<?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>
                  <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>
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                        id="a1"
                        x3="2.19447824"
                        xFract="0.16133999"
                        y3="0.78990664"
                        yFract="0.08394298"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.95692622"
                        xFract="0.16133999"
                        y3="7.84743526"
                        yFract="0.83394298"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.03611023"
                        xFract="0.16133999"
                        y3="5.49492572"
                        yFract="0.58394298"
                        z3="2.87672844"
                        zFract="0.09016718"/>
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                        id="a4"
                        x3="10.83815023"
                        xFract="0.49467332"
                        y3="7.4553504"
                        yFract="0.79227632"
                        z3="9.01382822"
                        zFract="0.28252631"/>
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                        id="a5"
                        x3="8.91733424"
                        xFract="0.49467332"
                        y3="5.10284086"
                        yFract="0.54227632"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.87774224"
                        xFract="0.49467332"
                        y3="6.27909563"
                        yFract="0.66727632"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.99651823"
                        xFract="0.16133999"
                        y3="6.67118049"
                        yFract="0.70894298"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.79855823"
                        xFract="0.49467332"
                        y3="8.63160517"
                        yFract="0.91727632"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.91733422"
                        xFract="0.16133999"
                        y3="9.02369003"
                        yFract="0.95894298"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.03611023"
                        xFract="0.16133999"
                        y3="5.49492572"
                        yFract="0.58394298"
                        z3="13.39747096"
                        zFract="0.41992569"/>
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                        id="a11"
                        x3="12.75896627"
                        xFract="0.82800666"
                        y3="5.88701067"
                        yFract="0.62560965"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.71937426"
                        xFract="0.82800666"
                        y3="7.06326544"
                        yFract="0.75060965"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="7.95692622"
                        xFract="0.16133999"
                        y3="7.84743526"
                        yFract="0.83394298"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.79855827"
                        xFract="0.82800666"
                        y3="4.7107559"
                        yFract="0.50060965"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.91733424"
                        xFract="0.49467332"
                        y3="5.10284086"
                        yFract="0.54227632"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.71937426"
                        xFract="0.82800666"
                        y3="7.06326544"
                        yFract="0.75060965"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.83815023"
                        xFract="0.49467332"
                        y3="7.4553504"
                        yFract="0.79227632"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.67978226"
                        xFract="0.82800666"
                        y3="8.23952021"
                        yFract="0.87560965"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.75896627"
                        xFract="0.82800666"
                        y3="5.88701067"
                        yFract="0.62560965"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.79855827"
                        xFract="0.82800666"
                        y3="4.7107559"
                        yFract="0.50060965"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.99651823"
                        xFract="0.16133999"
                        y3="6.67118049"
                        yFract="0.70894298"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.91733424"
                        xFract="0.49467332"
                        y3="5.10284086"
                        yFract="0.54227632"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.03611023"
                        xFract="0.16133999"
                        y3="5.49492572"
                        yFract="0.58394298"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.79855823"
                        xFract="0.49467332"
                        y3="8.63160517"
                        yFract="0.91727632"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.79855827"
                        xFract="0.82800666"
                        y3="4.7107559"
                        yFract="0.50060965"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="8.91733422"
                        xFract="0.16133999"
                        y3="9.02369003"
                        yFract="0.95894298"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.87774224"
                        xFract="0.49467332"
                        y3="6.27909563"
                        yFract="0.66727632"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.83815023"
                        xFract="0.49467332"
                        y3="7.4553504"
                        yFract="0.79227632"
                        z3="3.75345712"
                        zFract="0.11764706"/>
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                        id="a29"
                        x3="14.67978226"
                        xFract="0.82800666"
                        y3="8.23952021"
                        yFract="0.87560965"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.71937426"
                        xFract="0.82800666"
                        y3="7.06326544"
                        yFract="0.75060965"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.95692622"
                        xFract="0.16133999"
                        y3="7.84743526"
                        yFract="0.83394298"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.19447824"
                        xFract="0.16133999"
                        y3="0.78990664"
                        yFract="0.08394298"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.83815027"
                        xFract="0.82800666"
                        y3="3.53450114"
                        yFract="0.37560965"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.91733428"
                        xFract="0.82800666"
                        y3="1.1819916"
                        yFract="0.12560965"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="7.95692628"
                        xFract="0.82800666"
                        y3="0.00573683"
                        yFract="0.00060965"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.15488624"
                        xFract="0.16133999"
                        y3="1.96616141"
                        yFract="0.20894298"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.07570225"
                        xFract="0.49467332"
                        y3="0.39782178"
                        yFract="0.04227632"
                        z3="3.75345712"
                        zFract="0.11764706"/>
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                        id="a38"
                        x3="5.07570225"
                        xFract="0.49467332"
                        y3="0.39782178"
                        yFract="0.04227632"
                        z3="14.27419964"
                        zFract="0.44740557"/>
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                        id="a39"
                        x3="7.95692624"
                        xFract="0.49467332"
                        y3="3.92658609"
                        yFract="0.41727632"
                        z3="6.38364283"
                        zFract="0.20008669"/>
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                        yFract="0.45894298"
                        z3="5.50691415"
                        zFract="0.17260681"/>
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                        id="a42"
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                        xFract="0.49467332"
                        y3="1.57407655"
                        yFract="0.16727632"
                        z3="6.38364283"
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                        xFract="0.16133999"
                        y3="3.14241618"
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                        z3="13.39747096"
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                  <bond atomRefs2="a46 a69" order="S"/>
                  <bond atomRefs2="a46 a61" order="S"/>
                  <bond atomRefs2="a48 a67" order="S"/>
                  <bond atomRefs2="a51 a67" order="S"/>
                  <bond atomRefs2="a51 a64" order="S"/>
                  <bond atomRefs2="a52 a71" order="S"/>
                  <bond atomRefs2="a57 a68" order="S"/>
                  <bond atomRefs2="a58 a71" order="S"/>
                  <bond atomRefs2="a59 a65" order="S"/>
                  <bond atomRefs2="a59 a71" order="S"/>
                  <bond atomRefs2="a60 a66" order="S"/>
               </bondArray>
               <formula concise="Cu60O12">
                  <atomArray count="60 12" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4004.752799999998</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.12O">
                  <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/rA:72CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4O4O1O3O4O3OO4O3O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s3s46;s3s21s22s31;s4s12s19s20;s51;s32s36s59;s14s15s33s60;s38s48s51;s42s57;s1s36s37s46;s34s40s44;s23s52s58s59;s39s41s42s43;/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">732.0000</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 12</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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               </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">-270.81925399</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-270.80717567</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-270.81321483</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.4424</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.6957450E+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="2.19448"
                        xFract="0.16133989"
                        y3="0.78991"
                        yFract="0.08394334"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.26028"
                        xFract="0.21374668"
                        y3="7.60253"
                        yFract="0.80791702"
                        z3="8.17746"
                        zFract="0.25631147"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.03611"
                        xFract="0.1613396"
                        y3="5.49493"
                        yFract="0.58394343"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.65728"
                        xFract="0.47328344"
                        y3="7.48543"
                        yFract="0.79547286"
                        z3="8.93252"
                        zFract="0.27997781"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.07664"
                        xFract="0.52448572"
                        y3="4.94728"
                        yFract="0.52574495"
                        z3="8.43762"
                        zFract="0.26446584"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.32769"
                        xFract="0.457673"
                        y3="6.04064"
                        yFract="0.64193576"
                        z3="10.71719"
                        zFract="0.33591589"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.62256"
                        xFract="0.09404735"
                        y3="7.00471"
                        yFract="0.74438699"
                        z3="10.10783"
                        zFract="0.31681632"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.87139"
                        xFract="0.46872363"
                        y3="9.02604"
                        yFract="0.95919271"
                        z3="10.82297"
                        zFract="0.33923142"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.16889"
                        xFract="0.21458965"
                        y3="8.70543"
                        yFract="0.92512165"
                        z3="10.39334"
                        zFract="0.32576525"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.44517"
                        xFract="0.20487559"
                        y3="5.48383"
                        yFract="0.58276384"
                        z3="12.22937"
                        zFract="0.38331314"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.5328"
                        xFract="0.93985994"
                        y3="5.51908"
                        yFract="0.58650984"
                        z3="11.9258"
                        zFract="0.37379814"/>
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                        id="a12"
                        x3="13.80526"
                        xFract="0.83170514"
                        y3="7.12495"
                        yFract="0.75716484"
                        z3="9.71362"
                        zFract="0.30446034"/>
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                        x3="7.98982"
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                        y3="7.37344"
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                        id="a14"
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                        y3="5.17627"
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                        z3="13.60657"
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                        y3="5.23229"
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                        z3="13.10604"
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                        y3="7.34425"
                        yFract="0.78046974"
                        z3="13.42541"
                        zFract="0.4208014"/>
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                        xFract="0.54302987"
                        y3="7.20026"
                        yFract="0.76516799"
                        z3="12.24907"
                        zFract="0.38393061"/>
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                        id="a18"
                        x3="14.7917"
                        xFract="0.84152847"
                        y3="8.21754"
                        yFract="0.87327382"
                        z3="11.7215"
                        zFract="0.36739464"/>
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                        id="a19"
                        x3="12.75897"
                        xFract="0.82800711"
                        y3="5.88701"
                        yFract="0.62560958"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.52945"
                        xFract="0.80694038"
                        y3="4.62896"
                        yFract="0.49191724"
                        z3="9.94356"
                        zFract="0.3116675"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.99652"
                        xFract="0.16134022"
                        y3="6.67118"
                        yFract="0.70894293"
                        z3="5.50691"
                        zFract="0.17260668"/>
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                        id="a22"
                        x3="8.91733"
                        xFract="0.49467295"
                        y3="5.10284"
                        yFract="0.54227623"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.22206"
                        xFract="0.14764625"
                        y3="5.88374"
                        yFract="0.62526208"
                        z3="7.78755"
                        zFract="0.24409027"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.79856"
                        xFract="0.49467309"
                        y3="8.63161"
                        yFract="0.91727683"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.79856"
                        xFract="0.82800649"
                        y3="4.71076"
                        yFract="0.50061009"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="8.91733"
                        xFract="0.16133955"
                        y3="9.02369"
                        yFract="0.95894298"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.87774"
                        xFract="0.49467272"
                        y3="6.2791"
                        yFract="0.66727678"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.83815"
                        xFract="0.49467333"
                        y3="7.45535"
                        yFract="0.79227628"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.67978"
                        xFract="0.82800644"
                        y3="8.23952"
                        yFract="0.87560963"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.71937"
                        xFract="0.82800583"
                        y3="7.06327"
                        yFract="0.75061013"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.95693"
                        xFract="0.16133998"
                        y3="7.84744"
                        yFract="0.83394348"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.32033"
                        xFract="0.19987186"
                        y3="0.49081"
                        yFract="0.05215813"
                        z3="8.23461"
                        zFract="0.25810276"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.74559"
                        xFract="0.81612645"
                        y3="3.56088"
                        yFract="0.37841292"
                        z3="11.83884"
                        zFract="0.3710725"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.91733"
                        xFract="0.82800635"
                        y3="1.18199"
                        yFract="0.12560948"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="7.97864"
                        xFract="0.8312356"
                        y3="-0.00565"
                        yFract="-0.00060042"
                        z3="9.38712"
                        zFract="0.29422664"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.15489"
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                        y3="1.96616"
                        yFract="0.20894283"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
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                        y3="0.39782"
                        yFract="0.04227613"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
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                        y3="0.30961"
                        yFract="0.0329021"
                        z3="13.16417"
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                        y3="3.92659"
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                        z3="6.38364"
                        zFract="0.2000866"/>
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                        id="a40"
                        x3="7.95693"
                        xFract="0.82800678"
                        y3="0.00574"
                        yFract="0.00060999"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
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                        y3="4.31867"
                        yFract="0.45894288"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.03611"
                        xFract="0.494673"
                        y3="1.57408"
                        yFract="0.16727669"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="6.99652"
                        xFract="0.49467362"
                        y3="2.75033"
                        yFract="0.29227618"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.87774"
                        xFract="0.82800611"
                        y3="2.35825"
                        yFract="0.25061004"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="6.66517"
                        xFract="0.44048304"
                        y3="2.98193"
                        yFract="0.31688819"
                        z3="12.67164"
                        zFract="0.3971755"/>
                  <atom elementType="Cu"
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                        xFract="0.16133922"
                        y3="3.14242"
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                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.44031"
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                        y3="0.65207"
                        yFract="0.06929515"
                        z3="13.36536"
                        zFract="0.41891922"/>
                  <atom elementType="Cu"
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                        x3="4.16054"
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                        y3="3.13337"
                        yFract="0.33298165"
                        z3="12.50899"
                        zFract="0.39207745"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.91895"
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                        y3="2.7398"
                        yFract="0.29115716"
                        z3="9.63244"
                        zFract="0.30191586"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="8.96588"
                        xFract="0.83886976"
                        y3="1.11367"
                        yFract="0.11834915"
                        z3="11.50283"
                        zFract="0.36054072"/>
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                        id="a51"
                        x3="2.45185"
                        xFract="0.20322559"
                        y3="0.61244"
                        yFract="0.06508369"
                        z3="12.61201"
                        zFract="0.39530647"/>
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                        id="a52"
                        x3="5.42469"
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                        y3="3.93478"
                        yFract="0.41814708"
                        z3="10.52684"
                        zFract="0.32994963"/>
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                        id="a53"
                        x3="8.15341"
                        xFract="0.50770864"
                        y3="4.0139"
                        yFract="0.42655513"
                        z3="11.04704"
                        zFract="0.3462546"/>
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                        id="a54"
                        x3="10.83815"
                        xFract="0.82800673"
                        y3="3.5345"
                        yFract="0.37560953"
                        z3="7.26037"
                        zFract="0.22756652"/>
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                        id="a55"
                        x3="3.18323"
                        xFract="0.15909858"
                        y3="2.02724"
                        yFract="0.21543377"
                        z3="10.41831"
                        zFract="0.3265479"/>
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                        id="a56"
                        x3="6.28022"
                        xFract="0.55358902"
                        y3="1.18005"
                        yFract="0.12540332"
                        z3="10.98463"
                        zFract="0.34429844"/>
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                        id="a57"
                        x3="5.07793"
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                        y3="0.64894"
                        yFract="0.06896253"
                        z3="8.99675"
                        zFract="0.28199102"/>
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                        id="a58"
                        x3="7.36214"
                        xFract="0.54125971"
                        y3="2.65015"
                        yFract="0.2816301"
                        z3="9.00101"
                        zFract="0.28212454"/>
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                        id="a59"
                        x3="4.18599"
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                        y3="3.09784"
                        yFract="0.32920589"
                        z3="8.13552"
                        zFract="0.25499692"/>
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                        id="a60"
                        x3="8.89293"
                        xFract="0.70179698"
                        y3="2.63665"
                        yFract="0.28019546"
                        z3="13.44361"
                        zFract="0.42137186"/>
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                        id="a61"
                        x3="4.5955"
                        xFract="0.07800649"
                        y3="4.71076"
                        yFract="0.50061009"
                        z3="2.0000"
                        zFract="0.06268731"/>
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                        y3="6.2791"
                        yFract="0.66727678"
                        z3="3.75346"
                        zFract="0.11764715"/>
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                        x3="12.21418"
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                        y3="6.2485"
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                        x3="0.79948"
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                        x3="10.1938"
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                        z3="13.70919"
                        zFract="0.4296961"/>
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                        id="a67"
                        x3="3.74166"
                        xFract="0.25168688"
                        y3="1.6221"
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                        z3="13.5465"
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                        x3="5.78919"
                        xFract="0.26157435"
                        y3="4.0135"
                        yFract="0.42651262"
                        z3="8.62323"
                        zFract="0.27028353"/>
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                        id="a72"
                        x3="6.51631"
                        xFract="0.41133923"
                        y3="3.14242"
                        yFract="0.33394339"
                        z3="5.50691"
                        zFract="0.17260668"/>
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                  <bond atomRefs2="a15 a66" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
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                  <bond atomRefs2="a22 a62" order="S"/>
                  <bond atomRefs2="a23 a71" order="S"/>
                  <bond atomRefs2="a31 a62" order="S"/>
                  <bond atomRefs2="a32 a65" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a70" order="S"/>
                  <bond atomRefs2="a35 a56" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a36 a65" order="S"/>
                  <bond atomRefs2="a36 a69" order="S"/>
                  <bond atomRefs2="a37 a69" order="S"/>
                  <bond atomRefs2="a38 a56" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a67" order="S"/>
                  <bond atomRefs2="a39 a72" order="S"/>
                  <bond atomRefs2="a40 a70" order="S"/>
                  <bond atomRefs2="a41 a72" order="S"/>
                  <bond atomRefs2="a42 a68" order="S"/>
                  <bond atomRefs2="a42 a72" order="S"/>
                  <bond atomRefs2="a43 a72" order="S"/>
                  <bond atomRefs2="a44 a70" order="S"/>
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                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
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                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a46 a61" order="S"/>
                  <bond atomRefs2="a46 a69" order="S"/>
                  <bond atomRefs2="a47 a60" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a48 a67" order="S"/>
                  <bond atomRefs2="a49 a54" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a58" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a67" order="S"/>
                  <bond atomRefs2="a51 a64" order="S"/>
                  <bond atomRefs2="a52 a71" order="S"/>
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                  <bond atomRefs2="a57 a68" order="S"/>
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                  <bond atomRefs2="a59 a71" order="S"/>
                  <bond atomRefs2="a60 a66" order="S"/>
               </bondArray>
               <formula concise="Cu60O12">
                  <atomArray count="60 12" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4004.752799999998</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.12O">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
