<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        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:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <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">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2020-01-18T21:16:00.000+01:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.707869219</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.707869219</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.2846449"
                        xFract="0.16666667"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.2846449"
                        xFract="0.16666667"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.2846449"
                        xFract="0.16666667"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="3.85393461"
                        xFract="0.5000"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.85393461"
                        xFract="0.5000"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="3.85393461"
                        xFract="0.5000"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.42322432"
                        xFract="0.83333333"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.42322432"
                        xFract="0.83333333"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.42322432"
                        xFract="0.83333333"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.56928971"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="2.56928971"
                        xFract="0.33333333"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="2.56928971"
                        xFract="0.33333333"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.13857951"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.13857951"
                        xFract="0.66666667"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="5.13857951"
                        xFract="0.66666667"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.28090581"
                        xFract="0.16618157"
                        y3="1.28967736"
                        yFract="0.16731957"
                        z3="5.4265476"
                        zFract="0.27132738"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="1.28740547"
                        xFract="0.16702482"
                        y3="3.8489507"
                        yFract="0.4993534"
                        z3="5.4197918"
                        zFract="0.27098959"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="1.30930322"
                        xFract="0.16986578"
                        y3="6.41164456"
                        yFract="0.831831"
                        z3="5.447694"
                        zFract="0.2723847"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.85578596"
                        xFract="0.50024019"
                        y3="1.32427529"
                        yFract="0.17180822"
                        z3="5.470164"
                        zFract="0.2735082"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="3.83864073"
                        xFract="0.49801581"
                        y3="3.83683401"
                        yFract="0.49778141"
                        z3="5.4227086"
                        zFract="0.27113543"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.86383036"
                        xFract="0.50128385"
                        y3="6.41413389"
                        yFract="0.83215396"
                        z3="5.4618436"
                        zFract="0.27309218"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.40666165"
                        xFract="0.83118453"
                        y3="1.303822"
                        yFract="0.16915466"
                        z3="5.4550812"
                        zFract="0.27275406"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.43732834"
                        xFract="0.83516315"
                        y3="3.84346594"
                        yFract="0.49864182"
                        z3="5.4186778"
                        zFract="0.27093389"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.4169697"
                        xFract="0.83252187"
                        y3="6.41507996"
                        yFract="0.8322767"
                        z3="5.443567"
                        zFract="0.27217835"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.69837729"
                        xFract="0.99876854"
                        y3="7.68322277"
                        yFract="0.99680243"
                        z3="7.193035"
                        zFract="0.35965175"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="7.70013445"
                        xFract="0.99899651"
                        y3="2.53616746"
                        yFract="0.32903613"
                        z3="7.2330322"
                        zFract="0.36165161"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0280494"
                        xFract="0.00363906"
                        y3="5.13627478"
                        yFract="0.66636766"
                        z3="7.1597662"
                        zFract="0.35798831"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.55459528"
                        xFract="0.33142691"
                        y3="0.00157002"
                        yFract="0.00020369"
                        z3="7.1802818"
                        zFract="0.35901409"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.44206046"
                        xFract="0.31682692"
                        y3="2.54889885"
                        yFract="0.33068787"
                        z3="7.2503264"
                        zFract="0.36251632"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.60312726"
                        xFract="0.33772333"
                        y3="5.14685174"
                        yFract="0.66773989"
                        z3="7.2784736"
                        zFract="0.36392368"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="5.14460205"
                        xFract="0.66744802"
                        y3="0.01307948"
                        yFract="0.0016969"
                        z3="7.1874726"
                        zFract="0.35937363"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.22231487"
                        xFract="0.67753029"
                        y3="2.61348078"
                        yFract="0.33906657"
                        z3="7.3079884"
                        zFract="0.36539942"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.19656203"
                        xFract="0.67418918"
                        y3="5.13608192"
                        yFract="0.66634264"
                        z3="7.2551918"
                        zFract="0.36275959"/>
                  <atom elementType="C"
                        id="a37"
                        x3="4.594091"
                        xFract="0.59602607"
                        y3="3.86114887"
                        yFract="0.50093596"
                        z3="8.7805842"
                        zFract="0.43902921"/>
                  <atom elementType="C"
                        id="a38"
                        x3="3.16153101"
                        xFract="0.41016926"
                        y3="3.85378169"
                        yFract="0.49998016"
                        z3="8.7873014"
                        zFract="0.43936507"/>
                  <atom elementType="C"
                        id="a39"
                        x3="2.1836348"
                        xFract="0.28329941"
                        y3="3.79669767"
                        yFract="0.49257422"
                        z3="9.9552308"
                        zFract="0.49776154"/>
                  <atom elementType="C"
                        id="a40"
                        x3="2.40052576"
                        xFract="0.31143831"
                        y3="2.53375096"
                        yFract="0.32872262"
                        z3="9.1887526"
                        zFract="0.45943763"/>
                  <atom elementType="H"
                        id="a41"
                        x3="6.18061706"
                        xFract="0.80185806"
                        y3="4.06157913"
                        yFract="0.52693929"
                        z3="9.7931754"
                        zFract="0.48965877"/>
                  <atom elementType="H"
                        id="a42"
                        x3="1.26106498"
                        xFract="0.16360747"
                        y3="4.36541447"
                        yFract="0.56635814"
                        z3="9.7866126"
                        zFract="0.48933063"/>
                  <atom elementType="H"
                        id="a43"
                        x3="2.58830233"
                        xFract="0.33579998"
                        y3="3.86559901"
                        yFract="0.50151331"
                        z3="10.970821"
                        zFract="0.54854105"/>
                  <atom elementType="H"
                        id="a44"
                        x3="3.01483832"
                        xFract="0.39113771"
                        y3="1.77522372"
                        yFract="0.23031316"
                        z3="9.6853732"
                        zFract="0.48426866"/>
                  <atom elementType="O"
                        id="a45"
                        x3="5.21425637"
                        xFract="0.6764848"
                        y3="4.08747256"
                        yFract="0.53029864"
                        z3="9.9668532"
                        zFract="0.49834266"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a22 a35" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a38" order="S"/>
                  <bond atomRefs2="a32 a40" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
               </bondArray>
               <formula concise="C4H4Cu36O">
                  <atomArray count="4 4 36 1" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2351.6982</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C4H4O.36Cu/c5-3-4-1-2-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,5H,2H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:40,39,37,38,45;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/CRV:1.3,3.2,4.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:45CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCC5CCHHHHO/rB:s1;s2;s1;s2s4;s3s5;s4;s5s7;s6s8;s1;s1s2s10;s2s3s11;s1s4s10;s1s2s4s5s11s13;s2s3s5s6s12s14;s4s7s13;s4s5s7s8s14s16;s5s6s8s9s15s17;s10s11s13s14;s11s12s14s15s19;s12s15s20;s13s14s16s17s19;s14s15s17s18s20s22;s15s18s21s23;s16s17s22;s17s18s23s25;s18s24s26;s27;s25s26;s20s21;s19s22;s19s20s22s23s31;s20s21s23s24s30s32;s22s25s31;s22s23s25s26s29s34;s23s24s26s27s33s35;s35s36;s32s33s37;s38;s32s38s39;;s39;s39;s40;s37s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-02</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.5E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">422.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="4">PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Cu C H O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">63.55 12.01 1.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.00 4.00 1.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">36 4 4 1</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">7.707869219 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 7.707869219 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 20.000000000</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2400">-22.8822 -17.4121 -13.3607 -10.6098 -9.7781 -8.4407 -8.2011 -7.7847 -6.8021 -6.3754 -6.2281 -5.8958 -5.8766 -5.8447 -5.8196 -5.0712 -4.9263 -4.7997 -4.7753 -4.6896 -4.5887 -4.5747 -4.4129 -4.4019 -4.3879 -4.3140 -4.2495 -4.0403 -3.9719 -3.8697 -3.8612 -3.7874 -3.6931 -3.6758 -3.6714 -3.6671 -3.6411 -3.6300 -3.5988 -3.5954 -3.5770 -3.5558 -3.5257 -3.5234 -3.5208 -3.5177 -3.5055 -3.4894 -3.4891 -3.4727 -3.4578 -3.4330 -3.3961 -3.3482 -3.2890 -3.2480 -3.1745 -3.1654 -3.1468 -3.1209 -3.0888 -3.0426 -3.0375 -3.0167 -3.0137 -2.9824 -2.9573 -2.9394 -2.8792 -2.8649 -2.8605 -2.8213 -2.7871 -2.7492 -2.7165 -2.6913 -2.6758 -2.6668 -2.6487 -2.6250 -2.6090 -2.5785 -2.5647 -2.5456 -2.5395 -2.5165 -2.5148 -2.5032 -2.5001 -2.4943 -2.4771 -2.4746 -2.4608 -2.4463 -2.4253 -2.4096 -2.4007 -2.3838 -2.3772 -2.3693 -2.3540 -2.3490 -2.3421 -2.3353 -2.3308 -2.3256 -2.3137 -2.2729 -2.2724 -2.2711 -2.2693 -2.2640 -2.1903 -2.1153 -2.0979 -2.0461 -2.0168 -1.9855 -1.9706 -1.9675 -1.9522 -1.9444 -1.9325 -1.9071 -1.9010 -1.8853 -1.8780 -1.8745 -1.8652 -1.8642 -1.8521 -1.8254 -1.8117 -1.8033 -1.7876 -1.7713 -1.7578 -1.7495 -1.7223 -1.6966 -1.6925 -1.6788 -1.6734 -1.6597 -1.6456 -1.6358 -1.6297 -1.6112 -1.6068 -1.6050 -1.6045 -1.6021 -1.5965 -1.5873 -1.5534 -1.5430 -1.5351 -1.4870 -1.4814 -1.4766 -1.4736 -1.4699 -1.4545 -1.4442 -1.4411 -1.4371 -1.4293 -1.4135 -1.4076 -1.3885 -1.3829 -1.3567 -1.3370 -1.3346 -1.3274 -1.3237 -1.3132 -1.3051 -1.2943 -1.2910 -1.2905 -1.2838 -1.2757 -1.2559 -1.2537 -1.2453 -1.2415 -1.1925 -1.1830 -1.1688 -1.1549 -1.1255 -1.1100 -1.1032 -1.0995 -1.0936 -1.0867 -1.0810 -1.0757 -1.0666 -1.0563 -1.0498 -1.0335 -0.9772 -0.8755 -0.7497 -0.6673 -0.5473 -0.2487 -0.0255 0.0102 0.2412 0.2955 0.4935 0.6660 0.9351 1.0827 1.3714 1.4945 1.8667 2.4462 2.5506 2.6290 2.6568 3.0638 3.1845 3.3484 3.5982 3.9888 4.3380 4.4340 4.4444 4.4659 4.5787 4.6836 4.7691 4.9089 5.0677 5.1142 5.1498 -22.8822 -17.4130 -13.3551 -10.6238 -9.7685 -8.4033 -8.0851 -7.7573 -6.9436 -6.6787 -6.2645 -6.1993 -5.7345 -5.7131 -5.4001 -5.0219 -4.9457 -4.8789 -4.8201 -4.7568 -4.6527 -4.5852 -4.4489 -4.4009 -4.1955 -4.1405 -4.1164 -4.0660 -3.9869 -3.9248 -3.9107 -3.8268 -3.8157 -3.7955 -3.7492 -3.7399 -3.6986 -3.6634 -3.6416 -3.6194 -3.5952 -3.5888 -3.5443 -3.4949 -3.4823 -3.4728 -3.4610 -3.4294 -3.4221 -3.4165 -3.4047 -3.3748 -3.3393 -3.2973 -3.2620 -3.2395 -3.2231 -3.1828 -3.1766 -3.1603 -3.1211 -3.0632 -3.0083 -2.9840 -2.9646 -2.9462 -2.9340 -2.9159 -2.9052 -2.8889 -2.8697 -2.8382 -2.8077 -2.8001 -2.7861 -2.7553 -2.7370 -2.7036 -2.6929 -2.6770 -2.6622 -2.6390 -2.6089 -2.5909 -2.5814 -2.5505 -2.5272 -2.5152 -2.4946 -2.4824 -2.4728 -2.4527 -2.4440 -2.4355 -2.4250 -2.4135 -2.4037 -2.4008 -2.3918 -2.3775 -2.3637 -2.3441 -2.3291 -2.3239 -2.3182 -2.3108 -2.2993 -2.2778 -2.2685 -2.2375 -2.2176 -2.2067 -2.1935 -2.1486 -2.1287 -2.1049 -2.0546 -2.0342 -2.0054 -1.9947 -1.9866 -1.9628 -1.9501 -1.9405 -1.9175 -1.9124 -1.9054 -1.8937 -1.8798 -1.8681 -1.8641 -1.8397 -1.8233 -1.8220 -1.8179 -1.8052 -1.7782 -1.7512 -1.7404 -1.7197 -1.7078 -1.6984 -1.6924 -1.6817 -1.6730 -1.6628 -1.6558 -1.6291 -1.6241 -1.6139 -1.5960 -1.5760 -1.5625 -1.5468 -1.5345 -1.5265 -1.5210 -1.5031 -1.4925 -1.4782 -1.4705 -1.4657 -1.4497 -1.4382 -1.4235 -1.4093 -1.4017 -1.3948 -1.3814 -1.3541 -1.3522 -1.3422 -1.3391 -1.3254 -1.3240 -1.3183 -1.3104 -1.3029 -1.2908 -1.2864 -1.2780 -1.2498 -1.2434 -1.2380 -1.2290 -1.2227 -1.1792 -1.1728 -1.1581 -1.1531 -1.1450 -1.1250 -1.1091 -1.0977 -1.0857 -1.0769 -1.0734 -1.0639 -1.0429 -1.0319 -1.0279 -1.0095 -0.9821 -0.9454 -0.7867 -0.6561 -0.3993 -0.2780 -0.0608 0.1188 0.2177 0.2660 0.3129 0.6323 0.8847 1.1534 1.3323 1.6565 1.7246 1.7869 1.9143 2.1623 2.2527 2.5070 3.1364 3.2186 3.5623 3.6007 3.7697 3.8761 3.9276 4.0026 4.0742 4.3710 4.5307 4.6056 4.6903 4.8237 5.0074 5.1704 -22.8822 -17.4139 -13.3495 -10.6375 -9.7593 -8.3749 -7.8509 -7.6471 -7.4812 -6.7740 -6.1928 -5.9834 -5.8510 -5.4222 -5.3807 -5.3497 -5.3236 -4.9317 -4.7383 -4.4596 -4.4037 -4.3739 -4.3539 -4.3483 -4.3148 -4.2601 -4.1511 -4.0254 -3.9717 -3.9584 -3.9483 -3.9418 -3.9200 -3.8748 -3.7096 -3.7044 -3.6790 -3.6707 -3.6614 -3.6357 -3.6272 -3.6201 -3.6104 -3.5769 -3.5374 -3.5045 -3.4581 -3.4032 -3.3416 -3.3150 -3.3062 -3.2897 -3.2667 -3.2286 -3.2204 -3.2045 -3.1943 -3.1849 -3.1752 -3.1697 -3.1473 -3.1125 -3.0407 -3.0308 -3.0094 -2.9964 -2.9906 -2.9873 -2.9548 -2.9059 -2.8284 -2.8190 -2.8107 -2.7958 -2.7901 -2.7655 -2.7573 -2.7409 -2.7361 -2.7336 -2.7262 -2.7085 -2.6473 -2.6013 -2.5718 -2.5638 -2.5240 -2.5071 -2.4936 -2.4782 -2.4560 -2.4488 -2.4370 -2.4314 -2.4232 -2.4167 -2.4118 -2.4095 -2.3974 -2.3835 -2.3754 -2.3589 -2.3534 -2.3397 -2.3199 -2.3136 -2.2851 -2.2486 -2.2438 -2.2274 -2.1869 -2.1607 -2.1401 -2.1140 -2.0973 -2.0850 -2.0795 -2.0750 -2.0713 -2.0598 -2.0485 -2.0359 -2.0156 -1.9916 -1.9756 -1.9681 -1.9560 -1.9415 -1.9061 -1.8969 -1.8894 -1.8795 -1.8673 -1.8513 -1.8102 -1.7743 -1.7715 -1.7501 -1.7370 -1.7323 -1.7109 -1.6944 -1.6850 -1.6810 -1.6682 -1.6644 -1.6608 -1.6359 -1.6341 -1.6060 -1.5808 -1.5656 -1.5477 -1.5248 -1.5141 -1.4986 -1.4912 -1.4867 -1.4735 -1.4710 -1.4672 -1.4523 -1.4449 -1.4346 -1.4278 -1.4189 -1.4148 -1.4040 -1.3998 -1.3976 -1.3774 -1.3642 -1.3414 -1.3363 -1.3281 -1.3187 -1.3019 -1.2945 -1.2771 -1.2656 -1.2479 -1.2442 -1.2369 -1.2357 -1.2190 -1.2010 -1.1919 -1.1713 -1.1538 -1.1374 -1.1339 -1.1237 -1.1189 -1.1152 -1.1054 -1.0971 -1.0547 -1.0370 -1.0326 -0.9853 -0.9790 -0.8582 -0.8211 -0.7776 -0.6523 -0.4296 -0.0784 -0.0594 0.0240 0.1363 0.3970 0.5128 0.6740 0.8329 0.8981 1.1084 1.3848 1.6541 1.7350 1.7870 1.8310 2.0055 2.1731 2.6171 3.0147 3.2246 3.2653 3.3316 3.3871 3.4341 3.6607 3.7026 3.8900 4.1412 4.2855 4.6562 4.7625 4.8656 4.9199 5.0001 -22.8822 -17.4120 -13.3607 -10.6101 -9.7793 -8.4057 -8.0919 -7.7689 -6.8628 -6.7358 -6.2910 -6.1248 -5.7667 -5.7265 -5.3554 -5.0419 -4.9644 -4.8922 -4.8436 -4.7466 -4.6337 -4.5147 -4.4981 -4.3971 -4.1897 -4.1380 -4.1153 -4.0270 -3.9716 -3.9392 -3.9117 -3.8778 -3.8461 -3.8081 -3.7629 -3.7381 -3.6749 -3.6548 -3.6388 -3.6241 -3.6079 -3.5676 -3.5621 -3.5172 -3.5037 -3.4802 -3.4626 -3.4516 -3.4402 -3.4141 -3.3890 -3.3660 -3.3358 -3.2991 -3.2514 -3.2445 -3.2338 -3.1820 -3.1731 -3.1578 -3.1245 -3.0152 -3.0063 -2.9875 -2.9738 -2.9620 -2.9414 -2.9218 -2.9123 -2.8938 -2.8528 -2.8152 -2.8061 -2.7929 -2.7862 -2.7775 -2.7374 -2.7158 -2.6865 -2.6741 -2.6514 -2.6361 -2.6132 -2.5983 -2.5810 -2.5491 -2.5331 -2.5063 -2.4838 -2.4709 -2.4591 -2.4475 -2.4347 -2.4233 -2.4140 -2.4126 -2.4096 -2.3973 -2.3865 -2.3781 -2.3627 -2.3415 -2.3318 -2.3278 -2.3147 -2.3031 -2.2833 -2.2691 -2.2404 -2.2302 -2.2266 -2.2011 -2.1855 -2.1645 -2.1306 -2.0945 -2.0510 -2.0268 -2.0075 -1.9954 -1.9858 -1.9718 -1.9413 -1.9283 -1.9179 -1.9120 -1.9088 -1.8922 -1.8849 -1.8736 -1.8618 -1.8395 -1.8231 -1.8204 -1.8179 -1.8084 -1.7878 -1.7731 -1.7550 -1.7416 -1.7180 -1.7031 -1.6893 -1.6859 -1.6699 -1.6651 -1.6506 -1.6407 -1.6283 -1.6106 -1.5932 -1.5763 -1.5616 -1.5441 -1.5292 -1.5246 -1.5144 -1.5047 -1.4886 -1.4821 -1.4716 -1.4605 -1.4528 -1.4267 -1.4176 -1.4135 -1.3955 -1.3869 -1.3782 -1.3578 -1.3546 -1.3490 -1.3404 -1.3298 -1.3229 -1.3192 -1.3112 -1.3084 -1.2944 -1.2864 -1.2650 -1.2453 -1.2406 -1.2326 -1.2265 -1.2185 -1.1898 -1.1771 -1.1692 -1.1527 -1.1312 -1.1282 -1.1157 -1.1061 -1.0930 -1.0866 -1.0795 -1.0680 -1.0623 -1.0355 -1.0320 -1.0252 -1.0134 -0.8376 -0.7828 -0.6953 -0.4226 -0.2481 -0.0868 0.0874 0.1858 0.2387 0.4729 0.6431 0.8208 1.0434 1.3413 1.6304 1.7378 1.8238 1.9635 2.1677 2.2826 2.3762 3.1491 3.3578 3.5904 3.6162 3.6576 3.8202 3.9112 3.9943 4.1175 4.4361 4.4610 4.6334 4.6660 4.7231 4.8168 5.2315 -22.8822 -17.4129 -13.3551 -10.6240 -9.7701 -8.3839 -7.9745 -7.7284 -6.8688 -6.6887 -6.5800 -6.2118 -6.0819 -5.5887 -5.2945 -5.2296 -4.9642 -4.8506 -4.7728 -4.6639 -4.4428 -4.3657 -4.3327 -4.2911 -4.2533 -4.2123 -4.1373 -4.0806 -4.0084 -3.9715 -3.9097 -3.8314 -3.8147 -3.7832 -3.7430 -3.7113 -3.7052 -3.6883 -3.6408 -3.6258 -3.6066 -3.5929 -3.5867 -3.5777 -3.5591 -3.5153 -3.4648 -3.4446 -3.4149 -3.3935 -3.3774 -3.3670 -3.3417 -3.3154 -3.2569 -3.2350 -3.2132 -3.1862 -3.1525 -3.0786 -3.0659 -3.0479 -3.0173 -3.0045 -2.9972 -2.9825 -2.9487 -2.9421 -2.9360 -2.9098 -2.8893 -2.8367 -2.8202 -2.8077 -2.7889 -2.7793 -2.7732 -2.7234 -2.6930 -2.6628 -2.6591 -2.6377 -2.6092 -2.6020 -2.5910 -2.5831 -2.5684 -2.5490 -2.5281 -2.5148 -2.4863 -2.4646 -2.4538 -2.4473 -2.4361 -2.4229 -2.4134 -2.3987 -2.3900 -2.3819 -2.3678 -2.3438 -2.3293 -2.3093 -2.2976 -2.2903 -2.2708 -2.2666 -2.2452 -2.2359 -2.2198 -2.2064 -2.1914 -2.1632 -2.1326 -2.0870 -2.0409 -2.0274 -2.0238 -2.0106 -2.0062 -1.9892 -1.9579 -1.9514 -1.9395 -1.9292 -1.9202 -1.9128 -1.8985 -1.8844 -1.8690 -1.8643 -1.8377 -1.8328 -1.8296 -1.8200 -1.8134 -1.7993 -1.7970 -1.7933 -1.7826 -1.7560 -1.7443 -1.7334 -1.7251 -1.7124 -1.7034 -1.6814 -1.6707 -1.6309 -1.6006 -1.5925 -1.5900 -1.5715 -1.5650 -1.5486 -1.5343 -1.5254 -1.5038 -1.4931 -1.4757 -1.4451 -1.4251 -1.4203 -1.4040 -1.4001 -1.3864 -1.3809 -1.3639 -1.3545 -1.3497 -1.3348 -1.3240 -1.3093 -1.2958 -1.2885 -1.2744 -1.2657 -1.2502 -1.2393 -1.2378 -1.2310 -1.2244 -1.2188 -1.2069 -1.2041 -1.1924 -1.1746 -1.1689 -1.1626 -1.1291 -1.1207 -1.1170 -1.1033 -1.0887 -1.0750 -1.0691 -1.0419 -0.9348 -0.8664 -0.8600 -0.7601 -0.7281 -0.6790 -0.5735 -0.4784 -0.3534 -0.3366 -0.1311 0.0985 0.3063 0.6514 0.7650 0.9221 0.9846 1.0710 1.2317 1.5088 1.7157 1.8917 1.9929 2.0470 2.3390 2.5975 2.8868 2.9832 2.9904 3.1167 3.2806 3.5371 3.6549 3.7898 3.9678 3.9976 4.0561 4.4384 4.6302 4.8184 4.8498 5.0016 -22.8822 -17.4139 -13.3494 -10.6378 -9.7608 -8.3678 -7.8298 -7.4951 -7.3548 -6.7617 -6.3261 -6.2551 -6.0695 -5.8458 -5.7225 -4.9822 -4.9394 -4.8076 -4.6362 -4.5497 -4.4883 -4.3647 -4.2998 -4.2269 -4.1586 -4.0972 -4.0824 -4.0655 -4.0135 -3.9411 -3.8988 -3.8645 -3.8567 -3.8296 -3.7400 -3.7263 -3.7125 -3.6840 -3.6769 -3.6532 -3.6296 -3.6206 -3.5939 -3.5831 -3.5488 -3.5018 -3.4854 -3.4636 -3.4460 -3.4132 -3.3882 -3.3257 -3.2904 -3.2800 -3.2702 -3.2554 -3.1817 -3.1707 -3.1530 -3.1176 -3.1074 -3.0825 -3.0465 -3.0364 -3.0234 -2.9945 -2.9417 -2.9208 -2.9176 -2.8744 -2.8475 -2.8359 -2.8244 -2.8117 -2.8002 -2.7947 -2.7796 -2.7627 -2.7557 -2.7352 -2.7037 -2.6897 -2.6549 -2.6198 -2.6026 -2.5722 -2.5444 -2.5379 -2.5128 -2.5067 -2.4859 -2.4777 -2.4703 -2.4648 -2.4532 -2.4264 -2.4018 -2.3981 -2.3815 -2.3739 -2.3665 -2.3571 -2.3476 -2.3416 -2.3205 -2.3016 -2.2892 -2.2558 -2.2463 -2.2053 -2.1838 -2.1602 -2.1416 -2.1249 -2.1135 -2.0993 -2.0871 -2.0751 -2.0677 -2.0600 -2.0430 -2.0285 -2.0206 -2.0062 -1.9855 -1.9790 -1.9568 -1.9374 -1.9224 -1.9168 -1.8995 -1.8867 -1.8726 -1.8672 -1.8603 -1.8437 -1.8239 -1.8168 -1.7966 -1.7929 -1.7883 -1.7777 -1.7603 -1.7455 -1.7397 -1.7140 -1.6934 -1.6643 -1.6364 -1.6136 -1.6028 -1.5863 -1.5734 -1.5642 -1.5518 -1.5456 -1.5393 -1.5298 -1.5223 -1.5143 -1.4820 -1.4557 -1.4427 -1.4344 -1.4239 -1.4047 -1.3848 -1.3795 -1.3600 -1.3503 -1.3420 -1.3335 -1.3233 -1.3030 -1.2883 -1.2749 -1.2614 -1.2516 -1.2336 -1.2323 -1.2282 -1.2138 -1.2114 -1.2023 -1.1929 -1.1785 -1.1729 -1.1690 -1.1502 -1.1459 -1.1417 -1.1238 -1.1047 -1.0967 -1.0727 -1.0683 -1.0466 -1.0060 -0.9457 -0.8937 -0.7832 -0.6454 -0.6223 -0.4708 -0.3112 -0.2144 0.0484 0.1978 0.2363 0.2907 0.4069 0.5224 0.6705 0.9277 1.0688 1.1878 1.2402 1.3869 1.5628 1.8891 2.2368 2.2841 2.3445 2.3818 2.4230 2.5259 2.5583 2.7234 2.8279 3.0149 3.7835 4.0269 4.1636 4.2144 4.2546 4.2959 4.4206 4.4628 4.5313 4.6015 -22.8822 -17.4130 -13.3551 -10.6241 -9.7696 -8.3875 -7.9752 -7.7218 -6.8677 -6.6880 -6.5909 -6.1822 -6.1043 -5.5953 -5.2970 -5.2183 -4.9402 -4.8626 -4.7781 -4.6836 -4.4422 -4.3583 -4.3315 -4.2927 -4.2508 -4.2279 -4.1080 -4.0840 -4.0265 -3.9577 -3.9201 -3.8389 -3.8164 -3.7859 -3.7488 -3.7085 -3.6974 -3.6866 -3.6325 -3.6105 -3.6070 -3.5919 -3.5839 -3.5769 -3.5557 -3.5177 -3.4683 -3.4448 -3.4207 -3.4028 -3.3767 -3.3619 -3.3374 -3.3330 -3.2588 -3.2457 -3.1982 -3.1803 -3.1545 -3.0761 -3.0526 -3.0372 -3.0255 -3.0166 -2.9995 -2.9750 -2.9614 -2.9424 -2.9355 -2.9212 -2.9047 -2.8264 -2.8171 -2.8117 -2.7915 -2.7851 -2.7690 -2.7274 -2.7011 -2.6685 -2.6515 -2.6242 -2.6077 -2.6043 -2.5825 -2.5755 -2.5629 -2.5561 -2.5245 -2.5060 -2.4837 -2.4648 -2.4509 -2.4440 -2.4307 -2.4239 -2.4202 -2.4019 -2.3955 -2.3844 -2.3685 -2.3449 -2.3337 -2.3030 -2.2951 -2.2851 -2.2736 -2.2576 -2.2529 -2.2370 -2.2196 -2.2124 -2.1939 -2.1774 -2.1062 -2.0609 -2.0568 -2.0357 -2.0172 -2.0135 -2.0010 -1.9810 -1.9620 -1.9527 -1.9439 -1.9302 -1.9278 -1.9187 -1.8970 -1.8834 -1.8667 -1.8501 -1.8437 -1.8336 -1.8315 -1.8235 -1.8191 -1.8031 -1.7973 -1.7940 -1.7758 -1.7585 -1.7534 -1.7316 -1.7241 -1.7112 -1.7016 -1.6815 -1.6560 -1.6373 -1.6078 -1.6039 -1.5869 -1.5662 -1.5586 -1.5535 -1.5378 -1.5180 -1.5060 -1.4998 -1.4703 -1.4374 -1.4211 -1.4150 -1.4114 -1.4007 -1.3951 -1.3806 -1.3743 -1.3535 -1.3459 -1.3352 -1.3204 -1.3094 -1.2966 -1.2903 -1.2745 -1.2646 -1.2479 -1.2406 -1.2390 -1.2304 -1.2249 -1.2193 -1.2043 -1.2022 -1.1944 -1.1801 -1.1675 -1.1579 -1.1314 -1.1178 -1.1059 -1.1039 -1.0898 -1.0758 -1.0729 -1.0391 -0.9491 -0.8699 -0.8654 -0.7507 -0.7088 -0.6550 -0.5672 -0.5049 -0.3545 -0.3261 -0.1671 0.0267 0.3694 0.5909 0.8000 0.9050 1.0245 1.1941 1.2488 1.5149 1.5919 1.8900 1.9209 2.1028 2.3049 2.6322 2.8869 2.9701 2.9850 3.1119 3.3173 3.5827 3.6565 3.7870 3.9658 3.9936 4.0477 4.4596 4.5652 4.7649 4.9210 5.0428 -22.8822 -17.4120 -13.3606 -10.6104 -9.7805 -8.3839 -7.8985 -7.5970 -7.4996 -6.6913 -6.2391 -5.9060 -5.8596 -5.4382 -5.3880 -5.3717 -5.3391 -4.9115 -4.7399 -4.4559 -4.4099 -4.3903 -4.3367 -4.3266 -4.2687 -4.2366 -4.1987 -4.0125 -3.9739 -3.9638 -3.9444 -3.9358 -3.9233 -3.8566 -3.8094 -3.7239 -3.6975 -3.6728 -3.6585 -3.6339 -3.6310 -3.6224 -3.6167 -3.6068 -3.5613 -3.5137 -3.4478 -3.4427 -3.3402 -3.3190 -3.3049 -3.2892 -3.2821 -3.2433 -3.2226 -3.2044 -3.1947 -3.1827 -3.1766 -3.1605 -3.1479 -3.1128 -3.0616 -3.0263 -3.0038 -2.9876 -2.9642 -2.9580 -2.9531 -2.8704 -2.8276 -2.8214 -2.8011 -2.7975 -2.7864 -2.7799 -2.7549 -2.7500 -2.7393 -2.7337 -2.7194 -2.6987 -2.6287 -2.5904 -2.5614 -2.5489 -2.5380 -2.5208 -2.4822 -2.4577 -2.4445 -2.4383 -2.4319 -2.4256 -2.4169 -2.4148 -2.4111 -2.3998 -2.3914 -2.3794 -2.3759 -2.3635 -2.3464 -2.3388 -2.3103 -2.2835 -2.2573 -2.2486 -2.2409 -2.2185 -2.1914 -2.1533 -2.1319 -2.1175 -2.0993 -2.0814 -2.0755 -2.0709 -2.0620 -2.0589 -2.0492 -2.0247 -2.0220 -2.0045 -1.9973 -1.9708 -1.9586 -1.9418 -1.9276 -1.8998 -1.8880 -1.8843 -1.8723 -1.8651 -1.7951 -1.7881 -1.7619 -1.7501 -1.7421 -1.7241 -1.7168 -1.6956 -1.6891 -1.6776 -1.6703 -1.6614 -1.6464 -1.6401 -1.6230 -1.6128 -1.5997 -1.5744 -1.5449 -1.5364 -1.5220 -1.4999 -1.4977 -1.4867 -1.4747 -1.4651 -1.4597 -1.4523 -1.4483 -1.4393 -1.4295 -1.4198 -1.4141 -1.4081 -1.3888 -1.3841 -1.3755 -1.3511 -1.3473 -1.3411 -1.3382 -1.3337 -1.2982 -1.2860 -1.2846 -1.2644 -1.2569 -1.2497 -1.2414 -1.2225 -1.2209 -1.2004 -1.1858 -1.1694 -1.1525 -1.1288 -1.1227 -1.1220 -1.1186 -1.1144 -1.1013 -1.0637 -1.0398 -1.0322 -1.0274 -1.0005 -0.9794 -0.9653 -0.8210 -0.7550 -0.6806 -0.3418 -0.3064 -0.0119 0.0604 0.1341 0.3973 0.5712 0.5877 0.7982 0.8786 1.1825 1.3926 1.5912 1.6947 1.7586 1.8481 2.0248 2.2015 2.6691 2.7848 3.2900 3.3249 3.3521 3.3781 3.4261 3.6589 3.7657 3.9631 4.1261 4.2845 4.5876 4.6892 4.8394 4.9190 5.1825 -22.8822 -17.4129 -13.3550 -10.6243 -9.7712 -8.3728 -7.8561 -7.4402 -7.3850 -6.7466 -6.2943 -6.2122 -6.1521 -5.7979 -5.7338 -5.0581 -4.9127 -4.7996 -4.6123 -4.5324 -4.4944 -4.3617 -4.2997 -4.2225 -4.1102 -4.0929 -4.0812 -4.0602 -4.0463 -3.9513 -3.8905 -3.8620 -3.8504 -3.8452 -3.7970 -3.7489 -3.7197 -3.6983 -3.6822 -3.6529 -3.6298 -3.6136 -3.5885 -3.5732 -3.5582 -3.5058 -3.4854 -3.4802 -3.4474 -3.4259 -3.3834 -3.3540 -3.2966 -3.2749 -3.2638 -3.2496 -3.1830 -3.1660 -3.1398 -3.1161 -3.1071 -3.0731 -3.0570 -3.0320 -3.0108 -2.9765 -2.9486 -2.9190 -2.9159 -2.8880 -2.8573 -2.8403 -2.8218 -2.8058 -2.7978 -2.7880 -2.7809 -2.7598 -2.7394 -2.7302 -2.7079 -2.6927 -2.6635 -2.6099 -2.5891 -2.5673 -2.5474 -2.5220 -2.5138 -2.4921 -2.4810 -2.4777 -2.4648 -2.4546 -2.4425 -2.4235 -2.4017 -2.3982 -2.3867 -2.3671 -2.3619 -2.3565 -2.3467 -2.3397 -2.3233 -2.2899 -2.2821 -2.2635 -2.2389 -2.2071 -2.1824 -2.1630 -2.1275 -2.1204 -2.1081 -2.1004 -2.0959 -2.0818 -2.0709 -2.0576 -2.0452 -2.0265 -2.0241 -2.0088 -1.9997 -1.9907 -1.9780 -1.9342 -1.9270 -1.9161 -1.8991 -1.8865 -1.8708 -1.8581 -1.8452 -1.8426 -1.8249 -1.8165 -1.8031 -1.7910 -1.7868 -1.7751 -1.7639 -1.7516 -1.7470 -1.7340 -1.7049 -1.6535 -1.6390 -1.6235 -1.5965 -1.5786 -1.5675 -1.5631 -1.5572 -1.5396 -1.5387 -1.5328 -1.5154 -1.5083 -1.4899 -1.4556 -1.4457 -1.4357 -1.4154 -1.4080 -1.3851 -1.3759 -1.3636 -1.3517 -1.3433 -1.3345 -1.3213 -1.2943 -1.2910 -1.2812 -1.2730 -1.2499 -1.2330 -1.2249 -1.2160 -1.2130 -1.2080 -1.1938 -1.1908 -1.1850 -1.1729 -1.1672 -1.1528 -1.1499 -1.1453 -1.1296 -1.1178 -1.0923 -1.0708 -1.0674 -1.0400 -0.9979 -0.9684 -0.8258 -0.7850 -0.6900 -0.5872 -0.5574 -0.3366 -0.1088 0.1053 0.1547 0.2018 0.2728 0.3160 0.5442 0.6703 0.8955 0.9971 1.1164 1.3093 1.4309 1.6594 1.8772 2.2059 2.3157 2.3587 2.3759 2.3923 2.4713 2.5763 2.7455 2.8773 3.0380 3.7019 3.8441 4.1179 4.2430 4.2511 4.4012 4.4633 4.5130 4.5453 4.6932 -22.8822 -17.4138 -13.3494 -10.6380 -9.7622 -8.3611 -7.8134 -7.1249 -6.9901 -6.9670 -6.9107 -6.6229 -6.1583 -5.4811 -5.4731 -5.3992 -5.3379 -4.8718 -4.6288 -4.2106 -4.1495 -4.1279 -4.1176 -4.1004 -4.0947 -4.0712 -4.0704 -4.0546 -4.0453 -4.0212 -3.9321 -3.8249 -3.8187 -3.7667 -3.7628 -3.7108 -3.7007 -3.6743 -3.6711 -3.6642 -3.6602 -3.6475 -3.6222 -3.6069 -3.6021 -3.5928 -3.5426 -3.4981 -3.4672 -3.4539 -3.4436 -3.4279 -3.3956 -3.3346 -3.3212 -3.2953 -3.1570 -3.1356 -3.1277 -3.1130 -3.0839 -3.0418 -3.0336 -3.0114 -2.9879 -2.9738 -2.9686 -2.9603 -2.9322 -2.9131 -2.9082 -2.8850 -2.8781 -2.8311 -2.7924 -2.7324 -2.7011 -2.6903 -2.6784 -2.6669 -2.6531 -2.6432 -2.6327 -2.6247 -2.6173 -2.6004 -2.5922 -2.5847 -2.5754 -2.5666 -2.5636 -2.5559 -2.5435 -2.5198 -2.5060 -2.4228 -2.4145 -2.4024 -2.3807 -2.3731 -2.3498 -2.3435 -2.3083 -2.2934 -2.2759 -2.2463 -2.2419 -2.2400 -2.2359 -2.2237 -2.2025 -2.1899 -2.1636 -2.1377 -2.1256 -2.1208 -2.1078 -2.0913 -2.0840 -2.0669 -2.0578 -2.0537 -2.0482 -2.0323 -2.0003 -1.9782 -1.9762 -1.9671 -1.9657 -1.9549 -1.9459 -1.9305 -1.9226 -1.9190 -1.9138 -1.8845 -1.8753 -1.8632 -1.8323 -1.8286 -1.8243 -1.8217 -1.7914 -1.7566 -1.7240 -1.7037 -1.6860 -1.6717 -1.6284 -1.6227 -1.6036 -1.5925 -1.5772 -1.5641 -1.5452 -1.5188 -1.5132 -1.5022 -1.4951 -1.4645 -1.4567 -1.4463 -1.4435 -1.4307 -1.4222 -1.4007 -1.3984 -1.3933 -1.3910 -1.3507 -1.3483 -1.3428 -1.3249 -1.3193 -1.3067 -1.3049 -1.3021 -1.2669 -1.2592 -1.2424 -1.2262 -1.2115 -1.1901 -1.1860 -1.1761 -1.1724 -1.1475 -1.1363 -1.1284 -1.1199 -1.1173 -1.1102 -1.0910 -1.0825 -1.0812 -1.0722 -1.0602 -0.8924 -0.8738 -0.7705 -0.6705 -0.5312 -0.4342 -0.0670 0.0958 0.2654 0.5440 0.5825 0.5911 0.6119 0.6290 0.6512 0.7119 0.7516 1.0456 1.3438 1.3784 1.4007 1.4099 1.4143 1.4324 1.4669 1.5567 1.8302 1.9239 2.2385 2.8727 2.9450 3.0722 3.3238 3.5720 3.5922 4.0169 4.0736 4.1270 4.1342 4.1477 4.5523 4.5621 5.1674</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="2400">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99999 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99981 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.81148 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00014 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99995 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.48079 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.71261 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.80262 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99966 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <scalar dataType="xsd:double"
                             dictRef="cc:freeEnergy"
                             units="nonsi:electronvolt">-181.07664154</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="v:noEntropyEnergy"
                             units="nonsi:electronvolt">-181.07172888</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:e0" units="nonsi:electronvolt">-181.07418521</scalar>
                     <scalar dataType="xsd:double" dictRef="v:efermi" units="nonsi:electronvolt">0.3920</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.707869219</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.707869219</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.28464"
                        xFract="0.16666603"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.28464"
                        xFract="0.16666603"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.28464"
                        xFract="0.16666603"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="3.85393"
                        xFract="0.4999994"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.85393"
                        xFract="0.4999994"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="3.85393"
                        xFract="0.4999994"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.42322"
                        xFract="0.83333277"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.42322"
                        xFract="0.83333277"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.42322"
                        xFract="0.83333277"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.56929"
                        xFract="0.33333337"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="2.56929"
                        xFract="0.33333337"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="2.56929"
                        xFract="0.33333337"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.13858"
                        xFract="0.66666673"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.13858"
                        xFract="0.66666673"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="5.13858"
                        xFract="0.66666673"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.28091"
                        xFract="0.16618211"
                        y3="1.28968"
                        yFract="0.16731991"
                        z3="5.42655"
                        zFract="0.2713275"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="1.28741"
                        xFract="0.16702541"
                        y3="3.84895"
                        yFract="0.49935331"
                        z3="5.41979"
                        zFract="0.2709895"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="1.3093"
                        xFract="0.16986536"
                        y3="6.41164"
                        yFract="0.83183041"
                        z3="5.44769"
                        zFract="0.2723845"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.85579"
                        xFract="0.50024071"
                        y3="1.32428"
                        yFract="0.17180883"
                        z3="5.47016"
                        zFract="0.273508"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="3.83864"
                        xFract="0.49801571"
                        y3="3.83683"
                        yFract="0.49778089"
                        z3="5.42271"
                        zFract="0.2711355"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.86383"
                        xFract="0.5012838"
                        y3="6.41413"
                        yFract="0.83215345"
                        z3="5.46184"
                        zFract="0.273092"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.40666"
                        xFract="0.83118432"
                        y3="1.30382"
                        yFract="0.1691544"
                        z3="5.45508"
                        zFract="0.272754"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.43733"
                        xFract="0.83516337"
                        y3="3.84347"
                        yFract="0.49864235"
                        z3="5.41868"
                        zFract="0.270934"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.41697"
                        xFract="0.83252191"
                        y3="6.41508"
                        yFract="0.83227671"
                        z3="5.44357"
                        zFract="0.2721785"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.69838"
                        xFract="0.99876889"
                        y3="7.68322"
                        yFract="0.99680207"
                        z3="7.19304"
                        zFract="0.359652"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="7.70013"
                        xFract="0.99899593"
                        y3="2.53617"
                        yFract="0.32903646"
                        z3="7.23303"
                        zFract="0.3616515"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.02805"
                        xFract="0.00363914"
                        y3="5.13627"
                        yFract="0.66636704"
                        z3="7.15977"
                        zFract="0.3579885"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.5546"
                        xFract="0.33142752"
                        y3="0.00157"
                        yFract="0.00020369"
                        z3="7.18028"
                        zFract="0.359014"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.44206"
                        xFract="0.31682686"
                        y3="2.5489"
                        yFract="0.33068802"
                        z3="7.25033"
                        zFract="0.3625165"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.60313"
                        xFract="0.33772369"
                        y3="5.14685"
                        yFract="0.66773966"
                        z3="7.27847"
                        zFract="0.3639235"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="5.1446"
                        xFract="0.66744775"
                        y3="0.01308"
                        yFract="0.00169697"
                        z3="7.18747"
                        zFract="0.3593735"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.22231"
                        xFract="0.67752966"
                        y3="2.61348"
                        yFract="0.33906647"
                        z3="7.30799"
                        zFract="0.3653995"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.19656"
                        xFract="0.67418892"
                        y3="5.13608"
                        yFract="0.66634239"
                        z3="7.25519"
                        zFract="0.3627595"/>
                  <atom elementType="C"
                        id="a37"
                        x3="4.59409"
                        xFract="0.59602594"
                        y3="3.86115"
                        yFract="0.50093611"
                        z3="8.78058"
                        zFract="0.439029"/>
                  <atom elementType="C"
                        id="a38"
                        x3="3.16153"
                        xFract="0.41016913"
                        y3="3.85378"
                        yFract="0.49997994"
                        z3="8.7873"
                        zFract="0.439365"/>
                  <atom elementType="C"
                        id="a39"
                        x3="2.18363"
                        xFract="0.28329879"
                        y3="3.7967"
                        yFract="0.49257452"
                        z3="9.95523"
                        zFract="0.4977615"/>
                  <atom elementType="C"
                        id="a40"
                        x3="2.40053"
                        xFract="0.31143886"
                        y3="2.53375"
                        yFract="0.32872249"
                        z3="9.18875"
                        zFract="0.4594375"/>
                  <atom elementType="H"
                        id="a41"
                        x3="6.18062"
                        xFract="0.80185844"
                        y3="4.06158"
                        yFract="0.5269394"
                        z3="9.79318"
                        zFract="0.489659"/>
                  <atom elementType="H"
                        id="a42"
                        x3="1.26107"
                        xFract="0.16360812"
                        y3="4.36541"
                        yFract="0.56635756"
                        z3="9.78661"
                        zFract="0.4893305"/>
                  <atom elementType="H"
                        id="a43"
                        x3="2.5883"
                        xFract="0.33579968"
                        y3="3.8656"
                        yFract="0.50151344"
                        z3="10.97082"
                        zFract="0.548541"/>
                  <atom elementType="H"
                        id="a44"
                        x3="3.01484"
                        xFract="0.39113793"
                        y3="1.77522"
                        yFract="0.23031268"
                        z3="9.68537"
                        zFract="0.4842685"/>
                  <atom elementType="O"
                        id="a45"
                        x3="5.21426"
                        xFract="0.67648527"
                        y3="4.08747"
                        yFract="0.53029831"
                        z3="9.96685"
                        zFract="0.4983425"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a22 a35" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a38" order="S"/>
                  <bond atomRefs2="a32 a40" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
               </bondArray>
               <formula concise="C4H4Cu36O">
                  <atomArray count="4 4 36 1" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2351.6982</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C4H4O.36Cu/c5-3-4-1-2-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,5H,2H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:40,39,37,38,45;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/CRV:1.3,3.2,4.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:45CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCC5CCHHHHO/rB:s1;s2;s1;s2s4;s3s5;s4;s5s7;s6s8;s1;s1s2s10;s2s3s11;s1s4s10;s1s2s4s5s11s13;s2s3s5s6s12s14;s4s7s13;s4s5s7s8s14s16;s5s6s8s9s15s17;s10s11s13s14;s11s12s14s15s19;s12s15s20;s13s14s16s17s19;s14s15s17s18s20s22;s15s18s21s23;s16s17s22;s17s18s23s25;s18s24s26;s27;s25s26;s20s21;s19s22;s19s20s22s23s31;s20s21s23s24s30s32;s22s25s31;s22s23s25s26s29s34;s23s24s26s27s33s35;s35s36;s32s33s37;s38;s32s38s39;;s39;s39;s40;s37s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
