0.091 0.060 0.018 0.002 0.039 0.077 0.000 0.100 -0.032 -0.045 -0.019 0.202 0.038 -0.035 0.071 -0.048 0.016 0.079 0.066 0.007 0.104 0.049 -0.089 0.066 -0.106 0.016 0.041 -0.018 -0.009 0.001 0.074 -0.114 0.127 0.027 0.030 0.020 -0.013 0.032 0.096 -0.027 -0.024 0.005 -0.106 -0.055 -0.220 -0.269 0.121 -0.053 0.094 -0.079 -0.027 -0.101 0.078 -0.108 0.081 -0.067 0.106 0.124 0.084 0.022 0.059 -0.211 -0.080 -0.013 -0.076 -0.044 0.090 -0.059 -0.030 -0.010 -0.070 0.013 0.032 0.002 -0.032 0.141 0.051 -0.136 0.004 0.008 -0.030 0.076 -0.026 0.121 0.014 -0.182 -0.358 0.028 -0.053 -0.009 0.053 -0.056 -0.027 0.079 0.063 -0.085 -0.002 0.052 0.015 -0.040 -0.138 0.044 -0.144 0.014 -0.014 -0.241 0.146 -0.124 -0.174 0.159 0.046 -0.049 -0.034 0.021 0.092 -0.020 -0.015 0.113 0.049 -0.161 0.039 -0.131 0.004 -0.168 0.158 0.053 0.081 -0.063 0.009 -0.026 -0.079 -0.046 0.005 -0.052 0.176 0.053 -0.048 0.046 0.044 -0.065 0.044 -0.136 -0.056 -0.079 -0.004 0.007 -0.031 0.016 0.048 0.174 0.011 -0.141 -0.042 -0.092 0.069 -0.141 -0.025 -0.018 0.004 -0.034 -0.158 0.028 -0.102 0.010 -0.168 -0.179 0.010 -0.097 0.042 0.153 -0.013 -0.043 0.015 -0.021 -0.032 0.030 -0.021 0.007 0.123 -0.029 0.043 -0.076 0.008 0.003 0.070 0.029 0.101 0.155 0.027 0.088 0.114 0.055 -0.095 -0.025 -0.072 0.037 0.034 -0.124 -0.120 -0.143 0.159 0.073 -0.065 0.110 -0.039 -0.008 -0.009 -0.060 -0.127 0.046 0.032 0.040 -0.028 -0.185 0.268 0.203 -0.176 0.132 -0.181 -0.034 -0.022 -0.086 0.248 -0.132 -0.036 0.074 -0.162 0.033 0.082 0.150 0.001 -0.016 -0.199 0.132 -0.048 -0.060 -0.068 -0.079 -0.066 0.036 -0.082 -0.001 0.032 0.062 -0.024 0.012 0.028 -0.031 0.021 0.029 -0.058 0.018 0.040 0.011 0.002 0.035 0.097 0.009 0.008 0.065 0.147 -0.021 -0.024 0.020 -0.030 -0.008 -0.024 0.027 -0.034 0.019 0.282 0.266 -0.049 -0.113 0.004 -0.126 0.021 0.044 -0.007 0.057 0.159 -0.071 0.007 -0.001 0.000 -0.063 -0.046 0.045 -0.018 0.003 0.044 0.023 0.025 -0.023 -0.005 -0.048 -0.012 -0.074 -0.019 0.000 0.049 -0.013 0.017 0.035 -0.014 0.024 -0.028 0.046 -0.276 0.038 0.389 -0.173 0.000 0.015 -0.038 -0.053 -0.025 0.013 -0.028 0.012 -0.071 0.087 0.040 -0.042 -0.559 0.070 -0.174 0.013 0.124 -0.120 -0.013 -0.003 0.010 0.075 -0.086 -0.003 -0.033 0.045 -0.007 -0.061 -0.020 0.004 0.019 -0.023 -0.022 -0.017 -0.018 0.037 0.054 -0.072 -0.057 -0.067 -0.022 -0.029 -0.024 -0.032 0.158 -0.005 -0.020 0.007 -0.052 0.195 0.056 -0.025 -0.125 -0.091 0.031 -0.003 -0.027 0.003 0.048 0.031 -0.043 0.145 0.068 0.037 -0.008 0.189 -0.045 0.005 -0.004 -0.291 -0.057 -0.001 -0.056 -0.003 -0.039 -0.066 -0.096 -0.093 0.051 0.120 0.050 0.042 -0.077 -0.031 -0.111 -0.038 -0.028 -0.050 -0.035 -0.050 -0.037 0.046 -0.144 0.004 -0.014 -0.003 0.002 -0.066 -0.006 -0.057 0.012 0.163 0.123 0.002 0.044 0.047 0.054 -0.012 -0.486 0.022 0.028 0.035 0.023 -0.067 0.164 0.051 -0.032 0.005 0.009 0.057 0.042 0.116 -0.185 -0.327 0.117 0.119 -0.038 0.031 -0.040 0.130 0.093 0.022 0.018 -0.030 -0.004 0.032 -0.033 0.017 0.046 -0.086 -0.019 0.033 0.100 0.108 0.154 0.149 0.042 -0.038 -0.001 0.054 -0.075 -0.038 -0.001 -0.024 -0.003 0.153 0.003 0.019 0.002 -0.009 0.055 0.049 -0.053 -0.097 0.157 -0.042 0.015 -0.037 -0.014 -0.148 -0.048 0.017 0.062 -0.018 -0.021 0.086 0.070 0.062 -0.039 0.013 0.255 0.056 0.003 -0.067 -0.008 0.004 0.015 0.003 0.098 -0.159 -0.152 -0.091 -0.131 -0.238 -0.102 0.043 0.127 0.108 -0.037 0.061 0.050 0.022 0.151 0.026 -0.074 0.009 0.070 -0.004 0.011 -0.060 -0.009 0.075 0.064 -0.063 -0.040 -0.023 -0.129 -0.033 0.051 0.421 -0.011 -0.022 0.025 0.109 -0.198 -0.021 -0.042 -0.076 0.031 -0.100 -0.044 0.001 0.060 0.069 0.209 -0.079 -0.126 -0.280 -0.058 -0.013 0.078 -0.036 -0.036 0.057 -0.028 -0.027 -0.027 -0.097 -0.113 -0.033 -0.031 -0.176 -0.096 -0.112 -0.091 0.077 -0.032 -0.043 -0.013 -0.093 -0.007 0.008 0.121 0.099 0.141 -0.081 0.080 -0.019 0.009 0.001 0.116 -0.103 0.075 0.061 -0.067 0.000 -0.121 0.063 -0.106 0.009 -0.030 -0.079 -0.113 0.062 0.114 0.156 -0.003 0.035 -0.039 0.022 -0.008 -0.256 -0.199 -0.011 -0.052 -0.008 0.023 0.003 -0.040 -0.001 -0.014 -0.023 0.051 -0.036 -0.039 0.013 0.013 0.052 -0.131 -0.002 0.038 -0.078 -0.134 -0.008 -0.011 0.113 -0.031 -0.097 0.030 0.072 -0.002 0.125 0.008 0.049 0.098 -0.061 0.109 0.035 -0.026 0.107 -0.181 -0.253 0.128 -0.160 0.047 0.066 -0.169 -0.045 0.119 0.046 0.042 -0.129 -0.131 0.038 -0.033 0.169 0.073 0.125 -0.336 -0.084 0.001 0.046 -0.042 0.090 0.011 -0.025 -0.014 -0.035 0.163 -0.004 -0.084 0.100 -0.023 -0.050 -0.033 0.019 0.031 -0.093 0.159 0.026 -0.122 -0.075 0.014 0.091 -0.244 -0.147 0.074 -0.029 -0.044 0.016 0.010 0.035 -0.000 0.080 -0.047 0.033 0.066 0.057 -0.045 -0.040 0.035 -0.001 -0.116 -0.035 -0.097 0.074 -0.021 -0.007 0.033 -0.105 0.061 -0.021 -0.093 0.005 -0.011 -0.154 0.001 0.004 0.049 -0.019 0.064 0.100 0.079 0.075 -0.038 0.005 -0.010 -0.031 -0.126 0.044 0.038 -0.039 -0.013 -0.006 -0.005 -0.036 0.011 -0.001 -0.011 0.015 0.061 -0.007 -0.006 -0.034 -0.016 -0.099 -0.008 -0.037 0.046 -0.077 -0.135 -0.311 0.092 0.026 0.060 -0.034 -0.044 -0.076 -0.038 0.008 0.093 0.032 0.059 0.070 -0.124 -0.005 -0.273 0.045 -0.010 -0.651 -0.103 -0.035 0.093 -0.012 -0.072 -0.033 -0.066 -0.002 0.007 0.025 -0.070 -0.032 0.072 -0.021 -0.075 0.007 0.017 0.068 -0.072 -0.046 -0.025 0.188 0.049 -0.021 -0.122 0.041 0.215 -0.157 0.060 -0.023 0.008 -0.009 -0.128 -0.000 -0.337 -0.031 0.050 0.040 0.018 0.028 0.102 -0.002 -0.050 0.093 0.174 0.168 -0.240 0.138 -0.157 -0.166 0.030 -0.050 -0.015 -0.132 -0.008 0.016 -0.084 0.002 -0.027 0.004 0.108 0.008 0.029 0.050 -0.055 -0.024 -0.019 0.012 -0.013 0.023 -0.185 0.004 -0.012 0.004 0.071 -0.053 0.005 0.017 -0.125 0.062 0.011 -0.027 -0.106 -0.050 0.008 0.050 -0.056 -0.017 -0.061 0.021 0.055 -0.058 -0.194 0.017 0.029 -0.214 0.089 0.101 -0.030 0.012 -0.027 0.040 0.032 -0.001 -0.043 0.214 -0.075 -0.078 0.034 0.065 0.225 0.082 -0.003 0.029 -0.073 0.157 -0.101 0.015 0.021 -0.016 0.158 0.233 -0.007 0.007 -0.045 -0.031 0.003 -0.010 0.024 -0.040 -0.021 -0.020 -0.225 0.132 -0.002 0.002 -0.115 0.014 -0.036 0.012 -0.002 0.003 -0.005 -0.033 0.033 -0.009 0.017 0.024 -0.016 -0.036 0.002 -0.018 0.030 0.024 -0.149 -0.010 0.041 -0.001 -0.175 -0.078 -0.220 -0.051 0.115 0.041 0.105 -0.019 0.008 -0.013 -0.031 0.093 0.032 0.080 -0.046 0.048 0.026 0.097 0.020 0.017 0.012 0.001 0.025 0.006 0.047 0.028 0.007 -0.044 -0.003 0.017 -0.000 0.019 0.023 -0.058 0.010 0.016 -0.046 -0.009 0.008 0.016 0.015 -0.001 0.031 -0.099 -0.039 0.079 -0.013 0.038 -0.031 -0.003 0.032 0.029 0.016 0.008 0.018 -0.065 -0.028 -0.100 0.040 0.012 -0.053 0.046 -0.016 -0.816 -0.281 0.033 0.025 0.004 0.034 0.005 -0.074 -0.021 0.029 -0.033 0.027 0.003 -0.009 0.020 -0.001 -0.024 -0.016 0.028 0.021 0.004 0.012 -0.055 -0.012 -0.011 0.016 0.022 0.011 -0.012 -0.001 -0.015 0.006 0.011 -0.014 0.021 -0.002 0.006 0.011 0.001 -0.020 0.015 -0.013 -0.014 -0.066 0.132 -0.014 0.055 0.013 -0.053 -0.035 -0.067 0.027 -0.135 -0.073 -0.058 0.072 0.016 -0.063 0.042 -0.121 -0.005 0.064 -0.019 0.025 0.029 -0.096 -0.000 0.005 -0.000 0.007 0.028 0.005 0.030 0.009 0.019 -0.030 0.004 -0.028 -0.010 0.003 0.026 0.074 0.042 0.120 -0.029 -0.009 0.003 0.015 0.016 -0.004 0.009 0.088 -0.060 -0.075 0.081 0.005 -0.017 0.007 -0.042 -0.002 0.010 0.009 0.008 -0.032 -0.019 -0.041 -0.269 0.080 0.040 0.000 0.007 0.795 0.332 -0.058 0.018 -0.013 -0.029 -0.039 0.065 0.032 -0.001 -0.011 -0.009 0.013 0.017 0.013 -0.024 -0.011 -0.016 0.025 -0.000 0.007 0.025 -0.018 -0.018 0.001 0.031 -0.008 0.080 -0.040 0.037 0.010 -0.002 -0.010 -0.012 0.017 -0.058 -0.004 -0.012 -0.017 0.011 0.006 0.005 0.004 0.011 -0.075 0.025 0.098 -0.015 0.155 -0.062 -0.074 -0.008 0.111 0.070 0.064 -0.060 -0.008 0.044 -0.033 0.095 -0.038 0.126 -0.066 -0.045 -0.040 0.025 -0.058 -0.015 -0.002 0.012 0.038 0.025 -0.030 -0.010 -0.010 0.015 0.020 -0.020 -0.002 -0.025 0.003 0.024 0.063 0.184 0.012 0.022 0.012 0.026 0.021 0.001 -0.035 -0.088 -0.010 0.095 -0.073 -0.007 -0.044 0.047 -0.073 0.006 0.026 0.005 0.004 0.031 0.024 0.136 -0.384 0.117 -0.044 -0.007 -0.017 -0.685 -0.277 0.042 -0.091 -0.149 -0.067 0.025 -0.055 -0.029 -0.006 0.033 0.049 0.002 -0.011 0.002 0.013 0.032 0.005 -0.027 -0.007 0.003 -0.043 -0.079 0.056 0.037 0.054 -0.000 0.172 -0.005 -0.118 -0.001 -0.000 -0.006 -0.053 -0.099 -0.188 -0.011 -0.004 -0.009 -0.010 0.001 0.030 0.015 0.010 -0.029 0.046 0.124 -0.089 -0.165 0.337 0.514 -0.019 0.066 0.028 0.092 0.022 0.003 -0.013 -0.018 0.046 -0.167 -0.200 0.114 0.034 0.034 0.021 0.054 0.012 0.021 -0.016 -0.046 0.017 0.026 0.008 0.009 -0.008 -0.011 -0.015 0.005 -0.005 0.011 0.073 -0.030 -0.041 -0.014 0.021 -0.051 0.025 -0.012 -0.028 0.007 -0.049 -0.089 0.065 0.036 -0.011 -0.166 0.051 0.003 -0.031 -0.001 -0.037 0.007 -0.035 0.001 -0.099 -0.186 0.071 -0.068 0.023 -0.009 -0.400 -0.146 0.017 0.055 0.108 0.042 -0.021 -0.036 -0.006 0.031 0.045 0.152 0.010 0.014 0.006 0.010 -0.004 -0.041 0.011 0.002 0.018 -0.007 -0.130 0.045 -0.026 -0.028 -0.045 0.059 -0.051 0.010 -0.004 0.003 -0.006 0.032 -0.033 0.065 0.028 0.013 0.011 0.008 0.017 -0.011 -0.000 -0.020 0.018 -0.039 -0.029 0.064 -0.249 0.008 -0.090 0.010 0.004 0.006 -0.060 -0.029 0.005 -0.002 -0.009 0.021 -0.424 0.216 0.041 -0.011 -0.021 0.018 0.014 -0.005 0.017 -0.000 0.016 -0.044 -0.007 -0.005 -0.005 0.020 0.007 0.021 0.019 0.011 -0.026 0.300 -0.185 -0.114 -0.010 -0.021 0.014 0.095 0.008 0.066 0.015 0.006 0.073 -0.041 -0.038 0.010 -0.038 0.028 0.029 -0.086 -0.044 0.025 0.010 0.008 0.006 0.215 0.070 -0.046 0.042 0.007 0.050 -0.022 -0.035 0.021 0.024 0.198 -0.612 -0.021 -0.001 -0.001 -0.001 0.072 0.070 -0.030 -0.015 -0.005 0.014 0.004 0.025 0.001 -0.001 0.001 0.007 -0.090 0.010 0.007 0.017 -0.041 0.016 0.017 -0.034 -0.014 0.003 0.008 -0.019 0.053 -0.002 0.015 -0.004 0.007 0.016 -0.005 0.007 0.018 -0.021 -0.010 -0.030 0.011 0.041 0.094 0.010 0.044 -0.030 -0.046 -0.053 -0.008 0.050 -0.001 -0.041 0.018 -0.051 -0.464 -0.011 0.132 0.032 0.022 -0.003 0.077 0.011 0.007 -0.006 -0.019 -0.000 0.014 -0.001 0.001 -0.015 -0.001 0.019 0.017 0.009 -0.004 -0.497 0.128 -0.149 -0.010 0.014 -0.020 0.092 0.016 0.050 0.010 0.018 -0.032 -0.030 0.066 -0.039 0.043 -0.025 0.031 0.108 0.043 -0.019 0.037 -0.015 -0.004 0.021 0.054 -0.011 -0.008 0.021 0.036 0.218 0.125 -0.033 -0.209 -0.506 -0.142 -0.028 0.009 0.020 0.036 -0.027 -0.000 0.018 0.007 -0.004 0.057 0.030 0.009 0.014 0.009 0.006 0.038 0.008 -0.028 0.007 -0.018 0.005 -0.039 -0.020 0.032 0.001 -0.000 -0.003 -0.004 0.008 0.003 -0.006 0.037 -0.004 -0.046 0.050 -0.058 -0.009 0.006 0.005 0.006 0.103 0.034 -0.023 -0.104 -0.203 0.011 -0.006 0.004 -0.010 -0.006 0.003 0.021 -0.003 0.013 0.155 -0.535 0.191 0.000 -0.007 0.035 0.067 0.126 0.063 0.010 0.093 -0.026 -0.006 -0.001 -0.001 -0.017 0.034 -0.003 0.011 0.015 -0.019 -0.039 -0.203 -0.488 0.010 0.004 0.044 -0.064 -0.005 -0.025 0.030 0.022 0.100 0.022 -0.016 -0.017 -0.060 0.034 0.014 0.002 0.034 0.041 -0.019 -0.024 -0.018 0.351 -0.266 0.040 0.009 0.018 0.046 0.067 -0.005 0.017 -0.010 -0.019 -0.019 0.007 0.003 -0.006 0.021 0.020 0.079 0.013 0.011 0.014 -0.009 0.039 0.008 -0.008 -0.005 -0.009 -0.000 -0.001 0.003 0.036 0.109 -0.051 -0.057 0.058 -0.021 0.005 -0.001 -0.001 0.012 0.146 0.052 0.029 -0.009 -0.009 0.026 -0.067 0.070 0.001 -0.015 0.003 -0.013 -0.062 -0.031 0.509 -0.165 -0.072 -0.002 0.050 0.035 0.034 0.044 -0.001 -0.004 -0.007 0.021 -0.243 -0.152 0.118 0.012 0.030 -0.047 -0.009 0.066 0.008 0.001 -0.032 0.104 0.022 0.012 0.002 0.020 0.004 -0.019 -0.073 -0.033 0.103 0.328 -0.182 -0.130 -0.047 0.040 -0.015 0.069 0.085 0.014 -0.011 -0.046 -0.145 -0.034 0.073 -0.002 -0.002 -0.018 -0.040 -0.089 -0.043 -0.006 -0.006 -0.031 0.001 -0.359 0.009 0.056 -0.062 0.010 -0.044 -0.326 -0.099 -0.003 0.002 0.018 -0.005 0.006 -0.024 -0.008 -0.032 -0.037 -0.082 -0.020 0.016 0.021 -0.010 -0.002 0.006 -0.008 -0.007 0.016 0.029 0.057 -0.057 -0.006 -0.055 0.165 0.029 0.020 -0.068 0.034 -0.024 -0.017 -0.028 0.068 -0.013 0.030 0.018 0.076 -0.142 -0.061 -0.045 -0.036 0.263 0.062 -0.035 0.056 0.040 0.252 -0.055 0.200 0.017 0.069 0.068 0.095 -0.057 -0.003 0.077 -0.032 0.070 0.114 0.116 0.016 0.082 0.110 0.188 -0.038 -0.033 -0.023 -0.059 -0.084 0.001 0.026 0.031 0.006 -0.046 -0.042 -0.028 -0.085 -0.034 0.063 0.140 0.066 0.044 -0.064 -0.049 -0.023 0.042 0.059 -0.018 0.113 0.101 0.221 0.236 -0.122 0.025 -0.078 -0.007 0.066 0.003 0.006 -0.025 -0.146 -0.008 -0.011 0.390 0.089 -0.180 0.053 -0.006 -0.030 0.194 -0.092 0.083 -0.013 -0.196 -0.100 0.021 0.045 -0.011 -0.020 -0.064 -0.004 0.040 0.063 -0.031 -0.149 -0.098 -0.057 0.069 -0.005 0.008 0.001 -0.031 -0.044 -0.189 -0.124 0.009 -0.010 -0.028 0.036 0.021 -0.014 -0.026 0.024 -0.052 0.026 0.042 0.028 0.038 -0.003 0.062 0.002 -0.040 0.083 0.207 0.040 -0.042 -0.061 -0.189 -0.077 -0.126 0.045 0.144 0.136 0.021 -0.096 0.011 0.043 -0.051 0.096 -0.346 0.009 0.149 -0.092 -0.036 -0.059 0.158 -0.005 0.004 -0.006 0.070 0.005 -0.040 -0.010 0.001 0.016 -0.008 -0.076 -0.032 0.012 0.001 -0.240 0.130 -0.050 0.013 -0.051 0.055 -0.012 -0.047 0.022 -0.078 -0.047 -0.053 0.145 -0.158 0.068 0.093 -0.029 -0.066 0.011 -0.012 -0.017 -0.083 0.051 0.016 -0.265 -0.142 0.033 0.090 -0.086 -0.112 -0.328 -0.264 0.073 0.159 0.217 0.178 -0.016 0.030 -0.021 0.043 -0.013 0.003 0.036 0.045 -0.013 -0.010 -0.029 -0.001 0.036 -0.045 -0.026 0.083 0.060 -0.048 -0.056 0.063 -0.016 -0.048 0.016 -0.008 0.003 0.004 -0.024 -0.016 -0.005 -0.009 -0.014 0.009 -0.002 0.000 0.042 0.005 -0.034 -0.161 0.264 -0.021 -0.008 0.021 -0.024 0.019 0.027 0.064 0.144 0.140 -0.095 0.115 0.001 -0.013 -0.042 0.094 0.083 -0.059 0.001 -0.067 -0.041 -0.191 0.028 -0.016 -0.008 -0.015 -0.007 -0.062 0.027 -0.007 0.009 0.000 -0.011 0.007 0.003 -0.000 -0.017 0.049 0.008 0.061 0.005 -0.003 -0.002 -0.013 -0.038 0.010 -0.021 -0.113 -0.202 -0.188 0.165 -0.062 0.031 -0.009 0.012 0.017 0.002 0.007 -0.008 -0.006 -0.013 0.012 0.039 -0.015 0.014 0.035 0.100 -0.690 -0.314 0.047 -0.057 -0.120 -0.077 -0.043 -0.011 -0.029 -0.027 0.007 -0.020 -0.003 -0.001 -0.007 -0.011 -0.001 0.004 0.008 0.020 0.009 0.034 0.051 -0.024 -0.008 -0.001 -0.072 0.029 -0.017 -0.013 0.004 -0.006 0.007 0.028 -0.015 -0.009 -0.038 0.034 -0.003 0.011 -0.016 0.067 0.007 0.043 -0.041 -0.021 0.027 -0.003 0.193 -0.051 0.005 -0.023 0.010 -0.004 0.001 -0.030 0.005 -0.004 0.007 -0.024 0.281 -0.218 0.020 0.006 0.031 -0.030 -0.003 -0.005 0.015 -0.002 0.001 0.002 0.002 0.009 0.000 0.030 -0.013 -0.011 -0.040 -0.058 0.064 -0.391 0.208 0.127 -0.039 0.020 -0.001 0.017 -0.009 -0.008 -0.037 -0.010 -0.120 0.031 -0.048 0.035 -0.019 0.016 -0.009 -0.009 0.021 0.003 -0.005 0.007 -0.023 -0.197 0.022 0.021 0.007 -0.010 -0.037 -0.040 0.023 -0.028 0.071 0.321 -0.627 0.011 0.007 0.007 0.017 -0.036 0.035 0.058 -0.026 -0.020 -0.009 -0.030 0.034 -0.007 -0.042 0.084 -0.016 -0.021 0.039 -0.017 -0.011 0.025 0.003 0.002 0.028 0.003 -0.002 -0.002 -0.005 -0.018 -0.004 -0.027 -0.068 0.031 0.009 -0.006 0.019 -0.009 -0.031 0.059 -0.002 0.011 0.008 0.084 0.042 0.112 0.008 0.049 0.043 -0.049 0.028 0.003 -0.007 -0.005 0.006 0.207 0.503 -0.272 -0.028 -0.005 -0.099 0.030 0.006 -0.014 -0.005 -0.031 0.067 0.011 0.001 -0.000 0.008 0.026 -0.026 -0.028 -0.006 0.022 -0.198 -0.186 -0.586 -0.009 -0.003 -0.034 -0.016 -0.048 0.030 -0.034 -0.048 -0.146 -0.069 0.037 -0.001 -0.018 -0.020 0.029 0.006 0.005 0.041 -0.006 0.003 -0.013 -0.093 -0.131 0.051 0.021 0.001 0.011 -0.237 -0.072 -0.011 0.020 0.062 -0.059 0.001 0.009 -0.005 0.004 0.007 0.026 0.029 0.031 0.077 -0.010 -0.020 0.031 -0.001 -0.006 0.008 0.006 -0.007 -0.002 -0.013 -0.029 0.055 -0.017 0.014 -0.019 -0.005 0.005 -0.009 0.018 0.036 0.045 0.032 -0.023 -0.024 -0.050 -0.038 -0.036 0.001 -0.116 0.120 -0.033 -0.040 0.053 0.259 -0.037 0.018 0.010 0.052 0.036 -0.074 0.115 -0.007 -0.054 -0.014 0.022 -0.230 0.072 0.003 0.006 0.008 -0.069 -0.005 -0.015 -0.019 -0.021 -0.052 -0.031 0.038 0.005 0.006 -0.050 0.026 0.041 -0.003 -0.031 0.017 -0.228 0.096 0.080 -0.041 0.037 -0.017 -0.006 0.052 -0.036 0.031 -0.042 -0.085 -0.136 0.154 -0.083 -0.080 0.013 0.028 -0.031 -0.024 -0.096 0.038 -0.009 -0.006 0.448 0.008 -0.053 -0.006 0.059 0.122 -0.248 -0.095 0.009 0.183 0.464 0.253 -0.052 0.003 0.001 -0.019 -0.035 -0.018 0.037 -0.036 0.006 -0.030 -0.053 -0.041 -0.048 -0.051 -0.027 0.025 -0.025 -0.036 -0.014 -0.054 -0.020 -0.284 0.075 0.023 -0.005 -0.003 0.007 -0.127 -0.089 -0.225 -0.003 0.012 -0.010 0.002 0.111 -0.017 0.020 0.072 -0.082 0.001 0.044 -0.039 0.203 -0.043 0.027 -0.043 -0.017 -0.038 0.133 0.073 -0.020 0.005 0.009 -0.022 -0.038 0.094 -0.033 0.015 -0.002 0.074 0.396 -0.156 0.002 -0.062 0.073 -0.047 -0.005 -0.017 -0.007 -0.008 -0.007 0.009 -0.018 0.049 -0.030 0.042 0.013 0.066 0.012 0.015 0.008 -0.148 -0.434 0.193 0.052 0.039 0.158 0.199 0.070 -0.172 0.021 0.014 0.008 0.007 -0.043 0.074 -0.003 -0.039 -0.003 0.032 -0.041 0.015 0.040 0.030 0.120 0.141 0.068 -0.013 0.029 0.073 -0.047 0.003 0.009 0.012 0.117 0.062 0.161 -0.034 0.005 -0.013 0.002 0.010 0.007 0.005 0.017 0.000 0.082 0.191 -0.066 -0.036 0.084 -0.058 0.098 0.001 0.006 0.002 -0.004 -0.003 0.040 0.043 0.149 -0.043 -0.003 0.008 -0.018 0.005 0.048 0.019 0.035 0.023 -0.169 -0.270 0.111 -0.031 -0.019 -0.072 -0.024 0.027 -0.003 -0.028 -0.057 0.001 -0.045 -0.009 -0.010 0.069 -0.008 -0.023 -0.005 0.009 0.009 0.363 -0.104 -0.058 -0.048 0.019 0.092 -0.011 -0.006 -0.019 0.043 0.016 -0.004 -0.015 0.037 0.048 -0.008 0.017 0.056 0.004 -0.003 -0.006 0.078 0.145 -0.146 -0.029 -0.003 -0.031 0.072 -0.102 0.019 -0.313 0.098 -0.004 -0.139 -0.217 -0.542 0.006 -0.015 -0.016 0.031 -0.012 0.004 0.060 -0.035 -0.043 0.038 0.004 -0.004 -0.032 -0.085 0.052 -0.043 0.031 0.020 0.064 0.110 0.223 -0.009 0.003 0.023 0.008 0.029 0.017 0.006 0.023 0.022 0.094 0.107 -0.013 -0.040 0.020 0.096 -0.042 0.017 -0.002 0.037 -0.030 -0.002 -0.021 -0.019 -0.048 -0.002 -0.002 -0.017 -0.044 -0.040 -0.016 0.060 0.121 0.049 0.017 0.049 -0.013 0.006 0.015 0.006 -0.110 0.172 0.033 -0.122 -0.183 0.052 -0.250 -0.032 -0.095 -0.011 -0.014 -0.014 0.014 0.129 -0.059 -0.010 -0.001 0.003 -0.019 0.027 -0.007 -0.002 0.012 0.025 0.001 0.006 0.013 -0.039 -0.017 0.032 0.019 -0.029 0.006 0.013 0.008 -0.001 -0.027 -0.055 0.026 -0.239 -0.094 -0.575 0.037 -0.289 0.283 0.002 0.002 0.011 0.009 0.015 0.057 0.030 -0.009 -0.002 0.070 0.017 -0.003 0.060 -0.129 -0.275 -0.107 0.007 -0.084 -0.024 -0.018 -0.004 -0.155 0.191 0.096 0.001 -0.022 -0.036 -0.012 -0.013 0.006 -0.017 -0.028 -0.010 -0.009 0.012 -0.000 0.015 0.029 -0.020 -0.062 0.008 0.011 -0.017 0.014 0.005 -0.006 0.014 -0.038 0.004 0.009 -0.004 -0.014 -0.010 -0.006 -0.029 0.023 -0.005 0.003 -0.077 0.288 0.000 -0.004 -0.007 0.009 0.012 -0.002 0.033 0.021 0.000 0.129 -0.089 -0.004 -0.081 -0.068 0.129 0.017 0.006 -0.021 0.072 0.003 0.327 -0.020 0.011 -0.008 0.014 0.025 0.008 -0.016 0.006 -0.015 0.007 -0.001 0.001 0.059 -0.024 -0.021 -0.007 -0.004 -0.011 -0.004 0.013 -0.004 -0.002 0.001 -0.003 0.174 0.109 0.549 0.160 -0.107 0.020 0.026 -0.014 -0.010 0.000 0.006 0.009 0.032 -0.008 -0.005 -0.032 -0.006 0.012 -0.050 0.008 -0.036 0.518 -0.100 0.185 -0.004 0.009 -0.023 -0.143 -0.029 0.003 -0.031 -0.007 -0.055 0.002 -0.001 0.007 0.021 0.029 -0.016 -0.006 -0.002 0.008 0.034 0.027 -0.012 0.029 0.041 -0.027 0.077 -0.048 0.003 0.024 -0.038 0.000 0.009 0.016 0.047 -0.006 0.007 0.003 0.038 0.064 0.022 0.029 0.141 -0.036 -0.034 -0.081 0.033 0.011 -0.011 -0.001 -0.124 0.192 0.090 0.190 0.216 -0.054 -0.229 -0.030 -0.120 0.028 -0.010 0.005 -0.082 -0.050 0.062 -0.088 0.037 0.014 -0.036 0.001 -0.013 -0.019 -0.033 -0.029 -0.001 -0.001 -0.008 0.001 0.037 -0.063 0.012 -0.003 -0.010 -0.008 -0.004 0.001 0.017 0.068 -0.034 0.065 -0.046 0.250 0.269 0.244 -0.425 0.090 -0.032 -0.028 -0.001 -0.000 0.011 0.012 -0.004 0.002 -0.062 -0.015 0.011 0.123 0.086 0.333 0.105 0.051 -0.093 0.017 0.005 0.016 -0.068 0.330 0.077 0.028 0.000 0.003 -0.008 0.006 -0.002 0.037 0.016 0.005 0.008 -0.004 -0.005 -0.036 -0.132 0.058 -0.028 0.010 -0.034 0.130 -0.075 -0.005 0.007 0.011 0.004 -0.040 -0.003 -0.017 -0.012 0.013 -0.003 0.011 0.116 -0.014 0.051 0.108 0.096 -0.116 -0.195 0.106 0.075 -0.007 0.037 -0.084 -0.031 -0.164 -0.000 0.022 0.008 0.099 0.011 0.071 0.025 -0.008 0.000 0.111 0.180 -0.077 -0.006 0.015 0.016 -0.091 0.081 -0.061 -0.023 -0.010 0.011 -0.006 0.004 -0.002 -0.018 0.023 -0.020 0.010 -0.009 -0.014 -0.015 0.004 -0.005 -0.015 -0.013 -0.013 -0.171 0.078 -0.517 0.330 -0.102 -0.083 0.246 -0.074 -0.040 0.009 -0.020 0.025 0.013 -0.007 -0.001 0.016 -0.018 0.001 0.158 -0.054 0.005 -0.205 -0.059 0.046 0.022 0.014 0.028 -0.124 -0.287 0.029 0.048 0.022 0.021 -0.017 0.006 -0.001 0.016 0.039 -0.013 0.009 0.008 -0.007 -0.018 -0.172 0.072 -0.095 0.095 -0.104 -0.261 0.064 -0.034 -0.006 -0.000 -0.005 0.110 0.129 0.318 0.018 0.012 -0.012 0.012 0.106 -0.096 -0.032 -0.081 -0.002 -0.043 -0.164 0.078 0.070 0.021 0.071 0.061 0.004 0.080 -0.052 -0.106 0.031 -0.038 -0.009 -0.006 0.020 0.006 -0.010 -0.029 -0.062 0.051 -0.018 -0.025 0.035 0.051 0.033 -0.090 0.026 0.015 0.027 0.012 -0.006 -0.012 -0.009 -0.050 -0.090 -0.023 0.011 0.001 -0.013 0.007 -0.018 -0.061 -0.056 0.056 0.050 -0.035 0.172 -0.240 -0.061 0.238 0.043 0.028 0.018 0.056 0.036 0.096 -0.009 -0.005 0.001 -0.073 -0.022 0.013 -0.089 -0.008 -0.120 0.151 0.010 0.010 -0.013 -0.024 0.034 0.064 0.096 -0.027 0.083 0.192 0.393 0.004 -0.007 -0.024 -0.015 0.008 -0.152 -0.002 0.005 -0.023 -0.129 -0.349 0.088 0.036 0.067 -0.203 -0.294 0.102 0.007 0.026 0.002 0.004 0.131 0.064 0.234 0.010 -0.010 0.003 0.018 -0.060 0.039 0.050 0.133 0.083 0.147 0.184 -0.117 -0.065 0.015 0.002 -0.132 0.029 -0.160 0.027 0.130 -0.027 0.030 0.001 0.040 0.004 0.022 -0.004 0.096 0.153 -0.046 -0.082 0.010 -0.002 0.134 -0.015 -0.020 -0.040 -0.011 -0.004 0.009 -0.005 -0.006 0.010 -0.039 -0.054 0.001 0.011 0.015 0.009 -0.009 0.001 0.015 0.056 0.014 -0.134 0.041 -0.431 0.224 0.081 -0.235 -0.285 0.101 0.037 0.013 0.046 0.015 0.000 -0.005 -0.005 -0.053 0.000 0.004 0.106 0.010 0.154 -0.149 -0.045 0.026 -0.012 -0.030 -0.007 -0.165 -0.201 0.064 -0.002 0.018 0.073 0.011 -0.007 -0.009 0.064 -0.070 -0.017 -0.006 -0.015 -0.007 0.012 0.033 -0.036 0.130 -0.015 -0.024 -0.007 0.002 -0.000 -0.001 -0.008 0.003 0.003 0.004 0.005 -0.001 -0.001 0.001 -0.007 0.013 -0.000 0.001 -0.024 0.045 0.001 -0.004 -0.002 0.001 0.002 0.006 0.061 -0.113 -0.044 0.013 -0.008 0.004 0.106 0.055 -0.119 0.001 0.004 -0.000 0.042 0.023 0.061 0.002 0.002 -0.001 0.015 0.028 -0.022 -0.006 0.001 0.001 0.000 -0.001 -0.000 0.019 -0.014 -0.006 0.002 0.002 -0.002 -0.003 0.001 -0.001 0.004 0.005 -0.001 0.068 0.081 0.147 0.038 -0.019 0.002 0.006 -0.001 -0.001 0.000 -0.001 -0.007 -0.002 -0.001 0.000 -0.000 -0.003 0.000 -0.005 -0.003 -0.008 -0.912 0.012 -0.209 0.002 0.001 -0.000 -0.091 0.127 0.046 -0.010 -0.001 -0.008 0.001 0.001 -0.000 0.012 0.015 -0.001 0.000 -0.002 0.001 0.007 0.006 -0.001 0.031 0.038 -0.040 0.066 -0.005 -0.006 0.073 0.022 0.013 -0.012 -0.004 -0.018 -0.002 0.003 -0.001 -0.040 -0.032 -0.044 0.012 -0.033 0.013 -0.008 -0.008 -0.002 0.008 -0.013 -0.023 -0.156 -0.002 -0.278 -0.019 -0.019 -0.012 -0.046 0.011 -0.016 0.001 -0.013 0.002 -0.189 -0.338 -0.007 0.036 -0.014 -0.001 0.028 -0.060 0.166 0.025 0.011 -0.008 -0.003 -0.003 -0.005 -0.023 0.064 0.016 0.001 0.006 0.003 0.001 -0.000 0.002 -0.022 -0.041 0.009 -0.020 -0.192 0.319 -0.532 0.175 0.130 0.022 -0.016 -0.009 0.013 0.012 0.033 -0.031 0.011 0.004 0.012 0.023 -0.022 -0.108 0.044 -0.006 -0.148 0.023 -0.026 0.002 0.000 -0.005 -0.268 -0.112 0.149 0.002 0.025 0.037 0.002 0.004 -0.002 -0.031 0.007 -0.078 0.003 0.001 0.003 -0.013 -0.039 -0.002 0.048 -0.073 0.223 -0.028 -0.022 -0.000 0.017 0.008 0.005 0.015 0.009 0.050 0.003 -0.002 -0.001 -0.006 0.190 0.000 0.009 0.012 -0.084 0.032 0.040 -0.018 0.025 0.011 0.090 -0.050 0.003 -0.070 0.049 -0.050 0.001 -0.026 -0.000 0.006 -0.007 0.016 -0.008 -0.075 -0.118 0.015 -0.005 -0.021 -0.008 -0.039 0.133 -0.431 0.015 0.002 0.017 0.010 0.004 0.004 -0.040 -0.119 0.001 -0.010 -0.032 -0.015 -0.009 -0.006 0.000 0.067 0.161 -0.067 0.006 -0.063 0.162 -0.158 0.024 0.086 0.081 -0.005 0.032 -0.046 -0.041 -0.049 -0.002 0.003 0.003 -0.022 -0.054 0.038 -0.067 0.022 -0.009 0.092 0.022 0.015 -0.009 -0.007 0.002 -0.044 -0.041 0.032 0.031 -0.058 -0.019 -0.010 -0.010 0.011 -0.112 -0.231 0.149 -0.003 0.005 -0.002 0.043 0.156 -0.026 -0.106 0.179 -0.620 0.025 -0.005 0.012 -0.015 0.002 -0.001 0.023 0.013 0.038 -0.008 0.007 -0.018 0.001 -0.005 -0.015 0.020 0.018 0.053 0.023 0.042 -0.022 -0.016 -0.015 -0.040 0.035 -0.052 -0.003 0.049 -0.011 -0.018 0.037 0.015 -0.010 -0.010 -0.031 -0.013 -0.044 0.004 0.006 -0.006 -0.024 -0.009 -0.260 -0.313 0.016 0.002 0.005 -0.004 0.007 0.012 -0.005 -0.020 0.047 0.021 -0.013 -0.024 0.000 0.011 0.006 0.010 -0.017 0.025 -0.027 0.047 0.100 0.206 0.243 -0.089 -0.039 -0.000 -0.002 -0.017 0.004 0.032 0.089 0.023 0.015 0.004 -0.014 -0.008 0.002 0.098 -0.025 -0.002 -0.147 0.010 -0.026 -0.014 -0.017 -0.005 0.009 -0.001 -0.010 0.067 0.034 0.080 -0.008 -0.008 0.012 -0.114 -0.246 -0.118 -0.002 0.010 0.002 0.059 0.015 -0.027 -0.595 -0.418 0.060 -0.223 0.048 0.032 0.029 0.007 0.004 -0.072 -0.038 -0.165 0.024 0.007 0.006 0.060 -0.071 0.078 -0.022 -0.135 -0.073 -0.105 -0.164 0.109 -0.024 -0.002 -0.028 -0.013 -0.008 -0.054 0.068 -0.026 -0.004 -0.049 0.004 -0.002 -0.010 0.004 0.013 -0.037 -0.014 0.020 -0.189 0.093 0.024 -0.248 -0.201 -0.251 0.007 0.018 0.012 0.010 0.012 -0.005 0.130 -0.035 -0.055 -0.009 0.009 -0.025 0.008 0.005 0.016 -0.034 -0.138 0.096 -0.107 -0.028 -0.085 0.146 -0.065 0.035 -0.198 0.084 -0.006 -0.020 -0.048 -0.184 -0.027 0.007 0.004 -0.035 -0.054 0.031 0.039 -0.015 -0.026 0.014 0.028 0.003 0.008 -0.007 -0.003 -0.042 -0.027 0.030 -0.091 -0.073 -0.153 0.027 0.011 0.007 0.156 0.136 0.026 0.016 0.007 0.005 -0.069 -0.124 0.039 -0.411 -0.232 -0.278 0.112 -0.030 -0.002 0.045 0.005 0.003 0.031 0.047 0.063 -0.006 -0.006 0.006 0.031 -0.030 -0.006 -0.059 -0.356 -0.152 0.034 0.052 -0.017 -0.006 0.001 -0.013 0.002 0.030 -0.019 -0.007 0.034 0.009 -0.110 -0.011 -0.005 0.011 0.005 -0.002 0.128 0.110 0.084 0.149 -0.049 -0.009 -0.004 -0.098 -0.054 -0.014 0.002 0.002 -0.006 0.001 0.002 0.095 -0.019 -0.018 0.014 0.006 0.000 -0.008 0.004 0.001 0.018 0.060 -0.019 -0.222 -0.112 -0.555 0.483 -0.150 -0.122 0.099 -0.025 -0.020 0.022 0.040 0.068 -0.045 0.005 0.004 -0.008 -0.004 0.003 0.027 0.001 0.019 0.080 0.027 0.010 0.005 0.008 0.000 -0.037 0.011 0.032 -0.046 0.059 0.073 -0.002 0.003 -0.007 -0.011 0.060 -0.034 -0.007 -0.013 -0.002 -0.024 0.104 -0.021 -0.044 -0.107 -0.058 0.187 -0.102 -0.019 -0.018 -0.002 -0.000 0.107 0.150 0.273 -0.028 0.005 -0.006 -0.123 -0.177 0.134 0.041 0.202 0.013 0.052 0.057 -0.042 -0.005 0.030 -0.000 0.000 -0.004 0.013 0.057 0.017 0.013 0.036 -0.006 0.002 0.017 -0.004 -0.026 -0.076 -0.073 -0.069 0.319 -0.066 -0.014 0.070 -0.091 -0.321 -0.001 0.009 0.009 -0.003 -0.004 0.005 0.129 -0.053 0.025 0.034 -0.003 -0.016 -0.014 0.013 0.003 -0.118 -0.160 0.063 0.011 -0.025 0.082 -0.129 0.092 0.038 -0.019 -0.000 -0.082 0.006 0.038 0.024 0.017 -0.001 0.025 0.011 -0.010 -0.005 -0.046 -0.013 -0.020 0.041 -0.009 0.003 -0.003 -0.009 -0.012 0.031 -0.003 -0.013 -0.106 -0.119 -0.249 -0.007 0.017 0.015 0.034 0.176 -0.306 -0.006 -0.008 0.004 0.059 -0.103 0.032 0.037 -0.084 -0.364 -0.181 0.097 -0.030 -0.012 -0.001 -0.001 -0.089 -0.006 -0.139 -0.014 -0.036 0.010 -0.121 0.175 -0.157 0.013 0.115 -0.010 0.126 0.119 -0.143 0.044 -0.006 -0.039 0.012 -0.003 0.018 0.004 0.029 0.074 0.023 -0.004 0.002 0.011 0.031 -0.036 -0.047 -0.081 -0.076 -0.066 0.027 0.028 -0.105 -0.001 -0.028 0.002 -0.011 0.019 -0.015 -0.027 0.012 0.274 0.213 -0.174 0.020 0.028 -0.028 0.001 0.005 0.020 0.146 0.300 -0.119 -0.150 -0.125 -0.248 -0.045 0.048 0.081 0.159 -0.079 -0.097 -0.027 -0.058 -0.142 -0.001 -0.029 0.030 0.020 0.042 -0.044 -0.024 -0.038 -0.084 0.055 -0.009 0.006 0.021 0.038 -0.061 0.027 0.005 -0.013 0.053 0.039 0.106 -0.003 0.020 0.007 0.185 0.201 -0.354 -0.004 -0.031 0.042 0.056 0.075 -0.025 -0.176 0.001 -0.095 -0.204 0.013 0.047 0.001 0.001 -0.001 0.033 0.012 -0.001 0.007 0.023 -0.003 0.090 0.006 0.007 0.007 -0.026 0.049 0.136 0.314 -0.114 -0.001 -0.006 0.009 0.009 -0.003 -0.001 -0.040 -0.034 -0.010 -0.003 -0.004 -0.002 0.032 -0.010 0.010 -0.004 0.005 0.022 0.275 -0.061 0.018 0.067 -0.209 0.104 0.002 0.014 0.004 -0.024 0.007 0.009 -0.034 -0.035 -0.124 0.005 -0.019 0.002 0.000 -0.001 -0.008 0.014 0.059 0.028 0.016 0.023 0.062 0.076 -0.093 0.046 0.268 -0.132 -0.049 -0.147 -0.142 -0.324 0.004 0.021 -0.015 0.025 0.017 0.007 0.032 0.008 -0.009 -0.022 -0.004 -0.004 -0.006 -0.016 -0.010 -0.007 0.003 0.002 0.064 -0.081 -0.154 -0.022 0.007 0.016 -0.017 -0.061 0.287 -0.003 -0.003 0.003 -0.196 -0.369 0.123 0.014 -0.232 0.134 0.095 -0.126 0.047 -0.007 -0.002 -0.002 0.024 0.030 0.119 -0.011 0.002 0.015 0.178 0.058 -0.004 0.016 0.081 0.069 0.013 0.056 0.016 0.063 -0.006 0.032 0.001 0.002 0.006 0.043 -0.073 0.038 0.020 -0.007 -0.001 0.035 0.021 0.021 -0.035 -0.036 -0.021 0.068 0.024 0.015 -0.126 -0.109 -0.012 0.004 0.006 0.006 -0.009 0.003 0.006 0.072 0.156 -0.118 0.023 0.015 0.030 -0.021 -0.003 -0.016 0.046 0.048 0.015 0.007 0.021 0.085 -0.614 0.171 0.238 -0.099 0.016 0.012 0.066 0.078 0.149 -0.006 -0.025 -0.021 0.010 0.004 0.026 0.030 -0.012 -0.082 -0.013 -0.016 -0.004 0.025 0.019 0.026 0.001 0.004 -0.002 0.043 0.004 0.046 -0.013 -0.005 -0.026 0.237 0.140 0.315 -0.006 -0.020 -0.028 -0.009 0.095 -0.020 -0.260 -0.142 -0.024 -0.005 -0.006 0.003 -0.002 0.001 -0.000 0.008 0.002 0.011 -0.002 -0.000 0.002 0.015 0.028 0.035 0.005 0.035 0.010 -0.007 -0.000 -0.003 0.002 0.002 0.005 -0.003 -0.002 -0.006 -0.089 0.018 0.027 0.007 -0.001 -0.000 0.002 0.003 0.003 -0.036 -0.061 -0.009 -0.006 0.010 0.000 0.002 -0.013 0.001 0.009 0.002 -0.001 -0.001 -0.000 0.000 0.003 -0.003 0.019 0.004 0.002 0.004 -0.002 -0.000 -0.003 0.006 -0.000 0.001 0.035 -0.031 0.104 0.895 -0.370 -0.145 -0.007 -0.003 -0.005 0.009 0.010 0.016 0.001 -0.004 -0.004 0.007 0.001 0.001 -0.058 0.022 -0.013 0.005 -0.003 0.000 0.003 0.001 0.005 -0.003 -0.000 0.002 0.006 -0.001 0.006 -0.002 -0.000 -0.003 0.038 0.019 0.028 -0.000 -0.002 -0.003 0.012 0.007 -0.003 0.033 -0.006 0.004 0.137 -0.087 -0.002 0.003 0.004 -0.001 0.018 0.010 0.156 -0.001 0.016 -0.008 -0.041 0.261 -0.252 -0.016 -0.123 -0.045 0.103 0.011 -0.054 0.086 -0.034 0.041 0.034 -0.014 0.006 -0.033 0.033 0.033 -0.019 0.001 -0.002 -0.005 -0.014 0.000 0.047 -0.016 0.048 -0.056 0.010 0.003 -0.038 0.126 0.092 -0.001 -0.022 0.010 0.014 -0.014 -0.001 0.036 0.282 -0.187 -0.009 -0.005 -0.006 -0.018 -0.006 -0.006 -0.077 -0.183 0.094 -0.211 -0.177 -0.425 0.312 -0.101 -0.045 -0.216 0.054 0.048 -0.027 -0.043 -0.086 -0.000 0.016 0.027 -0.031 0.025 -0.020 -0.036 -0.015 -0.025 0.028 0.009 0.002 -0.003 -0.015 -0.020 0.004 0.017 -0.004 0.044 -0.139 -0.215 0.004 0.003 0.015 -0.010 -0.186 -0.035 0.007 0.013 -0.000 0.018 -0.061 0.054 -0.071 0.138 0.025 -0.109 0.007 -0.019 0.007 0.002 0.002 0.081 -0.030 0.109 -0.014 0.000 0.003 0.065 0.166 0.233 -0.002 -0.142 -0.082 0.039 0.075 -0.105 -0.017 0.022 0.019 -0.019 0.012 -0.007 -0.008 -0.055 -0.012 -0.025 0.001 0.000 0.006 0.008 -0.002 0.009 0.045 -0.002 0.053 0.016 -0.016 -0.291 0.235 0.098 0.013 -0.014 -0.023 -0.013 -0.015 0.003 -0.165 -0.006 0.265 0.018 0.006 0.005 0.012 -0.009 -0.009 0.027 0.021 -0.030 0.165 0.139 0.281 -0.252 0.045 0.015 -0.011 -0.045 -0.052 0.050 0.052 0.010 -0.004 0.010 -0.001 0.073 0.020 -0.037 0.016 0.007 -0.000 -0.000 0.016 0.002 0.008 -0.003 0.005 -0.001 -0.010 0.007 -0.058 -0.005 -0.095 -0.003 0.008 0.001 0.185 0.020 -0.101 0.001 -0.009 0.003 0.127 -0.131 0.021 -0.484 0.175 0.099 0.174 -0.079 0.006 -0.002 0.000 -0.001 0.087 0.048 0.180 0.004 0.005 -0.003 0.067 0.005 0.146 0.006 0.016 -0.001 0.064 0.165 -0.097 0.001 0.004 0.005 0.012 0.000 0.005 0.007 -0.029 0.013 0.003 -0.008 -0.003 -0.006 -0.003 0.008 0.018 -0.028 0.018 -0.396 0.142 0.017 0.041 -0.071 -0.023 -0.005 0.005 -0.008 -0.023 0.000 0.004 -0.004 -0.021 0.090 0.001 0.001 -0.006 -0.012 0.003 -0.007 -0.122 -0.351 0.166 -0.083 -0.094 -0.169 -0.221 0.061 0.054 0.249 -0.093 -0.058 -0.081 -0.124 -0.372 -0.007 -0.014 -0.013 0.042 -0.001 -0.008 0.013 0.014 -0.009 0.017 -0.008 -0.002 0.002 -0.012 0.002 0.002 0.011 -0.001 0.042 0.118 0.242 0.005 0.002 0.005 0.093 0.018 -0.002 0.004 0.007 0.003 0.129 0.196 -0.093 -0.001 -0.087 -0.008 -0.028 0.005 0.014 -0.005 0.004 -0.003 0.002 -0.032 -0.018 -0.005 0.003 0.000 0.005 -0.014 0.092 0.008 0.028 0.019 -0.027 -0.034 -0.013 0.003 -0.006 0.005 0.064 -0.035 0.004 -0.001 -0.006 -0.018 0.006 -0.002 -0.002 0.004 -0.002 0.001 0.019 -0.097 0.088 0.010 0.005 0.001 0.030 -0.009 -0.002 -0.003 0.004 -0.005 -0.005 0.003 -0.002 0.011 0.012 0.024 0.003 -0.003 0.002 -0.003 0.000 -0.000 0.015 0.018 -0.014 -0.429 -0.403 -0.761 -0.102 0.035 -0.002 -0.002 -0.000 -0.018 0.012 0.009 0.032 0.001 0.006 -0.003 0.019 -0.005 -0.005 -0.008 0.017 0.019 0.036 -0.002 0.001 0.006 -0.004 0.004 0.006 0.025 -0.011 0.048 -0.024 0.002 -0.006 0.001 0.000 0.046 -0.067 -0.001 0.004 0.003 -0.000 0.037 -0.035 -0.013 0.067 -0.002 0.010 0.009 0.011 0.019 0.003 -0.002 0.003 -0.021 -0.123 -0.022 -0.016 0.008 0.001 0.066 -0.080 0.106 0.031 -0.095 -0.023 -0.007 -0.099 -0.046 0.037 -0.029 0.007 -0.040 0.042 0.005 0.005 -0.015 0.052 -0.015 -0.030 -0.009 0.019 -0.010 -0.001 0.005 0.073 -0.078 0.001 0.008 0.010 0.168 -0.020 -0.038 -0.010 0.002 0.000 -0.022 0.009 -0.000 0.081 0.065 -0.063 0.012 -0.007 -0.005 -0.019 0.005 0.004 0.040 0.018 0.012 0.377 0.324 0.626 -0.032 -0.003 0.077 0.005 0.018 -0.026 0.033 -0.002 0.011 -0.010 0.020 0.005 0.034 -0.015 -0.018 -0.006 -0.016 -0.047 -0.002 -0.008 -0.009 0.021 -0.012 -0.005 0.005 -0.009 0.014 0.125 -0.070 0.023 -0.017 0.006 0.004 0.182 -0.213 -0.069 0.013 0.009 0.002 0.063 -0.040 -0.059 0.318 0.013 -0.009 -0.087 -0.116 0.126 -0.001 -0.001 -0.000 -0.013 -0.073 -0.039 -0.012 0.011 -0.007 0.241 0.208 -0.058 0.013 0.085 -0.084 -0.037 -0.005 0.085 0.022 0.007 0.014 -0.004 0.003 0.004 -0.022 -0.035 0.009 0.004 -0.008 -0.005 -0.023 -0.002 0.006 0.003 -0.010 0.013 0.032 -0.026 -0.053 0.160 -0.161 0.072 -0.007 0.008 0.011 -0.006 0.008 -0.007 -0.055 -0.094 -0.175 0.030 -0.014 -0.002 -0.012 0.008 -0.003 -0.066 -0.016 -0.173 -0.035 -0.016 -0.040 -0.091 -0.020 0.091 0.080 0.034 0.233 0.106 0.151 -0.106 -0.003 -0.017 0.024 -0.016 -0.042 -0.002 0.038 0.023 -0.013 0.023 -0.001 -0.003 0.007 0.001 -0.008 0.006 0.005 0.001 -0.508 0.141 -0.052 0.010 -0.003 -0.006 0.004 -0.063 -0.057 0.001 -0.006 0.016 0.419 -0.093 -0.069 0.235 -0.130 0.048 0.102 0.192 -0.132 0.001 -0.002 0.001 0.023 0.167 -0.064 -0.012 -0.010 0.005 0.005 0.485 0.095 0.002 0.034 -0.054 -0.037 -0.112 -0.085 -0.069 -0.006 -0.057 -0.015 0.013 0.005 -0.035 -0.038 0.020 0.002 -0.011 -0.004 0.003 -0.011 0.003 0.001 0.006 -0.036 0.016 0.040 -0.078 0.089 -0.172 0.181 -0.007 0.009 0.006 -0.003 -0.009 0.001 0.163 -0.453 -0.096 0.003 0.005 0.007 -0.010 0.012 0.005 0.077 -0.078 0.106 0.029 0.054 0.046 -0.335 0.074 0.112 -0.110 -0.024 -0.219 -0.070 0.015 0.106 -0.004 -0.005 -0.004 0.065 0.032 -0.031 0.087 0.020 0.000 0.009 -0.010 -0.003 0.004 -0.007 0.017 0.005 -0.000 0.003 0.036 -0.132 -0.021 0.008 0.004 0.012 0.011 -0.022 -0.000 -0.000 -0.000 -0.004 -0.031 0.066 0.067 0.092 -0.094 -0.038 -0.201 -0.417 0.369 0.006 -0.001 0.002 0.034 0.275 -0.127 0.010 0.004 -0.003 -0.118 0.030 0.038 -0.020 -0.082 -0.056 -0.060 -0.021 0.036 -0.029 0.069 0.105 -0.019 0.015 -0.001 -0.001 0.003 0.005 -0.009 -0.003 -0.001 -0.013 0.027 -0.018 0.024 0.037 -0.026 0.013 0.252 0.136 0.083 -0.029 0.045 -0.005 -0.002 -0.002 0.009 -0.016 0.007 0.018 0.026 -0.002 -0.016 0.010 0.023 0.011 -0.011 -0.031 -0.142 0.061 -0.083 0.130 0.108 0.175 -0.055 0.024 0.015 -0.066 -0.008 -0.284 -0.174 -0.011 0.090 -0.004 0.011 0.005 0.016 0.051 -0.014 0.002 -0.015 -0.003 -0.003 0.002 -0.001 -0.011 -0.021 -0.007 -0.002 -0.004 0.006 0.202 -0.097 0.024 0.010 -0.007 -0.009 -0.168 0.092 0.028 -0.007 0.003 0.011 0.285 -0.034 -0.060 0.109 -0.005 -0.001 0.078 0.145 -0.099 0.002 -0.000 -0.000 -0.107 -0.373 0.091 0.012 -0.031 0.007 0.221 0.086 -0.020 -0.016 -0.018 0.021 0.039 0.261 0.427 0.065 -0.029 -0.058 0.002 -0.001 -0.001 -0.006 -0.028 -0.027 0.000 0.002 0.001 -0.029 0.022 -0.002 0.016 0.000 0.036 0.021 0.144 -0.024 0.093 -0.046 -0.116 -0.002 0.002 0.007 0.006 -0.031 0.016 -0.215 0.000 -0.041 0.011 -0.003 0.008 -0.004 0.008 0.016 -0.208 0.023 -0.190 -0.019 -0.021 -0.029 0.019 -0.047 0.023 -0.140 -0.027 -0.423 0.075 0.063 -0.040 -0.002 -0.003 0.003 -0.056 0.106 -0.040 0.003 0.020 -0.003 -0.005 -0.003 0.001 -0.003 0.001 -0.017 -0.006 0.003 0.000 0.145 -0.042 0.015 -0.002 0.012 0.017 -0.088 0.104 -0.086 -0.003 0.008 -0.011 0.016 -0.029 -0.024 0.124 -0.082 0.016 -0.038 -0.015 0.077 -0.000 -0.000 0.001 0.172 -0.170 0.051 0.037 -0.003 -0.004 -0.372 0.037 0.061 0.008 -0.009 -0.031 -0.166 0.110 0.056 0.015 -0.004 0.007 -0.008 0.006 0.001 0.006 0.035 0.051 -0.002 -0.004 -0.001 -0.058 0.029 0.020 -0.014 0.009 -0.055 -0.018 -0.037 0.065 -0.086 0.034 0.135 0.001 -0.001 -0.006 0.040 -0.002 -0.014 0.357 -0.161 0.020 0.064 -0.038 0.001 -0.035 0.013 -0.012 -0.270 -0.085 -0.327 0.044 0.050 0.057 -0.081 0.081 -0.003 0.041 -0.050 0.123 0.352 0.265 -0.179 0.000 0.009 -0.008 -0.019 -0.007 0.010 0.008 -0.029 0.005 0.001 0.001 -0.001 0.001 0.006 -0.007 0.006 -0.004 0.002 0.123 -0.084 0.011 -0.043 0.009 -0.006 0.026 -0.054 0.134 -0.001 -0.010 0.024 -0.094 0.049 0.050 -0.124 0.056 0.036 -0.060 -0.237 0.141 -0.003 0.001 -0.000 0.050 0.205 -0.181 0.007 0.045 -0.021 0.125 -0.000 -0.014 0.016 0.032 0.035 0.035 0.037 0.285 -0.032 0.030 0.057 0.003 0.005 0.002 -0.001 0.002 0.037 0.006 -0.017 -0.006 0.023 -0.063 0.006 0.013 -0.025 -0.003 -0.095 -0.436 -0.124 0.030 0.084 0.018 -0.005 -0.002 -0.005 -0.005 -0.012 0.007 0.018 0.011 0.065 0.036 -0.050 -0.058 0.004 -0.006 -0.008 0.135 0.077 0.309 -0.003 -0.036 -0.033 0.008 0.007 -0.008 -0.059 -0.050 -0.282 0.247 0.280 -0.210 0.002 -0.002 -0.004 -0.023 0.060 -0.034 -0.006 0.013 -0.006 0.009 -0.015 -0.006 0.009 0.026 0.003 0.001 0.005 -0.000 -0.036 0.050 0.014 -0.009 0.026 0.048 0.034 -0.151 -0.109 -0.017 -0.049 -0.015 -0.174 0.103 0.020 -0.003 0.073 0.023 -0.008 0.180 -0.095 -0.000 -0.000 0.000 0.043 -0.049 0.014 -0.021 0.003 0.006 -0.257 -0.183 0.008 0.005 0.020 -0.058 -0.023 0.056 0.072 0.010 -0.042 -0.001 -0.005 -0.001 -0.000 0.015 0.037 0.052 -0.002 0.007 0.002 0.008 -0.019 0.023 -0.019 0.006 -0.034 0.012 0.047 -0.223 -0.088 0.146 -0.000 0.003 -0.004 -0.006 0.016 -0.012 0.005 0.294 0.136 -0.068 -0.026 -0.013 0.018 -0.014 -0.000 -0.000 0.096 -0.080 0.055 0.026 0.031 0.045 0.053 0.032 -0.010 0.015 -0.093 -0.391 -0.162 0.054 0.087 0.001 -0.001 0.005 -0.002 0.069 0.002 -0.032 -0.035 -0.005 0.002 0.009 0.002 -0.005 -0.019 0.034 0.004 -0.003 0.001 -0.322 0.210 0.092 0.035 -0.003 0.020 -0.040 -0.181 0.317 0.002 0.009 -0.022 0.239 -0.161 0.005 -0.104 0.140 -0.001 -0.025 0.121 -0.147 0.008 -0.005 0.001 -0.058 0.223 -0.022 0.020 0.005 -0.010 0.184 0.115 0.419 -0.106 -0.012 -0.009 -0.146 0.096 0.023 -0.015 -0.033 0.004 -0.039 0.016 0.006 0.009 -0.022 0.150 0.007 0.020 0.006 -0.040 0.010 0.042 0.069 -0.008 -0.033 -0.144 -0.294 -0.087 0.097 -0.021 -0.037 -0.017 -0.007 -0.020 0.007 -0.002 -0.003 0.158 0.363 -0.024 -0.021 0.023 -0.038 0.019 -0.010 0.008 -0.086 -0.057 -0.228 0.145 0.072 0.140 -0.108 0.031 0.139 -0.011 -0.004 0.112 -0.047 -0.076 0.085 -0.007 -0.025 -0.021 0.028 -0.028 -0.032 -0.011 -0.006 -0.060 -0.015 -0.028 0.007 0.018 0.013 0.005 -0.018 0.002 -0.002 0.099 0.045 -0.089 0.010 -0.001 0.015 -0.288 0.067 0.011 -0.010 -0.001 0.011 0.043 -0.031 0.135 0.111 -0.018 -0.033 -0.065 -0.163 0.172 0.000 -0.000 0.000 0.020 -0.398 0.151 0.006 0.043 -0.017 -0.324 0.118 0.024 0.012 -0.049 -0.037 -0.027 -0.023 -0.144 0.064 0.019 -0.011 0.001 -0.002 -0.000 -0.004 -0.011 -0.093 -0.007 0.008 0.003 -0.020 -0.048 0.028 0.003 0.038 0.008 -0.192 -0.437 -0.186 0.083 -0.192 -0.024 0.004 0.004 0.010 0.014 -0.002 -0.004 -0.185 -0.024 -0.024 -0.031 0.006 -0.049 -0.015 0.010 -0.007 0.150 0.014 -0.034 0.030 0.046 0.051 -0.063 -0.005 0.012 -0.028 -0.019 -0.081 -0.073 -0.159 0.139 0.001 -0.006 -0.001 0.018 0.001 0.027 0.013 -0.020 0.015 -0.005 0.016 0.003 -0.025 -0.007 0.026 0.004 -0.003 0.001 0.035 0.015 -0.019 0.016 0.012 0.032 0.055 0.262 0.042 0.014 0.032 -0.015 0.071 0.036 0.076 0.170 -0.178 0.012 -0.024 -0.134 0.171 0.001 -0.001 0.000 0.101 -0.253 0.028 0.003 0.008 -0.005 0.128 0.017 0.132 -0.017 0.049 0.010 -0.097 0.264 0.334 0.029 -0.000 0.027 -0.006 0.002 0.001 -0.002 0.011 0.106 0.005 0.000 0.000 0.016 -0.022 -0.009 -0.013 -0.026 -0.026 0.040 0.033 -0.007 -0.096 0.133 0.141 -0.002 -0.001 -0.010 0.020 -0.006 -0.010 0.327 -0.158 -0.005 -0.032 0.042 0.010 -0.032 0.012 -0.016 0.027 0.118 0.210 -0.023 -0.017 -0.030 -0.028 0.037 0.026 0.024 0.006 0.240 -0.323 -0.251 0.128 -0.004 -0.004 -0.001 -0.050 -0.009 -0.034 0.003 0.008 -0.012 0.001 -0.011 0.000 0.010 -0.042 0.044 -0.002 0.000 -0.000 -0.036 -0.017 -0.016 0.021 -0.015 -0.014 -0.023 -0.062 -0.239 0.003 0.026 -0.054 -0.103 0.064 -0.000 -0.139 0.121 0.137 -0.012 0.096 -0.122 0.002 0.001 0.001 -0.034 0.060 -0.020 -0.054 -0.000 0.010 -0.270 0.107 -0.022 -0.008 -0.069 -0.048 -0.173 0.230 0.259 -0.012 -0.006 -0.020 -0.010 0.011 0.002 0.016 0.010 0.016 -0.002 -0.018 -0.007 0.055 -0.005 -0.012 0.054 0.010 -0.015 -0.007 0.158 0.015 0.119 -0.155 -0.056 -0.010 -0.003 -0.005 0.044 0.000 -0.014 -0.078 0.094 0.136 0.031 0.007 0.026 0.012 -0.001 0.009 0.407 -0.033 0.283 0.096 0.032 0.059 -0.071 0.049 0.004 0.007 -0.045 0.253 0.210 0.017 -0.082 0.001 0.012 0.007 -0.055 -0.016 0.014 0.004 -0.018 0.002 0.006 -0.009 -0.007 0.017 0.059 0.061 0.000 0.002 0.003 0.181 -0.104 -0.016 -0.032 -0.003 -0.020 -0.078 0.104 0.029 -0.021 -0.037 -0.045 0.298 -0.146 -0.042 0.063 -0.185 -0.012 -0.058 -0.048 0.084 -0.004 0.003 0.003 0.083 -0.152 -0.024 0.020 -0.013 0.007 -0.124 0.233 0.023 -0.012 0.024 0.012 -0.014 -0.081 -0.049 0.018 0.009 0.005 -0.026 0.028 0.013 0.037 0.017 0.195 0.022 -0.074 -0.029 -0.018 0.009 -0.037 0.151 -0.060 -0.047 0.112 0.251 0.104 0.174 -0.205 -0.099 -0.027 -0.005 -0.024 0.001 0.000 -0.002 -0.030 0.256 0.337 -0.021 -0.017 0.034 -0.006 -0.001 -0.001 0.029 0.013 0.057 0.196 -0.023 0.046 -0.143 0.116 0.078 -0.012 0.006 -0.079 0.010 0.038 -0.014 0.007 -0.024 -0.018 0.021 0.004 0.010 0.010 0.002 -0.033 0.027 -0.071 -0.029 -0.026 -0.006 0.007 -0.006 0.013 -0.002 -0.216 0.214 -0.078 0.017 -0.008 -0.015 -0.010 -0.115 -0.032 0.008 0.008 -0.002 -0.287 0.108 0.213 0.197 -0.221 -0.028 0.020 0.081 -0.040 -0.006 0.019 0.010 0.014 0.120 -0.073 0.008 -0.002 -0.009 0.011 0.052 -0.312 0.028 0.001 -0.002 0.059 0.013 0.089 -0.036 -0.012 0.003 -0.025 0.041 0.012 0.031 0.035 0.128 0.056 -0.271 -0.101 0.011 -0.007 0.060 0.207 -0.125 -0.067 -0.040 -0.155 -0.255 0.028 -0.071 -0.058 -0.028 0.002 -0.013 -0.003 0.008 -0.001 0.070 -0.047 0.381 0.003 0.039 -0.016 0.001 -0.003 -0.004 -0.338 0.112 -0.020 0.228 -0.094 -0.011 -0.032 0.091 -0.024 -0.019 -0.034 0.087 -0.089 -0.147 0.081 -0.004 0.019 0.015 -0.029 -0.006 -0.004 0.012 0.013 -0.002 0.067 -0.138 -0.109 0.041 -0.035 -0.038 -0.006 0.019 0.002 0.061 -0.058 0.031 -0.002 0.000 0.014 0.225 0.031 0.104 -0.003 0.007 0.006 0.091 -0.141 -0.188 0.009 -0.089 -0.015 0.025 -0.021 0.122 0.004 -0.012 -0.006 -0.086 -0.020 0.002 0.016 -0.016 0.003 -0.041 0.023 0.154 -0.030 0.002 -0.008 0.117 -0.072 -0.096 0.012 0.009 0.002 0.010 -0.020 -0.006 -0.000 -0.003 0.034 -0.033 0.164 0.061 0.001 -0.045 0.004 -0.101 0.061 0.027 0.033 0.231 -0.469 0.003 0.008 0.008 0.009 -0.004 -0.004 -0.005 0.017 -0.007 0.026 0.004 -0.087 -0.006 0.002 0.050 0.004 -0.006 -0.013 -0.264 0.241 0.278 -0.114 0.039 -0.009 -0.017 0.005 0.031 -0.063 -0.098 0.049 0.435 -0.313 0.010 0.002 -0.013 0.005 0.020 -0.006 0.005 -0.000 -0.005 -0.005 -0.037 0.072 0.067 -0.020 0.043 -0.061 0.002 -0.010 -0.001 0.008 0.118 -0.012 -0.022 0.015 0.008 -0.142 0.021 0.020 0.002 -0.006 0.006 -0.005 -0.034 -0.008 0.020 0.033 -0.052 0.004 0.016 -0.043 0.007 -0.036 -0.018 0.017 0.062 -0.040 0.001 0.001 -0.002 -0.049 0.055 -0.109 -0.020 -0.016 0.005 -0.030 0.030 0.067 -0.015 -0.002 0.002 0.054 -0.054 -0.021 0.051 0.045 0.316 -0.104 0.485 0.181 0.004 0.008 0.013 -0.308 0.177 0.093 -0.003 -0.074 0.021 0.107 -0.064 -0.035 0.013 -0.021 -0.035 0.002 -0.002 0.000 -0.058 0.007 0.150 0.002 0.010 -0.010 0.002 -0.001 0.002 -0.075 -0.000 -0.049 -0.397 0.052 -0.134 -0.037 0.133 0.046 0.008 -0.009 0.017 -0.127 0.026 0.023 0.003 0.008 0.003 -0.008 0.003 -0.006 0.014 0.009 -0.009 -0.097 0.223 0.200 0.021 -0.020 0.001 0.018 -0.025 0.003 -0.008 -0.033 0.018 0.005 -0.003 0.001 0.186 -0.030 0.020 -0.001 0.001 -0.000 -0.009 -0.023 -0.065 0.132 -0.066 -0.010 0.048 -0.008 -0.035 -0.005 0.003 0.001 -0.146 0.267 -0.058 0.016 -0.011 0.002 -0.299 0.058 0.179 0.056 -0.041 -0.017 -0.184 0.189 0.196 -0.021 -0.004 0.007 0.004 -0.001 0.002 -0.046 -0.050 -0.340 0.002 -0.033 -0.012 -0.016 0.009 0.008 0.003 0.030 0.010 0.032 0.033 -0.067 0.067 -0.029 0.004 0.010 0.006 0.031 0.030 -0.006 -0.010 -0.239 0.092 -0.200 -0.011 0.017 0.008 0.020 -0.010 0.004 -0.200 0.047 -0.057 0.053 0.058 0.098 0.008 -0.127 -0.059 0.029 -0.042 0.053 -0.106 -0.096 0.066 -0.001 -0.004 -0.001 -0.030 0.001 -0.008 -0.012 -0.028 0.022 -0.000 0.007 -0.014 0.064 -0.006 -0.006 0.007 -0.001 0.001 -0.119 0.085 0.006 0.008 -0.003 -0.004 0.434 -0.208 -0.068 -0.005 -0.009 -0.004 -0.141 0.108 0.083 -0.009 -0.035 -0.044 0.001 0.002 0.028 -0.003 0.042 0.013 -0.066 0.042 0.026 0.001 0.001 0.001 -0.015 -0.032 0.004 0.104 -0.036 0.002 -0.057 0.044 -0.011 -0.004 0.000 0.002 0.009 -0.060 0.007 0.037 0.044 0.294 0.079 -0.422 -0.147 -0.008 -0.001 -0.002 -0.329 0.199 0.110 -0.009 0.016 -0.006 0.016 0.014 0.008 0.027 -0.015 -0.030 0.004 -0.006 0.003 -0.082 -0.049 -0.071 -0.006 -0.001 -0.000 0.008 -0.003 -0.004 0.037 -0.027 -0.041 -0.577 0.192 -0.214 0.013 0.094 0.090 0.003 0.029 -0.020 0.048 -0.060 0.016 -0.009 -0.001 -0.002 0.003 0.002 -0.010 -0.003 -0.004 0.006 -0.010 0.062 -0.188 0.011 0.011 0.003 -0.009 -0.022 -0.027 0.002 0.046 -0.026 -0.000 0.003 0.001 0.005 -0.008 -0.013 -0.002 -0.001 0.000 -0.005 0.027 0.072 0.022 0.021 -0.012 -0.025 -0.026 -0.064 0.002 0.010 0.003 0.055 -0.073 -0.062 0.007 -0.012 0.002 -0.086 0.025 0.139 -0.014 -0.019 -0.003 0.416 -0.194 0.161 0.007 0.003 -0.007 -0.008 -0.021 0.007 -0.003 -0.012 -0.034 0.021 -0.097 -0.033 -0.008 0.003 0.007 -0.098 0.071 0.033 0.020 0.038 -0.147 0.027 -0.011 -0.023 0.008 -0.004 -0.001 -0.012 0.055 -0.023 -0.037 0.083 -0.043 0.044 0.044 0.024 -0.004 0.002 0.011 -0.069 0.026 0.056 -0.166 0.101 -0.025 -0.015 -0.014 0.003 -0.102 -0.486 0.221 -0.285 0.365 -0.056 0.001 0.003 -0.023 -0.008 -0.013 0.002 -0.002 -0.002 -0.002 -0.013 0.026 -0.045 -0.030 -0.038 -0.018 -0.008 -0.006 -0.011 0.049 -0.140 0.114 0.004 -0.022 -0.009 -0.033 0.078 -0.020 0.004 -0.001 0.004 0.058 0.043 0.171 0.025 -0.011 -0.023 0.033 0.184 0.454 -0.003 -0.009 -0.003 -0.419 0.101 0.160 0.001 0.017 0.010 0.054 -0.074 -0.096 0.028 0.004 0.014 0.062 0.049 0.042 -0.001 0.007 0.013 0.015 0.024 -0.011 0.013 0.020 0.103 -0.021 0.092 0.031 -0.050 -0.048 -0.016 0.118 -0.085 -0.033 0.006 0.097 -0.243 -0.031 0.030 -0.020 -0.009 0.006 -0.009 -0.003 0.007 0.003 0.031 -0.069 0.074 0.020 0.010 0.010 0.022 -0.027 -0.047 0.239 -0.222 -0.238 0.196 -0.140 0.013 0.010 0.037 0.029 0.005 -0.066 0.037 0.008 0.004 0.025 -0.001 0.018 -0.027 -0.010 -0.003 -0.013 -0.001 -0.003 0.005 0.019 -0.032 0.043 0.034 0.026 0.001 0.008 0.008 0.013 -0.045 -0.192 0.121 -0.010 0.003 0.009 0.058 -0.044 -0.076 -0.007 -0.004 0.008 -0.040 0.041 0.270 -0.053 0.034 -0.051 -0.094 -0.132 -0.214 -0.001 -0.001 -0.001 0.307 -0.028 -0.106 0.011 -0.015 0.007 0.128 -0.090 -0.150 0.020 -0.008 0.016 -0.226 0.055 -0.096 0.000 0.006 -0.004 0.007 -0.000 -0.003 -0.001 -0.008 -0.052 -0.004 0.007 0.003 -0.025 0.009 -0.007 -0.028 0.014 0.012 0.018 0.089 -0.273 0.008 0.003 -0.014 0.000 -0.002 0.004 0.000 -0.020 0.015 -0.045 0.099 0.017 0.032 0.007 -0.014 -0.013 0.011 0.027 -0.059 0.038 0.049 -0.045 0.021 -0.002 0.021 -0.019 -0.049 0.110 0.217 -0.029 0.019 -0.028 0.010 0.001 0.026 -0.052 -0.000 -0.005 -0.007 0.000 0.015 -0.006 -0.002 0.021 0.002 -0.002 -0.013 0.015 0.002 0.000 0.003 -0.125 -0.429 0.239 -0.015 0.004 0.015 0.008 0.018 -0.048 0.001 0.001 0.001 0.131 0.116 0.480 0.048 -0.017 0.077 0.001 0.056 0.086 0.003 0.003 -0.001 -0.020 0.002 0.014 -0.001 0.004 0.001 0.099 0.080 -0.077 0.008 0.007 0.007 0.001 0.007 -0.001 0.005 -0.005 0.012 -0.010 -0.028 0.016 -0.043 -0.081 -0.407 0.007 -0.042 -0.008 -0.003 -0.006 0.002 -0.259 0.160 0.054 -0.002 0.005 -0.018 0.095 -0.022 -0.028 0.006 -0.022 0.025 -0.005 -0.002 0.004 0.239 0.102 0.268 -0.001 0.003 -0.001 -0.008 -0.003 -0.013 0.039 -0.037 -0.039 -0.418 0.325 0.012 -0.053 -0.078 -0.437 -0.005 0.011 -0.001 0.012 -0.020 0.009 -0.004 -0.005 0.000 -0.002 0.000 -0.000 0.019 0.075 -0.036 -0.044 0.118 -0.023 0.007 0.001 0.001 -0.002 -0.011 -0.004 0.007 0.022 -0.019 -0.000 0.000 0.002 -0.033 -0.001 0.007 -0.002 0.001 0.001 -0.018 -0.025 -0.009 0.163 -0.031 0.047 0.079 0.160 0.214 0.025 0.015 0.005 0.036 -0.036 -0.010 0.002 0.001 0.004 -0.052 0.086 0.120 -0.444 0.056 -0.005 -0.119 0.008 -0.083 0.022 0.066 -0.033 -0.124 -0.085 0.080 -0.002 0.008 0.020 0.047 -0.090 -0.037 0.005 -0.029 -0.018 -0.021 0.045 0.022 0.033 0.007 -0.092 0.002 -0.006 -0.014 0.007 -0.005 -0.005 0.007 -0.016 0.000 -0.092 0.142 -0.062 0.021 0.005 -0.011 -0.004 -0.023 -0.008 -0.032 0.027 0.081 -0.196 0.216 -0.041 0.013 -0.016 0.110 0.072 0.139 -0.003 -0.079 0.157 -0.043 0.051 0.014 0.008 0.009 0.005 0.015 -0.016 -0.021 0.008 -0.022 -0.089 -0.046 -0.070 0.022 0.012 -0.056 -0.005 -0.074 -0.159 -0.305 0.194 0.002 -0.005 0.006 -0.029 0.047 -0.007 0.013 -0.010 -0.000 -0.174 -0.072 -0.371 -0.141 0.008 -0.179 -0.033 -0.093 -0.149 0.006 0.003 0.001 -0.343 -0.011 0.135 0.004 -0.002 -0.019 -0.143 0.042 0.119 -0.099 0.011 -0.006 0.313 -0.086 0.157 -0.027 -0.104 0.054 -0.028 -0.020 0.019 -0.005 -0.012 0.014 0.009 -0.016 -0.007 0.021 0.042 0.063 -0.010 0.012 0.003 -0.011 -0.096 0.240 -0.001 -0.023 0.054 0.000 -0.001 -0.007 -0.021 -0.017 -0.026 0.111 -0.015 0.076 -0.018 -0.064 0.007 0.025 0.018 -0.010 -0.095 0.110 0.085 -0.056 0.059 -0.012 -0.048 0.035 -0.133 0.095 0.288 -0.036 0.066 -0.096 -0.016 0.011 0.011 -0.023 0.021 0.050 0.135 0.004 0.008 -0.004 -0.005 -0.017 -0.009 -0.007 0.013 -0.022 -0.013 -0.001 -0.017 -0.152 -0.185 0.110 -0.003 0.011 -0.013 -0.003 -0.021 0.071 0.001 0.000 -0.010 0.096 0.018 0.105 -0.047 -0.179 0.468 -0.002 -0.004 -0.004 0.000 -0.000 -0.000 -0.003 0.003 0.004 0.000 0.000 0.000 0.004 0.006 -0.005 -0.001 0.001 0.000 0.002 0.002 0.000 -0.002 -0.004 0.004 -0.001 -0.001 0.002 0.011 0.054 -0.043 0.000 -0.001 0.002 -0.000 -0.000 -0.001 -0.008 0.006 0.003 0.000 0.000 0.002 -0.018 -0.001 -0.011 -0.001 -0.004 -0.004 -0.000 0.000 0.000 0.012 -0.002 0.017 -0.001 -0.002 0.001 0.001 0.000 -0.000 0.001 -0.001 -0.002 -0.028 0.022 -0.007 0.102 -0.171 0.942 -0.002 -0.004 -0.001 0.002 -0.003 0.001 0.000 0.000 -0.000 0.000 -0.001 -0.000 0.001 -0.001 0.021 -0.006 0.029 -0.001 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.002 -0.002 0.001 0.000 0.000 -0.000 -0.001 -0.003 0.000 -0.000 -0.000 -0.000 -0.001 -0.000 -0.000 0.201 0.003 0.156 0.002 0.004 0.004 0.000 -0.004 -0.001 0.000 -0.001 -0.000 0.000 -0.000 -0.000 -0.001 0.001 0.003 -0.001 0.002 0.001 0.001 -0.001 0.000 0.000 0.001 -0.001 0.016 0.028 -0.011 -0.000 -0.001 0.001 -0.002 -0.039 0.056 0.000 0.000 0.001 0.011 -0.010 -0.004 0.000 -0.001 0.000 0.000 -0.000 0.001 -0.001 0.001 0.000 -0.000 -0.000 -0.000 -0.001 0.002 -0.001 0.000 0.001 -0.001 -0.000 -0.000 -0.000 -0.002 0.002 0.003 0.047 -0.046 0.008 -0.002 0.003 -0.015 0.002 0.006 0.000 -0.002 0.003 -0.001 0.000 0.000 0.000 0.000 0.001 0.001 0.000 -0.002 -0.000 -0.170 0.978 -0.026 -0.001 0.000 0.000 -0.010 0.002 -0.037 -0.001 -0.003 0.002 0.000 -0.000 0.000 -0.001 0.001 0.000 0.000 -0.000 -0.000 -0.001 -0.001 -0.003 -0.017 0.002 -0.019 -0.007 -0.021 -0.013 0.001 0.000 0.000 0.000 0.010 0.008 0.000 0.001 0.003 -0.001 0.014 -0.005 -0.021 0.003 -0.000 -0.022 0.007 -0.014 -0.004 -0.009 0.012 -0.006 -0.004 0.004 0.005 -0.016 0.015 0.001 -0.003 0.001 -0.003 -0.005 -0.014 0.005 -0.003 -0.001 0.002 0.008 -0.016 -0.045 0.013 -0.065 0.000 0.002 0.002 0.002 0.003 0.002 0.003 -0.013 -0.017 -0.000 -0.001 0.002 0.002 -0.000 0.000 0.010 -0.008 -0.010 -0.002 0.009 -0.000 -0.031 0.045 -0.222 -0.010 -0.030 0.000 0.001 0.001 0.001 0.002 0.000 0.001 -0.002 -0.008 -0.004 0.001 0.002 -0.007 -0.006 0.025 -0.002 -0.002 0.002 0.001 -0.003 -0.000 -0.004 -0.002 -0.001 0.002 0.000 0.001 0.001 0.001 -0.007 -0.005 0.000 -0.000 0.001 -0.015 -0.001 -0.019 0.416 -0.174 0.855 -0.064 -0.167 -0.144 0.009 0.004 -0.001 -0.078 -0.001 0.040 0.001 0.007 0.010 0.029 -0.024 -0.034 -0.143 0.022 0.001 -0.042 0.029 -0.024 -0.019 -0.063 0.024 -0.046 -0.032 0.036 0.002 -0.004 0.007 0.008 -0.012 0.001 -0.013 -0.018 -0.063 0.010 -0.005 -0.000 0.000 0.009 0.020 -0.039 -0.035 0.050 -0.001 0.002 -0.000 0.008 0.013 0.006 0.022 -0.014 0.036 -0.024 -0.068 0.037 0.009 0.018 0.006 0.056 -0.045 -0.066 -0.055 0.072 -0.013 -0.010 0.021 -0.095 -0.070 -0.195 -0.022 0.061 -0.095 0.027 0.011 0.006 0.001 -0.013 -0.020 -0.067 0.011 0.002 -0.003 -0.023 0.067 -0.007 0.018 -0.000 -0.000 -0.016 -0.001 -0.022 -0.066 -0.052 0.046 0.002 0.014 -0.004 0.018 -0.032 -0.007 -0.001 0.006 0.001 -0.044 0.001 -0.050 0.496 0.353 -0.634 0.018 0.047 0.036 -0.002 -0.001 0.000 0.004 0.003 0.003 0.000 -0.003 -0.005 -0.008 -0.000 0.010 0.033 -0.006 -0.001 0.010 0.008 0.004 0.003 0.014 -0.011 0.011 0.008 -0.008 0.002 -0.010 0.005 -0.002 0.002 -0.000 0.006 0.009 0.027 -0.001 0.001 -0.000 -0.001 -0.008 0.011 -0.099 -0.042 0.019 0.001 0.002 0.002 0.000 -0.005 -0.002 -0.013 0.014 0.002 0.005 0.014 -0.008 -0.001 -0.004 -0.002 -0.026 0.025 0.033 0.012 -0.008 0.007 -0.025 0.025 -0.114 0.016 0.046 0.004 -0.018 0.032 -0.009 -0.003 -0.001 -0.001 0.000 0.006 0.006 0.013 0.006 -0.010 0.005 -0.014 0.001 -0.017 0.006 0.001 0.004 0.000 0.005 0.011 0.007 -0.007 0.000 -0.003 0.000 -0.007 0.000 0.000 0.002 -0.003 -0.002 0.018 0.001 0.021 0.867 0.339 -0.302 -0.001 0.014 0.031 0.006 0.003 -0.003 0.382 0.080 -0.178 -0.008 0.010 0.020 -0.070 0.015 0.066 -0.091 0.012 0.000 0.372 -0.067 0.250 0.026 0.106 -0.049 -0.043 -0.032 0.038 -0.002 -0.005 0.007 0.004 -0.003 0.003 -0.032 -0.045 -0.106 0.004 -0.003 0.002 0.002 0.040 -0.073 -0.059 -0.022 0.008 0.005 0.002 0.001 -0.022 -0.008 -0.022 -0.059 0.025 -0.048 -0.014 -0.025 0.010 -0.023 -0.011 0.012 0.189 -0.198 -0.254 -0.082 0.106 -0.008 -0.019 0.009 -0.024 0.047 0.154 0.007 0.129 -0.260 0.064 0.006 -0.002 0.003 0.021 0.058 0.138 0.001 0.006 -0.007 -0.019 0.042 -0.003 0.291 -0.122 -0.028 -0.006 -0.002 -0.003 -0.004 0.004 -0.003 -0.009 0.009 0.000 0.032 -0.009 -0.001 -0.050 0.020 0.005 -0.059 -0.005 -0.062 0.339 0.104 -0.039 -0.114 -0.300 -0.228 -0.002 -0.001 0.001 -0.184 -0.027 0.085 0.005 0.007 0.040 -0.032 0.019 0.039 0.031 -0.005 0.001 0.039 -0.014 0.019 -0.035 -0.123 0.058 0.015 0.012 -0.014 -0.002 0.001 0.002 -0.001 0.001 -0.001 -0.052 -0.087 -0.212 -0.003 0.002 -0.001 0.027 0.153 -0.416 -0.005 -0.028 0.066 -0.001 -0.001 -0.002 -0.008 -0.023 -0.009 0.044 -0.034 0.035 0.085 0.236 -0.109 0.017 0.028 0.007 0.090 -0.082 -0.092 0.028 -0.035 0.004 -0.006 0.000 0.021 0.127 0.341 0.054 -0.148 0.247 -0.053 -0.004 -0.008 0.017 0.016 0.032 0.084 0.008 0.005 -0.001 0.006 -0.014 0.001 -0.059 0.023 0.008 0.002 0.000 0.001 0.168 0.138 -0.105 -0.006 -0.039 0.026 -0.009 0.001 0.004 0.009 -0.006 0.004 -0.136 -0.015 -0.162 0.065 0.097 -0.240 0.006 0.014 0.010 0.013 0.017 -0.043 -0.007 -0.001 0.003 -0.001 -0.002 -0.003 0.003 -0.030 -0.028 -0.046 0.003 0.015 -0.009 0.001 -0.005 0.003 0.011 -0.006 -0.235 -0.189 0.243 -0.000 0.002 0.011 0.003 0.012 0.033 0.003 0.007 0.016 0.061 -0.071 -0.006 -0.001 0.001 -0.003 -0.002 0.002 0.000 0.002 0.002 -0.001 -0.001 -0.001 0.000 -0.009 -0.036 -0.006 0.005 0.019 -0.009 -0.001 -0.001 -0.001 -0.014 0.014 0.017 -0.485 0.618 -0.071 0.003 0.005 -0.007 0.007 0.018 0.004 -0.015 0.025 -0.006 -0.004 -0.004 -0.001 0.002 0.004 0.011 -0.006 0.014 -0.001 -0.138 0.329 -0.000 -0.016 0.006 0.001 0.073 -0.027 0.219 0.062 0.072 -0.050 -0.001 -0.004 0.001 0.031 -0.017 -0.004 0.002 -0.002 -0.000 0.050 0.012 0.082 -0.039 -0.008 -0.000 -0.012 -0.029 -0.019 -0.033 0.004 -0.044 0.002 -0.003 0.001 0.007 0.002 0.007 -0.020 0.107 0.124 0.573 -0.090 0.014 0.011 -0.004 0.002 -0.029 -0.091 0.043 0.017 -0.005 0.029 0.001 -0.003 0.008 -0.010 -0.006 0.017 0.001 -0.007 -0.016 0.012 -0.014 -0.000 0.000 -0.003 0.002 -0.003 -0.003 0.002 -0.002 0.002 -0.005 0.006 0.003 0.004 0.002 0.128 -0.003 -0.003 -0.026 0.011 0.006 0.006 -0.001 0.025 -0.024 -0.028 0.001 -0.017 -0.019 -0.004 0.010 -0.047 -0.011 -0.028 -0.006 0.024 -0.040 0.008 -0.004 0.019 0.004 -0.018 -0.036 -0.092 -0.017 -0.066 0.025 -0.073 0.213 -0.004 0.040 -0.015 -0.004 0.175 -0.037 0.414 -0.226 -0.262 0.185 0.006 0.007 -0.003 -0.155 0.089 0.020 -0.003 0.003 0.001 -0.190 -0.044 -0.308 0.040 0.013 -0.008 0.000 0.000 -0.000 0.006 0.009 -0.009 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.005 0.000 -0.005 -0.017 0.003 0.004 -0.001 0.001 -0.000 0.003 0.009 -0.004 -0.048 -0.071 0.045 0.000 -0.001 -0.008 0.001 -0.009 0.000 -0.000 -0.000 -0.001 -0.043 0.056 0.003 0.000 -0.000 0.000 0.001 -0.001 -0.000 -0.002 -0.001 0.002 -0.000 -0.000 -0.001 0.007 -0.001 0.005 -0.000 -0.000 0.000 -0.001 -0.001 0.000 -0.000 0.000 0.000 0.559 -0.818 -0.013 -0.003 -0.003 0.010 -0.000 -0.001 0.000 -0.000 0.000 -0.000 -0.000 -0.001 -0.000 0.002 0.004 0.011 0.008 -0.008 -0.001 -0.006 0.028 -0.004 -0.002 0.001 0.000 0.010 -0.007 0.038 0.006 0.006 -0.005 -0.000 -0.000 0.000 0.004 -0.003 -0.001 0.000 -0.000 -0.000 0.005 0.001 0.008 0.013 0.001 0.005 -0.027 -0.072 -0.024 0.001 0.000 0.001 0.146 0.069 -0.081 -0.015 -0.009 -0.026 -0.009 0.002 0.009 -0.005 0.001 0.000 0.137 -0.004 0.128 -0.007 -0.016 0.009 -0.004 -0.004 0.003 0.000 -0.000 -0.000 -0.000 0.001 0.000 0.102 0.167 0.398 0.001 -0.001 -0.000 0.013 0.050 -0.060 0.005 -0.000 0.001 0.000 0.000 0.000 -0.007 0.004 -0.001 -0.009 0.001 -0.009 0.035 0.099 -0.044 -0.007 0.005 0.006 0.128 -0.143 -0.194 0.004 -0.005 0.000 -0.001 0.000 0.001 -0.002 -0.007 -0.007 0.065 -0.183 0.053 0.002 0.002 0.004 -0.006 -0.008 -0.022 0.001 0.002 -0.001 0.001 -0.002 0.001 -0.700 0.281 0.067 -0.004 0.001 -0.010 -0.022 -0.010 0.009 -0.009 -0.002 0.006 0.056 -0.045 -0.033 0.051 -0.017 -0.002 -0.071 0.002 -0.055 -0.034 -0.010 -0.002 -0.058 -0.146 -0.067 0.000 -0.000 0.000 -0.086 -0.031 0.043 -0.013 -0.023 -0.042 0.014 0.005 -0.006 -0.001 0.000 0.001 -0.064 0.006 -0.054 0.030 0.089 -0.042 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.156 0.251 0.602 0.001 -0.001 -0.000 0.018 0.100 -0.240 0.001 0.001 0.005 -0.000 0.001 -0.001 0.000 -0.009 -0.006 0.011 -0.011 0.005 -0.152 -0.414 0.190 0.005 -0.001 0.009 0.082 -0.046 -0.027 -0.012 0.017 0.000 0.000 0.001 -0.004 0.031 0.069 0.041 -0.093 0.156 -0.036 0.001 -0.003 0.009 0.021 0.039 0.101 -0.005 -0.018 0.007 0.000 -0.001 0.000 0.282 -0.113 -0.025 -0.001 0.000 -0.003 0.080 0.040 -0.039 0.017 0.028 -0.006 -0.034 0.011 -0.063 -0.021 0.007 0.008 -0.101 0.004 -0.080 0.020 0.005 0.009 0.038 0.097 0.066 -0.000 0.000 -0.001 0.102 0.023 -0.048 0.003 0.005 0.026 -0.039 0.003 0.022 -0.003 -0.001 -0.000 0.105 -0.019 0.069 -0.080 -0.248 0.118 0.002 0.000 -0.002 -0.000 0.000 -0.003 0.000 -0.002 -0.000 -0.072 -0.116 -0.270 -0.004 0.005 0.000 -0.007 -0.013 -0.101 -0.009 -0.007 -0.001 0.001 -0.004 0.003 -0.003 -0.000 0.024 -0.029 0.005 -0.018 -0.222 -0.599 0.272 -0.001 0.016 -0.013 -0.026 0.007 -0.013 0.043 -0.061 0.001 -0.001 -0.002 0.012 0.080 0.199 0.055 -0.087 0.071 -0.001 -0.007 -0.007 0.000 -0.065 -0.121 -0.304 0.014 0.052 -0.021 -0.001 0.003 -0.001 -0.236 0.092 0.022 0.005 -0.001 0.012 0.113 0.058 -0.052 0.018 0.045 -0.023 0.061 0.070 0.014 0.017 -0.015 -0.003 0.048 0.001 0.037 -0.037 -0.020 0.008 -0.041 -0.104 -0.108 0.001 0.000 0.000 -0.130 0.001 0.055 0.001 0.003 0.000 -0.062 0.011 0.038 -0.001 0.000 0.001 0.114 -0.039 0.049 0.182 0.564 -0.265 -0.005 -0.005 0.005 0.001 -0.002 -0.006 -0.000 0.001 0.000 -0.000 0.001 -0.004 -0.000 -0.000 0.000 0.001 0.004 -0.003 0.001 -0.009 0.023 -0.000 0.001 -0.002 0.004 0.015 0.049 0.057 -0.020 0.034 0.017 0.048 -0.024 -0.008 -0.042 0.025 0.002 -0.003 -0.002 0.004 -0.010 -0.002 -0.002 -0.001 -0.006 0.048 0.139 -0.007 0.004 0.003 -0.001 0.000 0.001 -0.003 -0.126 -0.240 -0.602 -0.002 -0.002 0.000 0.000 -0.001 0.001 0.019 -0.007 -0.004 -0.004 0.001 -0.009 -0.005 -0.001 0.004 -0.003 -0.007 -0.000 -0.006 -0.036 0.088 -0.001 0.002 -0.004 -0.000 -0.002 0.002 -0.017 -0.063 0.165 -0.017 -0.044 -0.079 -0.022 -0.008 -0.016 -0.075 0.025 0.022 0.006 0.010 0.021 0.073 0.014 -0.027 -0.134 0.015 -0.002 -0.058 0.031 -0.001 0.133 0.414 -0.196 0.170 0.159 -0.152 -0.002 -0.005 -0.003 0.016 -0.055 -0.012 -0.058 -0.093 -0.226 -0.024 0.024 0.014 -0.009 -0.026 -0.011 0.017 0.009 0.008 0.003 0.017 -0.010 -0.006 -0.011 -0.035 0.062 -0.007 0.040 -0.083 -0.226 0.104 -0.009 -0.034 0.020 -0.029 0.005 -0.012 -0.083 0.094 -0.001 -0.000 0.004 -0.060 -0.019 -0.067 0.026 -0.031 -0.001 0.009 -0.000 -0.000 -0.001 0.084 0.160 0.402 -0.064 -0.230 0.093 -0.018 0.069 -0.028 -0.220 0.089 0.021 0.139 -0.030 0.346 0.030 0.002 -0.009 0.008 0.022 -0.009 0.037 -0.042 -0.009 0.023 -0.008 -0.002 0.030 -0.008 0.012 0.081 0.029 0.009 -0.006 -0.014 -0.034 0.028 0.010 0.024 -0.032 0.012 0.009 0.005 0.005 0.012 0.055 0.044 0.007 0.410 -0.050 0.006 -0.024 0.014 0.001 0.054 0.169 -0.080 -0.255 -0.235 0.236 -0.003 -0.008 -0.013 -0.029 0.096 0.022 -0.031 -0.051 -0.123 0.031 -0.050 -0.015 -0.006 -0.015 -0.006 0.012 0.001 0.004 0.002 0.024 -0.010 -0.003 -0.006 -0.016 0.045 0.026 0.031 -0.044 -0.123 0.056 -0.004 -0.015 0.008 -0.016 0.004 -0.005 -0.101 0.139 -0.002 -0.003 0.002 -0.071 -0.007 -0.025 0.015 -0.017 0.001 0.004 -0.019 0.006 0.001 0.038 0.071 0.177 -0.079 -0.284 0.115 0.024 -0.099 0.049 -0.103 0.042 0.010 -0.211 0.049 -0.536 -0.021 -0.044 0.027 0.006 0.012 -0.005 -0.024 0.009 0.002 0.011 -0.004 -0.001 -0.016 -0.012 -0.048 0.072 0.020 0.002 -0.013 -0.031 -0.045 0.001 0.003 0.003 -0.048 0.009 0.014 0.004 0.004 0.009 -0.058 -0.057 0.031 0.156 -0.028 -0.002 -0.050 0.019 -0.013 0.067 0.203 -0.094 -0.040 -0.042 0.039 0.014 0.025 0.057 -0.005 0.013 0.003 -0.022 -0.036 -0.087 0.056 -0.036 -0.017 -0.005 -0.012 -0.006 -0.007 0.023 0.004 -0.020 -0.064 0.023 0.004 -0.005 -0.019 -0.018 -0.001 -0.048 -0.032 -0.089 0.041 -0.001 -0.018 0.011 -0.012 0.001 -0.006 0.072 -0.024 0.001 0.012 0.009 0.174 -0.020 -0.056 0.010 -0.014 -0.001 0.004 -0.004 0.009 0.004 0.039 0.078 0.199 0.213 0.769 -0.309 0.002 -0.012 0.007 -0.081 0.033 0.008 -0.027 0.006 -0.076 -0.032 -0.050 0.030 0.005 0.010 -0.003 -0.022 -0.007 -0.006 0.010 -0.002 -0.000 -0.026 -0.013 -0.058 -0.128 -0.008 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 -0.001 0.000 0.001 0.001 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.043 -0.029 0.034 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 0.685 0.485 -0.539 -0.008 -0.018 -0.003 0.000 0.000 -0.000 0.000 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 -0.004 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 0.003 -0.011 -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 -0.001 -0.002 -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 -0.016 0.057 0.020 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.008 -0.005 0.006 0.012 0.028 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 0.000 -0.000 -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 0.256 -0.912 -0.314 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 -0.024 -0.056 -0.011 0.000 -0.000 -0.002 0.000 0.000 0.000 -0.001 -0.000 0.001 0.000 0.000 -0.000 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 0.014 0.010 -0.010 0.386 0.903 0.170 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.003 0.002 0.030 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.008 0.028 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 -0.001 -0.002 -0.000 -0.006 0.005 0.062 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 -0.003 -0.001 0.002 0.012 0.027 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 0.092 -0.064 -0.991 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.001 0.003 0.001</array>
                  </module>
               </property>
               <property dictRef="cc:intensities">
                  <module cmlx:templateRef="intensities">
                     <array dataType="xsd:double"
                            dictRef="cc:frequency"
                            size="105"
                            units="nonsi:cm-1">22.455200 35.488305 51.109224 57.880282 65.703337 79.500010 86.936734 96.861074 99.008587 101.715362 106.479468 115.126204 118.377661 123.864474 126.766966 127.708497 129.784393 131.452042 136.463732 144.589548 152.151180 158.224528 161.166152 175.627272 179.238896 183.674276 185.821781 190.376981 191.256790 196.474889 197.565435 197.859926 207.628657 210.470003 212.301100 213.872226 215.829669 217.420955 218.375749 225.979312 229.828892 234.176768 251.659169 257.377136 259.941362 288.319534 296.197484 299.667504 304.427302 319.226003 327.358384 340.202451 343.591474 345.473449 354.142308 360.755950 368.690568 389.814084 397.528736 403.689288 417.332378 425.172034 436.512727 441.766065 444.171906 463.104446 473.434842 477.366638 481.468354 490.522650 493.007223 494.080946 506.246148 521.829751 524.489333 528.944414 529.317676 559.720880 574.093336 581.900370 593.447681 608.357215 651.489554 664.199322 680.536519 685.571820 698.174947 711.248978 717.428515 731.579058 736.238983 758.642447 790.924138 824.073512 835.711233 838.164586 841.441029 844.620417 857.480911 865.570769 877.910218 3607.644561 3664.400902 3684.473985 3686.907415</array>
                     <array dataType="xsd:double"
                            dictRef="cc:dipole"
                            size="105"
                            units="nonsi2:1e-40.esu2.cm2">394.106182 38.803693 127.201409 186.247419 20.097321 267.650188 995.487538 49.607199 194.663509 299.260185 33.859006 217.777115 907.022177 257.106651 84.477941 63.740737 177.738468 86.652097 366.285613 280.794777 19.941285 275.297382 202.387046 226.270892 1489.015099 550.271240 276.562707 133.817259 262.224780 434.987238 31.912027 66.578544 233.285996 251.572769 124.189491 449.116242 386.152992 679.049541 124.839241 1896.963712 135.035241 2950.613624 2177.845955 804.580539 1393.395899 2364.929439 1264.025179 460.420913 2076.136601 2310.920081 897.198578 1515.379423 8596.606512 843.714504 8295.861304 1766.891000 225.980290 575.398652 909.864107 4430.905799 9709.245306 362.088217 651.729002 244.101371 953.754712 450.878038 286.678389 207.412788 1576.673463 3170.427795 2944.555091 1970.437620 1616.315556 3120.717188 579.601560 3906.882915 1788.027202 431.042407 352.700965 564.593153 331.751509 784.224438 13852.725456 10691.331887 984.724675 355.918196 3074.770594 16304.751987 2393.247339 4927.195595 3681.151834 2362.087533 2623.162309 1883.779872 558.430397 689.110631 1296.785336 2056.256156 374.488443 400.384302 1532.572925 323.325142 173.158378 166.011993 125.439910</array>
                     <array dataType="xsd:double"
                            dictRef="cc:absortion"
                            size="105"
                            units="nonsi2:km.mole-1">2.218239 0.345173 1.629556 2.702085 0.330981 5.333506 21.692880 1.204404 4.830983 7.629807 0.903687 6.284410 26.913224 7.982486 2.684278 2.040398 5.782052 2.855121 12.528964 10.176630 0.760513 10.918273 8.175882 9.960903 66.897430 25.333968 12.881555 6.385643 12.570966 21.422080 1.580314 3.301948 12.140988 13.271864 6.608687 24.076382 20.890490 37.006749 6.833349 107.449841 7.779108 173.194550 137.378252 51.905999 90.787904 170.911122 93.845869 34.583804 158.422767 184.910365 73.619034 129.222129 740.367757 73.061446 736.406080 159.772243 20.883855 56.221760 90.661548 448.350660 1015.653627 38.588434 71.308620 27.029664 106.185656 52.337877 34.019916 24.817936 190.277561 389.811819 363.874010 244.027554 205.100139 408.189021 76.198123 517.986571 237.229443 60.474123 50.753643 82.349755 49.348438 119.585109 2262.146640 1779.952078 167.974875 61.161935 538.090159 2906.791776 430.372278 903.522845 679.329712 449.170469 520.041573 389.111600 116.977776 144.775918 273.507881 435.328260 80.489819 86.867574 337.247953 292.375710 159.046662 153.317959 115.924715</array>
                  </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">29782.6741 55297.3882 59459.0460</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="nonsi2:cal.mol-1.K-1">298.15</scalar>
                        <list cmlx:templateRef="entropy">
                           <scalar dataType="xsd:double"
                                   dictRef="cc:transl"
                                   units="nonsi2:cal.mol-1.K-1">48.418</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:rotat"
                                   units="nonsi2:cal.mol-1.K-1">39.812</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:vibrat"
                                   units="nonsi2:cal.mol-1.K-1">163.799</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">252.028</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">100.790</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">102.567</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">149.386</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">155.348</scalar>
                        </list>
                     </module>
                  </module>
               </property>
            </propertyList>
            <molecule id="finalization.0">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="-6.641466"
                        y3="-1.567735"
                        z3="-3.027409"/>
                  <atom elementType="Ta"
                        id="a2"
                        x3="-0.958996"
                        y3="-3.753148"
                        z3="-0.376802"/>
                  <atom elementType="O"
                        id="a3"
                        x3="-8.00287"
                        y3="-0.098496"
                        z3="-0.96415"/>
                  <atom elementType="Ta"
                        id="a4"
                        x3="-7.403148"
                        y3="-3.425235"
                        z3="-2.536973"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-4.522084"
                        y3="-2.34655"
                        z3="1.258955"/>
                  <atom elementType="O"
                        id="a6"
                        x3="-2.945047"
                        y3="-3.957125"
                        z3="-0.638377"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-8.133704"
                        y3="-1.078975"
                        z3="1.590994"/>
                  <atom elementType="O"
                        id="a8"
                        x3="-5.703901"
                        y3="1.093603"
                        z3="-2.275707"/>
                  <atom elementType="O"
                        id="a9"
                        x3="0.118865"
                        y3="-2.727375"
                        z3="-1.423832"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-3.161795"
                        y3="-0.187417"
                        z3="2.405249"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-0.546109"
                        y3="-5.575367"
                        z3="-1.066643"/>
                  <atom elementType="O"
                        id="a12"
                        x3="-7.817835"
                        y3="-4.099151"
                        z3="-4.149627"/>
                  <atom elementType="O"
                        id="a13"
                        x3="-1.738596"
                        y3="-1.595128"
                        z3="0.156723"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-7.80186"
                        y3="-4.920226"
                        z3="-1.299856"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-5.591912"
                        y3="-0.038953"
                        z3="0.666541"/>
                  <atom elementType="Ta"
                        id="a16"
                        x3="-3.437254"
                        y3="-0.561027"
                        z3="0.476242"/>
                  <atom elementType="Ta"
                        id="a17"
                        x3="-6.382086"
                        y3="-1.814576"
                        z3="1.980351"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-4.353929"
                        y3="-1.386408"
                        z3="-1.167327"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-8.184992"
                        y3="-6.190092"
                        z3="1.358875"/>
                  <atom elementType="Ta"
                        id="a20"
                        x3="-6.203011"
                        y3="-0.464159"
                        z3="-1.544402"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-9.024679"
                        y3="-2.488101"
                        z3="-1.939211"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-1.062682"
                        y3="-1.13301"
                        z3="-0.382191"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-2.782412"
                        y3="0.699486"
                        z3="2.556359"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-6.96624"
                        y3="-3.600517"
                        z3="2.299347"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-9.192744"
                        y3="-3.473916"
                        z3="0.64868"/>
                  <atom elementType="Ta"
                        id="a26"
                        x3="-4.776409"
                        y3="-3.448664"
                        z3="-0.525435"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-6.052857"
                        y3="-1.165927"
                        z3="3.617259"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-2.975514"
                        y3="1.029865"
                        z3="-0.159481"/>
                  <atom elementType="H"
                        id="a29"
                        x3="-0.461609"
                        y3="-5.622371"
                        z3="-2.037774"/>
                  <atom elementType="O"
                        id="a30"
                        x3="-10.696329"
                        y3="-0.96877"
                        z3="0.028593"/>
                  <atom elementType="O"
                        id="a31"
                        x3="-0.308071"
                        y3="-3.930674"
                        z3="1.295016"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-5.57992"
                        y3="-4.916488"
                        z3="0.364831"/>
                  <atom elementType="Ta"
                        id="a33"
                        x3="-7.6177"
                        y3="-4.641594"
                        z3="0.650453"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-6.689733"
                        y3="-2.486677"
                        z3="-0.326586"/>
                  <atom elementType="Ta"
                        id="a35"
                        x3="-9.035566"
                        y3="-1.636889"
                        z3="-0.128934"/>
                  <atom elementType="O"
                        id="a36"
                        x3="-5.409451"
                        y3="-3.875704"
                        z3="-2.277344"/>
                  <atom elementType="H"
                        id="a37"
                        x3="-5.841764"
                        y3="0.854729"
                        z3="0.973073"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a20" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a31" order="S"/>
                  <bond atomRefs2="a3 a35" order="S"/>
                  <bond atomRefs2="a3 a20" order="S"/>
                  <bond atomRefs2="a4 a36" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a26" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a10 a16" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a17 a24" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a33" order="S"/>
                  <bond atomRefs2="a21 a35" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
               </bondArray>
               <formula concise="H4O25Ta8"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1847.568199999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/3H2O.HO.21O.8Ta/h3*1H2;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:10;11;13;15;1;3;5;6;7;8;9;12;14;18;19;21;24;25;27;28;30;31;32;34;36;4;17;20;26;33;35;2;16/CRV:;;;1.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:37OTaOTaO3OOO1O1OOO1OOO4TaTaO3O1TaOHHOOTaO1O1HO1O1OTaO1TaOH/rB:;;s1;;s2;;;s2;;s2;s4;;s4;;s5s10s13s15;s5s7s15;s16;;s1s3s8s15s18;s4;s13;s10;s17;;s5s6s18;s17;s16;s11;;s2;s26;s14s19s24s25s32;s26;s3s7s21s25s30;s4s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198</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">-5.760 -5.732 -5.681 -5.611 -5.596 -5.582 -5.481 -5.468 -5.368 -5.358 -1.237 -0.975 -0.883 -0.833 -0.710 -0.630 -0.555 -0.458 -0.341 -0.089</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">0.00000000037175</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00027732892204</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00022042487163</scalar>
               </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="37">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="37">O Ta O Ta O O O O O O O O O O O Ta Ta O O Ta O H H O O Ta O O H O O O Ta O Ta O H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="37">-1.0214 2.1285 -1.0342 2.1255 -1.1302 -1.0608 -1.0383 -0.9350 -1.0052 -0.8205 -0.8635 -0.9533 -0.9028 -1.0300 -0.9554 2.3848 2.2115 -1.1285 -0.9512 2.2131 -1.0304 0.2869 0.2819 -1.0231 -1.0290 2.3897 -0.9370 -0.8857 0.2894 -0.9558 -0.9812 -1.0137 2.1246 -1.1919 2.1411 -1.0216 0.3228</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="37">1.9341 2.1252 1.9317 2.1272 1.9280 1.9257 1.9309 1.9418 1.9380 1.8810 1.8727 1.9398 1.8742 1.9304 1.8545 2.1200 2.1225 1.9289 1.9404 2.1189 1.9301 0.6044 0.6066 1.9334 1.9304 2.1098 1.9413 1.9499 0.6023 1.9393 1.9399 1.9362 2.1261 1.9149 2.1192 1.9351 0.5837</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="37">5.0589 6.1093 5.0750 6.1002 5.1763 5.1122 5.0803 4.9664 5.0420 4.9088 4.9619 4.9875 4.9981 5.0728 5.0681 6.0762 6.0698 5.1714 4.9846 6.0695 5.0736 0.1087 0.1115 5.0613 5.0718 6.0720 4.9689 4.9057 0.1083 4.9907 5.0155 5.0487 6.1002 5.2525 6.1007 5.0584 0.0935</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="37">0.0284 2.6062 0.0276 2.6134 0.0259 0.0229 0.0271 0.0268 0.0252 0.0308 0.0290 0.0260 0.0306 0.0268 0.0327 2.3847 2.5632 0.0283 0.0262 2.5653 0.0266 0.0000 0.0000 0.0283 0.0269 2.3919 0.0268 0.0301 0.0000 0.0259 0.0258 0.0288 2.6155 0.0244 2.6050 0.0281 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="37">0.0000 14.0308 0.0000 14.0338 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0343 14.0330 0.0000 0.0000 14.0331 0.0000 0.0000 0.0000 0.0000 0.0000 14.0366 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0336 0.0000 14.0340 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="37">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="37">O Ta O Ta O O O O O O O O O O O Ta Ta O O Ta O H H O O Ta O O H O O O Ta O Ta O H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="37">-1.047353 2.280306 -1.055168 2.301571 -1.089479 -1.051870 -1.059449 -1.021279 -1.042273 -0.636402 -0.667706 -1.045371 -0.669195 -1.064896 -0.693173 2.363870 2.287244 -1.083761 -1.041655 2.282734 -1.066288 0.066295 0.072041 -1.049929 -1.063566 2.341357 -1.020567 -0.940304 0.071441 -1.049162 -1.048404 -1.036343 2.298754 -1.184232 2.312832 -1.043824 0.093203</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="37">-0.903618 1.834215 -0.893182 1.832330 -0.794569 -0.772196 -0.895551 -0.943768 -0.987916 -0.841437 -0.898774 -0.969952 -0.811714 -0.899272 -0.814996 1.850892 1.801570 -0.785479 -0.964386 1.796715 -0.908547 0.353204 0.371238 -0.904177 -0.905329 1.719861 -0.940198 -0.844951 0.377583 -0.978525 -0.960276 -0.885084 1.832975 -0.594609 1.834112 -0.889346 0.383156</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="37">-0.931366 2.090590 -0.941428 1.916689 -0.915184 -0.825600 -0.956540 -0.915157 -1.060983 -0.863344 -0.953317 -0.929343 -1.014012 -0.967733 -0.837867 2.013756 1.859078 -0.931707 -0.925773 1.854745 -0.972107 0.469935 0.389721 -0.945697 -0.967921 1.811341 -0.909373 -0.862869 0.393322 -0.931270 -0.984486 -0.896317 1.922993 -0.703138 1.926679 -0.913983 0.407666</array>
                  </list>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-798.58665163 -494.99769793 -70.51531037 287.55995175 -0.07184921 511.02669988</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-236.0534</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">279.4622</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-28.9381</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-291.5797</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-48.3151</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-325.4240</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">May11-2021 13:51:58  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">May11-2021 13:51:59  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">May11-2021 13:51:59  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">May11-2021 13:52:00  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tantalum (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">May11-2021 13:52:02  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">May11-2021 13:52:02  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Oxygen (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">May11-2021 13:52:04  Nodes: 2  Procs: 48</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-6</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.92288905</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.93542690</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.94922162</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95300482</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95632040</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95714281</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95777085</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95804901</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95823556</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95838981</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95847678</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95859896</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95871351</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95881832</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95901414</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95902202</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95907439</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95909838</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95910636</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-11.95911228</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
