<?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 Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T22:08:22.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.148307014121546</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</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">50.77</scalar>
               </crystal>
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                        y3="0.84091714"
                        yFract="0.08936384"
                        z3="2.87672844"
                        zFract="0.09016718"/>
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                        id="a2"
                        x3="8.0086605"
                        xFract="0.16239"
                        y3="7.89844576"
                        yFract="0.83936384"
                        z3="8.13709986"
                        zFract="0.25504644"/>
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                        id="a3"
                        x3="6.08784451"
                        xFract="0.16239"
                        y3="5.54593622"
                        yFract="0.58936384"
                        z3="2.87672844"
                        zFract="0.09016718"/>
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                        y3="7.5063609"
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                        z3="9.01382822"
                        zFract="0.28252631"/>
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                        id="a5"
                        x3="8.96906852"
                        xFract="0.49572333"
                        y3="5.15385136"
                        yFract="0.54769718"
                        z3="9.01382822"
                        zFract="0.28252631"/>
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                        id="a6"
                        x3="9.92947651"
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                        z3="11.64401393"
                        zFract="0.36496594"/>
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                        id="a7"
                        x3="7.0482525"
                        xFract="0.16239"
                        y3="6.72219099"
                        yFract="0.71436384"
                        z3="10.76728525"
                        zFract="0.33748606"/>
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                        id="a8"
                        x3="11.85029251"
                        xFract="0.49572333"
                        y3="8.68261566"
                        yFract="0.92269718"
                        z3="11.64401393"
                        zFract="0.36496594"/>
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                        id="a9"
                        x3="8.9690685"
                        xFract="0.16239"
                        y3="9.07470052"
                        yFract="0.96436384"
                        z3="10.76728525"
                        zFract="0.33748606"/>
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                        id="a10"
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                        xFract="0.16239"
                        y3="5.54593622"
                        yFract="0.58936384"
                        z3="13.39747096"
                        zFract="0.41992569"/>
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                        id="a11"
                        x3="12.81070045"
                        xFract="0.82905666"
                        y3="5.93802117"
                        yFract="0.63103051"
                        z3="12.52074261"
                        zFract="0.39244582"/>
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                        id="a12"
                        x3="13.77110844"
                        xFract="0.82905666"
                        y3="7.11427594"
                        yFract="0.75603051"
                        z3="9.8905569"
                        zFract="0.31000619"/>
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                        id="a13"
                        x3="8.0086605"
                        xFract="0.16239"
                        y3="7.89844576"
                        yFract="0.83936384"
                        z3="13.39747096"
                        zFract="0.41992569"/>
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                        id="a14"
                        x3="11.85029245"
                        xFract="0.82905666"
                        y3="4.7617664"
                        yFract="0.50603051"
                        z3="15.150928"
                        zFract="0.47488544"/>
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                        id="a15"
                        x3="8.96906852"
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                        yFract="0.54769718"
                        z3="14.27419964"
                        zFract="0.44740557"/>
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                        id="a16"
                        x3="13.77110844"
                        xFract="0.82905666"
                        y3="7.11427594"
                        yFract="0.75603051"
                        z3="15.150928"
                        zFract="0.47488544"/>
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                        id="a17"
                        x3="10.88988451"
                        xFract="0.49572333"
                        y3="7.5063609"
                        yFract="0.79769718"
                        z3="14.27419964"
                        zFract="0.44740557"/>
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                        id="a18"
                        x3="14.73151644"
                        xFract="0.82905666"
                        y3="8.29053071"
                        yFract="0.88103051"
                        z3="12.52074261"
                        zFract="0.39244582"/>
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                        id="a19"
                        x3="12.81070045"
                        xFract="0.82905666"
                        y3="5.93802117"
                        yFract="0.63103051"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.85029245"
                        xFract="0.82905666"
                        y3="4.7617664"
                        yFract="0.50603051"
                        z3="9.8905569"
                        zFract="0.31000619"/>
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                        id="a21"
                        x3="7.0482525"
                        xFract="0.16239"
                        y3="6.72219099"
                        yFract="0.71436384"
                        z3="5.50691415"
                        zFract="0.17260681"/>
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                        id="a22"
                        x3="8.96906852"
                        xFract="0.49572333"
                        y3="5.15385136"
                        yFract="0.54769718"
                        z3="3.75345712"
                        zFract="0.11764706"/>
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                        id="a23"
                        x3="6.08784451"
                        xFract="0.16239"
                        y3="5.54593622"
                        yFract="0.58936384"
                        z3="8.13709986"
                        zFract="0.25504644"/>
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                        id="a24"
                        x3="11.85029251"
                        xFract="0.49572333"
                        y3="8.68261566"
                        yFract="0.92269718"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.85029245"
                        xFract="0.82905666"
                        y3="4.7617664"
                        yFract="0.50603051"
                        z3="4.63018548"
                        zFract="0.14512693"/>
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                        id="a26"
                        x3="8.9690685"
                        xFract="0.16239"
                        y3="9.07470052"
                        yFract="0.96436384"
                        z3="5.50691415"
                        zFract="0.17260681"/>
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                        id="a27"
                        x3="9.92947651"
                        xFract="0.49572333"
                        y3="6.33010613"
                        yFract="0.67269718"
                        z3="6.38364283"
                        zFract="0.20008669"/>
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                        id="a28"
                        x3="10.88988451"
                        xFract="0.49572333"
                        y3="7.5063609"
                        yFract="0.79769718"
                        z3="3.75345712"
                        zFract="0.11764706"/>
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                        y3="8.29053071"
                        yFract="0.88103051"
                        z3="7.26037119"
                        zFract="0.22756656"/>
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                        x3="13.77110844"
                        xFract="0.82905666"
                        y3="7.11427594"
                        yFract="0.75603051"
                        z3="4.63018548"
                        zFract="0.14512693"/>
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                        id="a31"
                        x3="8.0086605"
                        xFract="0.16239"
                        y3="7.89844576"
                        yFract="0.83936384"
                        z3="2.87672844"
                        zFract="0.09016718"/>
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                        y3="0.84091714"
                        yFract="0.08936384"
                        z3="8.13709986"
                        zFract="0.25504644"/>
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                        id="a33"
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                        xFract="0.82905666"
                        y3="3.58551164"
                        yFract="0.38103051"
                        z3="12.52074261"
                        zFract="0.39244582"/>
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                        xFract="0.82905666"
                        y3="1.2330021"
                        yFract="0.13103051"
                        z3="7.26037119"
                        zFract="0.22756656"/>
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                        xFract="0.82905666"
                        y3="0.05674733"
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                        z3="9.8905569"
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                        id="a36"
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                        xFract="0.16239"
                        y3="2.01717191"
                        yFract="0.21436384"
                        z3="5.50691415"
                        zFract="0.17260681"/>
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                  <bond atomRefs2="a16 a66" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a32 a67" order="S"/>
                  <bond atomRefs2="a33 a68" order="S"/>
                  <bond atomRefs2="a34 a73" order="S"/>
                  <bond atomRefs2="a35 a73" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a38 a70" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a41 a74" order="S"/>
                  <bond atomRefs2="a42 a74" order="S"/>
                  <bond atomRefs2="a42 a71" order="S"/>
                  <bond atomRefs2="a43 a74" order="S"/>
                  <bond atomRefs2="a45 a72" order="S"/>
                  <bond atomRefs2="a46 a62" order="S"/>
                  <bond atomRefs2="a48 a70" order="S"/>
                  <bond atomRefs2="a48 a75" order="S"/>
                  <bond atomRefs2="a49 a73" order="S"/>
                  <bond atomRefs2="a50 a72" order="S"/>
                  <bond atomRefs2="a51 a70" order="S"/>
                  <bond atomRefs2="a52 a75" order="S"/>
                  <bond atomRefs2="a53 a72" order="S"/>
                  <bond atomRefs2="a56 a72" order="S"/>
                  <bond atomRefs2="a57 a71" order="S"/>
                  <bond atomRefs2="a58 a73" order="S"/>
                  <bond atomRefs2="a59 a67" order="S"/>
                  <bond atomRefs2="a60 a68" order="S"/>
               </bondArray>
               <formula concise="Cu60O15">
                  <atomArray count="60 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4052.7509999999984</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.15O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75/rA:75CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OO4OO3OO3O4O1O3OO4O4O4O3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s24s26s27s28;s3s46;s3s21s22s31;s12s18;s2s4s9;s14s16;s32s36s59;s14s15s33s60;s1;s38s48s51;s42s57;s45s50s53s56;s34s35s49s58;s39s41s42s43;s10s48s52;/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-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</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">750.0000</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="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">60 15</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</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>
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-0.068724 -0.720052 -0.522971</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-286.35875596</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-286.34633635</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-286.35254616</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.7780</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2491187E+00</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.60407997</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.148307014121546</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</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">50.77</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.24621"
                        xFract="0.16238949"
                        y3="0.84092"
                        yFract="0.08936414"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.84636"
                        xFract="0.16429597"
                        y3="7.67725"
                        yFract="0.81585748"
                        z3="7.88499"
                        zFract="0.2471444"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.08784"
                        xFract="0.16238921"
                        y3="5.54594"
                        yFract="0.58936424"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.94926"
                        xFract="0.52088461"
                        y3="7.28312"
                        yFract="0.77397348"
                        z3="9.29245"
                        zFract="0.29125933"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.92183"
                        xFract="0.49161421"
                        y3="5.14433"
                        yFract="0.54668535"
                        z3="8.97578"
                        zFract="0.28133374"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.87329"
                        xFract="0.49607376"
                        y3="6.25717"
                        yFract="0.66494629"
                        z3="11.39802"
                        zFract="0.35725559"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.21464"
                        xFract="0.19896908"
                        y3="6.49571"
                        yFract="0.69029582"
                        z3="10.76384"
                        zFract="0.33737807"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.9320"
                        xFract="0.49984799"
                        y3="8.73417"
                        yFract="0.92817583"
                        z3="11.44167"
                        zFract="0.35862374"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.15111"
                        xFract="0.17876697"
                        y3="9.10502"
                        yFract="0.96758588"
                        z3="10.91421"
                        zFract="0.34209122"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.46187"
                        xFract="0.19062725"
                        y3="5.67188"
                        yFract="0.60274782"
                        z3="12.90037"
                        zFract="0.40434473"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.73324"
                        xFract="0.81920861"
                        y3="5.95899"
                        yFract="0.63325886"
                        z3="12.29685"
                        zFract="0.38542821"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.48289"
                        xFract="0.80951343"
                        y3="6.99116"
                        yFract="0.74294704"
                        z3="9.89379"
                        zFract="0.31010753"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.21847"
                        xFract="0.19647776"
                        y3="7.75445"
                        yFract="0.82406148"
                        z3="12.83011"
                        zFract="0.40214252"/>
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                        id="a14"
                        x3="11.75846"
                        xFract="0.78891953"
                        y3="5.12141"
                        yFract="0.54424965"
                        z3="14.64434"
                        zFract="0.45900712"/>
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                        id="a15"
                        x3="8.90551"
                        xFract="0.472593"
                        y3="5.34808"
                        yFract="0.56833776"
                        z3="13.50434"
                        zFract="0.42327536"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.55159"
                        xFract="0.78388888"
                        y3="7.37671"
                        yFract="0.78391924"
                        z3="14.44764"
                        zFract="0.45284182"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.04381"
                        xFract="0.52165652"
                        y3="7.38984"
                        yFract="0.78531456"
                        z3="13.37381"
                        zFract="0.41918407"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.52649"
                        xFract="0.81298409"
                        y3="8.22848"
                        yFract="0.87443641"
                        z3="12.42115"
                        zFract="0.38932422"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.8107"
                        xFract="0.82905671"
                        y3="5.93802"
                        yFract="0.63103039"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.59965"
                        xFract="0.78891513"
                        y3="4.92696"
                        yFract="0.52358555"
                        z3="9.9945"
                        zFract="0.31326415"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.04825"
                        xFract="0.16238982"
                        y3="6.72219"
                        yFract="0.71436374"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.96907"
                        xFract="0.4957236"
                        y3="5.15385"
                        yFract="0.54769704"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.11932"
                        xFract="0.17073901"
                        y3="5.48628"
                        yFract="0.5830242"
                        z3="8.13123"
                        zFract="0.25486246"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.85029"
                        xFract="0.4957227"
                        y3="8.68262"
                        yFract="0.92269764"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.85029"
                        xFract="0.8290561"
                        y3="4.76177"
                        yFract="0.50603089"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="8.96907"
                        xFract="0.1623902"
                        y3="9.0747"
                        yFract="0.96436378"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.92948"
                        xFract="0.49572336"
                        y3="6.33011"
                        yFract="0.67269759"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.88988"
                        xFract="0.49572294"
                        y3="7.50636"
                        yFract="0.79769708"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.73152"
                        xFract="0.82905709"
                        y3="8.29053"
                        yFract="0.88103043"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.77111"
                        xFract="0.82905648"
                        y3="7.11428"
                        yFract="0.75603094"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.00866"
                        xFract="0.16238959"
                        y3="7.89845"
                        yFract="0.83936429"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.25695"
                        xFract="0.16951922"
                        y3="0.77021"
                        yFract="0.08184983"
                        z3="8.31439"
                        zFract="0.26060336"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.9304"
                        xFract="0.8285128"
                        y3="3.64153"
                        yFract="0.38698355"
                        z3="12.17997"
                        zFract="0.38176476"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.96907"
                        xFract="0.829057"
                        y3="1.2330"
                        yFract="0.13103029"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="7.99863"
                        xFract="0.82570811"
                        y3="0.08385"
                        yFract="0.0089107"
                        z3="9.94524"
                        zFract="0.31172016"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.20662"
                        xFract="0.16239011"
                        y3="2.01717"
                        yFract="0.21436364"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.12744"
                        xFract="0.49572389"
                        y3="0.44883"
                        yFract="0.04769694"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.18017"
                        xFract="0.52309472"
                        y3="0.19146"
                        yFract="0.02034636"
                        z3="13.68905"
                        zFract="0.42906484"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.00866"
                        xFract="0.49572299"
                        y3="3.9776"
                        yFract="0.42269754"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.00866"
                        xFract="0.82905638"
                        y3="0.05675"
                        yFract="0.00603079"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.12744"
                        xFract="0.16239049"
                        y3="4.36968"
                        yFract="0.46436369"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.08784"
                        xFract="0.49572261"
                        y3="1.62509"
                        yFract="0.17269749"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.04825"
                        xFract="0.49572322"
                        y3="2.80134"
                        yFract="0.29769699"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.92948"
                        xFract="0.82905676"
                        y3="2.40926"
                        yFract="0.25603084"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.25284"
                        xFract="0.54022298"
                        y3="2.52848"
                        yFract="0.26870029"
                        z3="13.82518"
                        zFract="0.43333165"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.16703"
                        xFract="0.16238987"
                        y3="3.19343"
                        yFract="0.33936419"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.74638"
                        xFract="0.78963584"
                        y3="0.19921"
                        yFract="0.02116995"
                        z3="14.24895"
                        zFract="0.44661415"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.19892"
                        xFract="0.18205458"
                        y3="3.00118"
                        yFract="0.31893388"
                        z3="13.08813"
                        zFract="0.41022981"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.05034"
                        xFract="0.82124491"
                        y3="2.64917"
                        yFract="0.28152596"
                        z3="10.06206"
                        zFract="0.31538172"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.28073"
                        xFract="0.88471705"
                        y3="0.9600"
                        yFract="0.10201871"
                        z3="12.30197"
                        zFract="0.38558869"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.22697"
                        xFract="0.171933"
                        y3="0.7051"
                        yFract="0.07493062"
                        z3="12.94803"
                        zFract="0.40583857"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.17701"
                        xFract="0.17466764"
                        y3="4.28598"
                        yFract="0.45546893"
                        z3="10.4771"
                        zFract="0.32839059"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="8.07104"
                        xFract="0.47523249"
                        y3="4.29502"
                        yFract="0.45642961"
                        z3="11.37052"
                        zFract="0.35639364"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.88988"
                        xFract="0.82905634"
                        y3="3.58551"
                        yFract="0.38103034"
                        z3="7.26037"
                        zFract="0.22756652"/>
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                        id="a55"
                        x3="3.25312"
                        xFract="0.17155909"
                        y3="1.96627"
                        yFract="0.20895452"
                        z3="10.80354"
                        zFract="0.33862242"/>
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                        id="a56"
                        x3="5.7961"
                        xFract="0.4711746"
                        y3="1.55653"
                        yFract="0.16541166"
                        z3="11.38354"
                        zFract="0.35680174"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="4.98603"
                        xFract="0.47469518"
                        y3="0.52299"
                        yFract="0.05557788"
                        z3="9.30178"
                        zFract="0.29155177"/>
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                        id="a58"
                        x3="6.92208"
                        xFract="0.45834815"
                        y3="3.08644"
                        yFract="0.32799442"
                        z3="9.17155"
                        zFract="0.28746989"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.3409"
                        xFract="0.15828161"
                        y3="3.4547"
                        yFract="0.36712922"
                        z3="8.38679"
                        zFract="0.26287264"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.6015"
                        xFract="0.80498869"
                        y3="2.29067"
                        yFract="0.24342834"
                        z3="14.4747"
                        zFract="0.45368998"/>
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                        id="a61"
                        x3="10.40968"
                        xFract="0.41238959"
                        y3="7.89845"
                        yFract="0.83936429"
                        z3="5.50691"
                        zFract="0.17260668"/>
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                        x3="4.64723"
                        xFract="0.0790561"
                        y3="4.76177"
                        yFract="0.50603089"
                        z3="2.0000"
                        zFract="0.06268731"/>
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                        y3="6.33011"
                        yFract="0.67269759"
                        z3="3.75346"
                        zFract="0.11764715"/>
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                        id="a64"
                        x3="15.22852"
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                        y3="7.79146"
                        yFract="0.82799452"
                        z3="10.64119"
                        zFract="0.33353377"/>
                  <atom elementType="O"
                        id="a65"
                        x3="9.3304"
                        xFract="0.24642702"
                        y3="8.52875"
                        yFract="0.90634595"
                        z3="9.00586"
                        zFract="0.28227656"/>
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                        id="a66"
                        x3="13.1609"
                        xFract="0.86166408"
                        y3="5.98338"
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                        z3="15.39217"
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                        x3="2.82189"
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                        yFract="0.25114351"
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                        zFract="0.23187189"/>
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                        id="a68"
                        x3="10.33248"
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                        y3="4.04613"
                        yFract="0.42998019"
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                        zFract="0.44162456"/>
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                        id="a69"
                        x3="0.8056"
                        xFract="0.07905638"
                        y3="0.05675"
                        yFract="0.00603079"
                        z3="2.0000"
                        zFract="0.06268731"/>
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                        id="a70"
                        x3="3.76245"
                        xFract="0.26793016"
                        y3="1.4565"
                        yFract="0.15478152"
                        z3="13.89883"
                        zFract="0.43564011"/>
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                        id="a71"
                        x3="5.60764"
                        xFract="0.57905638"
                        y3="0.05675"
                        yFract="0.00603079"
                        z3="7.26037"
                        zFract="0.22756652"/>
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                        id="a72"
                        x3="7.59169"
                        xFract="0.58667846"
                        y3="2.39705"
                        yFract="0.25473329"
                        z3="11.94082"
                        zFract="0.37426893"/>
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                        id="a73"
                        x3="8.49294"
                        xFract="0.74102269"
                        y3="1.68537"
                        yFract="0.17910342"
                        z3="9.06983"
                        zFract="0.28428161"/>
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                        id="a74"
                        x3="6.56805"
                        xFract="0.41238987"
                        y3="3.19343"
                        yFract="0.33936419"
                        z3="5.50691"
                        zFract="0.17260668"/>
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                        id="a75"
                        x3="4.76137"
                        xFract="0.08779675"
                        y3="4.79875"
                        yFract="0.50996074"
                        z3="12.45518"
                        zFract="0.39039085"/>
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               <bondArray>
                  <bond atomRefs2="a1 a69" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a65" order="S"/>
                  <bond atomRefs2="a3 a63" order="S"/>
                  <bond atomRefs2="a3 a62" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a4 a65" order="S"/>
                  <bond atomRefs2="a5 a53" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a7 a53" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a65" order="S"/>
                  <bond atomRefs2="a10 a53" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a75" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a17" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a14 a66" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a66" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a32 a67" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a68" order="S"/>
                  <bond atomRefs2="a34 a73" order="S"/>
                  <bond atomRefs2="a35 a73" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a70" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a41 a74" order="S"/>
                  <bond atomRefs2="a42 a74" order="S"/>
                  <bond atomRefs2="a42 a71" order="S"/>
                  <bond atomRefs2="a43 a74" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a72" order="S"/>
                  <bond atomRefs2="a46 a62" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a75" order="S"/>
                  <bond atomRefs2="a48 a70" order="S"/>
                  <bond atomRefs2="a49 a73" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a70" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a52 a75" order="S"/>
                  <bond atomRefs2="a53 a72" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a56 a72" order="S"/>
                  <bond atomRefs2="a58 a73" order="S"/>
                  <bond atomRefs2="a59 a67" order="S"/>
                  <bond atomRefs2="a60 a68" order="S"/>
               </bondArray>
               <formula concise="Cu60O15">
                  <atomArray count="60 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4052.7509999999984</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.15O">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
