<?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">2022-08-03T22:27:33.000</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>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.30136731"
                        xFract="0.16562201"
                        y3="0.87045102"
                        yFract="0.09250239"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.06381529"
                        xFract="0.16562201"
                        y3="7.92797963"
                        yFract="0.84250239"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.1429993"
                        xFract="0.16562201"
                        y3="5.57547009"
                        yFract="0.59250239"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.9450393"
                        xFract="0.49895534"
                        y3="7.53589477"
                        yFract="0.80083573"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.02422331"
                        xFract="0.49895534"
                        y3="5.18338523"
                        yFract="0.55083573"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.9846313"
                        xFract="0.49895534"
                        y3="6.35964"
                        yFract="0.67583573"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.10340729"
                        xFract="0.16562201"
                        y3="6.75172486"
                        yFract="0.71750239"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.9054473"
                        xFract="0.49895534"
                        y3="8.71214954"
                        yFract="0.92583573"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.02422329"
                        xFract="0.16562201"
                        y3="9.1042344"
                        yFract="0.96750239"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.1429993"
                        xFract="0.16562201"
                        y3="5.57547009"
                        yFract="0.59250239"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.86585524"
                        xFract="0.83228867"
                        y3="5.96755505"
                        yFract="0.63416906"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.82626324"
                        xFract="0.83228867"
                        y3="7.14380982"
                        yFract="0.75916906"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.06381529"
                        xFract="0.16562201"
                        y3="7.92797963"
                        yFract="0.84250239"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.90544724"
                        xFract="0.83228867"
                        y3="4.79130028"
                        yFract="0.50916906"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.02422331"
                        xFract="0.49895534"
                        y3="5.18338523"
                        yFract="0.55083573"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.82626324"
                        xFract="0.83228867"
                        y3="7.14380982"
                        yFract="0.75916906"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.9450393"
                        xFract="0.49895534"
                        y3="7.53589477"
                        yFract="0.80083573"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.78667123"
                        xFract="0.83228867"
                        y3="8.32006459"
                        yFract="0.88416906"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.86585524"
                        xFract="0.83228867"
                        y3="5.96755505"
                        yFract="0.63416906"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.90544724"
                        xFract="0.83228867"
                        y3="4.79130028"
                        yFract="0.50916906"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.10340729"
                        xFract="0.16562201"
                        y3="6.75172486"
                        yFract="0.71750239"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.02422331"
                        xFract="0.49895534"
                        y3="5.18338523"
                        yFract="0.55083573"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.1429993"
                        xFract="0.16562201"
                        y3="5.57547009"
                        yFract="0.59250239"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.9054473"
                        xFract="0.49895534"
                        y3="8.71214954"
                        yFract="0.92583573"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.90544724"
                        xFract="0.83228867"
                        y3="4.79130028"
                        yFract="0.50916906"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.02422329"
                        xFract="0.16562201"
                        y3="9.1042344"
                        yFract="0.96750239"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.9846313"
                        xFract="0.49895534"
                        y3="6.35964"
                        yFract="0.67583573"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.9450393"
                        xFract="0.49895534"
                        y3="7.53589477"
                        yFract="0.80083573"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.78667123"
                        xFract="0.83228867"
                        y3="8.32006459"
                        yFract="0.88416906"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.82626324"
                        xFract="0.83228867"
                        y3="7.14380982"
                        yFract="0.75916906"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.06381529"
                        xFract="0.16562201"
                        y3="7.92797963"
                        yFract="0.84250239"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.30136731"
                        xFract="0.16562201"
                        y3="0.87045102"
                        yFract="0.09250239"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.94503924"
                        xFract="0.83228867"
                        y3="3.61504551"
                        yFract="0.38416906"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.02422325"
                        xFract="0.83228867"
                        y3="1.26253597"
                        yFract="0.13416906"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.06381525"
                        xFract="0.83228867"
                        y3="0.0862812"
                        yFract="0.00916906"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.26177531"
                        xFract="0.16562201"
                        y3="2.04670579"
                        yFract="0.21750239"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.18259132"
                        xFract="0.49895534"
                        y3="0.47836616"
                        yFract="0.05083573"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.18259132"
                        xFract="0.49895534"
                        y3="0.47836616"
                        yFract="0.05083573"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.06381531"
                        xFract="0.49895534"
                        y3="4.00713046"
                        yFract="0.42583573"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.06381525"
                        xFract="0.83228867"
                        y3="0.0862812"
                        yFract="0.00916906"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.1825913"
                        xFract="0.16562201"
                        y3="4.39921533"
                        yFract="0.46750239"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.14299932"
                        xFract="0.49895534"
                        y3="1.65462093"
                        yFract="0.17583573"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.10340731"
                        xFract="0.49895534"
                        y3="2.8308757"
                        yFract="0.30083573"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.98463125"
                        xFract="0.83228867"
                        y3="2.43879074"
                        yFract="0.25916906"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.10340731"
                        xFract="0.49895534"
                        y3="2.8308757"
                        yFract="0.30083573"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.2221833"
                        xFract="0.16562201"
                        y3="3.22296056"
                        yFract="0.34250239"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.06381525"
                        xFract="0.83228867"
                        y3="0.0862812"
                        yFract="0.00916906"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.2221833"
                        xFract="0.16562201"
                        y3="3.22296056"
                        yFract="0.34250239"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.98463125"
                        xFract="0.83228867"
                        y3="2.43879074"
                        yFract="0.25916906"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.02422325"
                        xFract="0.83228867"
                        y3="1.26253597"
                        yFract="0.13416906"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.30136731"
                        xFract="0.16562201"
                        y3="0.87045102"
                        yFract="0.09250239"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.1825913"
                        xFract="0.16562201"
                        y3="4.39921533"
                        yFract="0.46750239"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="8.06381531"
                        xFract="0.49895534"
                        y3="4.00713046"
                        yFract="0.42583573"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.94503924"
                        xFract="0.83228867"
                        y3="3.61504551"
                        yFract="0.38416906"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.26177531"
                        xFract="0.16562201"
                        y3="2.04670579"
                        yFract="0.21750239"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="6.14299932"
                        xFract="0.49895534"
                        y3="1.65462093"
                        yFract="0.17583573"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.18259132"
                        xFract="0.49895534"
                        y3="0.47836616"
                        yFract="0.05083573"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="7.10340731"
                        xFract="0.49895534"
                        y3="2.8308757"
                        yFract="0.30083573"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.2221833"
                        xFract="0.16562201"
                        y3="3.22296056"
                        yFract="0.34250239"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.98463125"
                        xFract="0.83228867"
                        y3="2.43879074"
                        yFract="0.25916906"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="O"
                        id="a61"
                        x3="7.58361131"
                        xFract="0.24895534"
                        y3="6.35964"
                        yFract="0.67583573"
                        z3="13.39747096"
                        zFract="0.41992569"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a10 a61" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a15 a61" order="S"/>
               </bondArray>
               <formula concise="Cu60O">
                  <atomArray count="60 1" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3828.7593999999963</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.O">
                  <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/rA:61CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s10s13s15;/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">666.0000</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 1</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="7">1 2 3 4 5 6 7</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">-196.17046999</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-196.15865888</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-196.16456443</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.4607</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1633585E+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="2.30137"
                        xFract="0.16562238"
                        y3="0.87045"
                        yFract="0.09250228"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.20298"
                        xFract="0.19147958"
                        y3="7.79427"
                        yFract="0.82829314"
                        z3="6.62594"
                        zFract="0.20768117"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.1430"
                        xFract="0.16562209"
                        y3="5.57547"
                        yFract="0.59250238"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.88962"
                        xFract="0.49761382"
                        y3="7.4838"
                        yFract="0.79529964"
                        z3="7.47732"
                        zFract="0.23436653"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.03366"
                        xFract="0.50059298"
                        y3="5.17568"
                        yFract="0.5500169"
                        z3="7.55329"
                        zFract="0.23674771"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.49602"
                        xFract="0.57430472"
                        y3="6.09966"
                        yFract="0.64820779"
                        z3="9.49654"
                        zFract="0.29765626"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.90883"
                        xFract="0.13185614"
                        y3="6.91059"
                        yFract="0.73438491"
                        z3="8.57162"
                        zFract="0.26866589"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.54721"
                        xFract="0.42925532"
                        y3="9.09325"
                        yFract="0.96633508"
                        z3="9.21162"
                        zFract="0.28872583"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.01394"
                        xFract="0.1876691"
                        y3="8.83231"
                        yFract="0.93860512"
                        z3="8.79643"
                        zFract="0.27571226"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.99696"
                        xFract="0.12556089"
                        y3="5.86783"
                        yFract="0.62357133"
                        z3="10.82189"
                        zFract="0.33919757"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.21422"
                        xFract="0.888321"
                        y3="5.73513"
                        yFract="0.60946937"
                        z3="10.21551"
                        zFract="0.32019141"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.98374"
                        xFract="0.87069265"
                        y3="6.88495"
                        yFract="0.73166016"
                        z3="8.22433"
                        zFract="0.25778055"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="7.74816"
                        xFract="0.12556202"
                        y3="8.01259"
                        yFract="0.85149389"
                        z3="10.82189"
                        zFract="0.33919757"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.40657"
                        xFract="0.74518449"
                        y3="5.20487"
                        yFract="0.55311891"
                        z3="11.67265"
                        zFract="0.3658635"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.99616"
                        xFract="0.49408521"
                        y3="5.2063"
                        yFract="0.55327087"
                        z3="11.36509"
                        zFract="0.35622344"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.63641"
                        xFract="0.7813259"
                        y3="7.51074"
                        yFract="0.79816255"
                        z3="11.84447"
                        zFract="0.37124897"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.28354"
                        xFract="0.51932183"
                        y3="7.71091"
                        yFract="0.81943451"
                        z3="11.14998"
                        zFract="0.34948111"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.78695"
                        xFract="0.83233679"
                        y3="8.31984"
                        yFract="0.88414519"
                        z3="9.96658"
                        zFract="0.31238903"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.86586"
                        xFract="0.83228874"
                        y3="5.96756"
                        yFract="0.63416959"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.14015"
                        xFract="0.86611478"
                        y3="4.68087"
                        yFract="0.49743369"
                        z3="8.23088"
                        zFract="0.25798585"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.10341"
                        xFract="0.16562271"
                        y3="6.75172"
                        yFract="0.71750187"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.02422"
                        xFract="0.49895459"
                        y3="5.18339"
                        yFract="0.55083624"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.30184"
                        xFract="0.19147945"
                        y3="5.46586"
                        yFract="0.58085418"
                        z3="6.62594"
                        zFract="0.20768117"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.90545"
                        xFract="0.49895558"
                        y3="8.71215"
                        yFract="0.92583578"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.90545"
                        xFract="0.83228898"
                        y3="4.7913"
                        yFract="0.50916903"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.02422"
                        xFract="0.16562204"
                        y3="9.10423"
                        yFract="0.96750192"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.98463"
                        xFract="0.4989552"
                        y3="6.35964"
                        yFract="0.67583573"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.94504"
                        xFract="0.49895582"
                        y3="7.53589"
                        yFract="0.80083522"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.78667"
                        xFract="0.83228893"
                        y3="8.32006"
                        yFract="0.88416857"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.82626"
                        xFract="0.83228832"
                        y3="7.14381"
                        yFract="0.75916908"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.06382"
                        xFract="0.16562247"
                        y3="7.92798"
                        yFract="0.84250243"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.37829"
                        xFract="0.18909836"
                        y3="0.68852"
                        yFract="0.07316867"
                        z3="6.7127"
                        zFract="0.21040054"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="11.1518"
                        xFract="0.86816905"
                        y3="3.44623"
                        yFract="0.36622912"
                        z3="10.09155"
                        zFract="0.31630605"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.02422"
                        xFract="0.83228799"
                        y3="1.26254"
                        yFract="0.13416949"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.34894"
                        xFract="0.87069245"
                        y3="-0.01624"
                        yFract="-0.00172582"
                        z3="8.22433"
                        zFract="0.25778055"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.26178"
                        xFract="0.16562214"
                        y3="2.04671"
                        yFract="0.21750284"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.18259"
                        xFract="0.49895488"
                        y3="0.47837"
                        yFract="0.05083614"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.23597"
                        xFract="0.50821876"
                        y3="0.43478"
                        yFract="0.04620385"
                        z3="11.13173"
                        zFract="0.34890909"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.06382"
                        xFract="0.49895587"
                        y3="4.00713"
                        yFract="0.42583568"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.06382"
                        xFract="0.83228927"
                        y3="0.08628"
                        yFract="0.00916893"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.18259"
                        xFract="0.16562148"
                        y3="4.39922"
                        yFract="0.46750289"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.1430"
                        xFract="0.49895549"
                        y3="1.65462"
                        yFract="0.17583563"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.10341"
                        xFract="0.49895525"
                        y3="2.83088"
                        yFract="0.30083619"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.98463"
                        xFract="0.8322886"
                        y3="2.43879"
                        yFract="0.25916898"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="6.99963"
                        xFract="0.5193221"
                        y3="2.46421"
                        yFract="0.26187035"
                        z3="11.14998"
                        zFract="0.34948111"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.22218"
                        xFract="0.16562171"
                        y3="3.22296"
                        yFract="0.34250233"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.66633"
                        xFract="0.78132634"
                        y3="0.19891"
                        yFract="0.02113807"
                        z3="11.84447"
                        zFract="0.37124897"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.10298"
                        xFract="0.14882352"
                        y3="3.27456"
                        yFract="0.34798584"
                        z3="10.65517"
                        zFract="0.33397196"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.13977"
                        xFract="0.86611435"
                        y3="2.23092"
                        yFract="0.23707874"
                        z3="8.23088"
                        zFract="0.25798585"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.32162"
                        xFract="0.88832084"
                        y3="0.96769"
                        yFract="0.10283593"
                        z3="10.21551"
                        zFract="0.32019141"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.22697"
                        xFract="0.14882406"
                        y3="0.97692"
                        yFract="0.10381679"
                        z3="10.65517"
                        zFract="0.33397196"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.44696"
                        xFract="0.18766821"
                        y3="4.46368"
                        yFract="0.47435302"
                        z3="8.79643"
                        zFract="0.27571226"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="8.42082"
                        xFract="0.57430467"
                        y3="3.55807"
                        yFract="0.3781143"
                        z3="9.49654"
                        zFract="0.29765626"/>
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                        id="a54"
                        x3="10.94504"
                        xFract="0.83228837"
                        y3="3.61505"
                        yFract="0.38416954"
                        z3="6.38364"
                        zFract="0.2000866"/>
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                        id="a55"
                        x3="3.17057"
                        xFract="0.14979402"
                        y3="2.12118"
                        yFract="0.22541673"
                        z3="8.60701"
                        zFract="0.26977514"/>
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                        id="a56"
                        x3="5.69795"
                        xFract="0.42925522"
                        y3="1.9294"
                        yFract="0.20503636"
                        z3="9.21162"
                        zFract="0.28872583"/>
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                        id="a57"
                        x3="5.16988"
                        xFract="0.49674987"
                        y3="0.48874"
                        yFract="0.05193815"
                        z3="7.36769"
                        zFract="0.23093032"/>
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                        id="a58"
                        x3="7.14336"
                        xFract="0.49761359"
                        y3="2.89559"
                        yFract="0.30771289"
                        z3="7.47732"
                        zFract="0.23436653"/>
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                        id="a59"
                        x3="4.41583"
                        xFract="0.18909978"
                        y3="3.18397"
                        yFract="0.33835888"
                        z3="6.7127"
                        zFract="0.21040054"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.47964"
                        xFract="0.74518384"
                        y3="2.84488"
                        yFract="0.30232396"
                        z3="11.67265"
                        zFract="0.3658635"/>
                  <atom elementType="O"
                        id="a61"
                        x3="7.57563"
                        xFract="0.24757086"
                        y3="6.36615"
                        yFract="0.67652754"
                        z3="11.80223"
                        zFract="0.36992501"/>
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               <bondArray>
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                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a53" order="S"/>
                  <bond atomRefs2="a5 a27" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a61" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a16" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a15 a60" order="S"/>
                  <bond atomRefs2="a15 a61" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a54" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a23 a39" order="S"/>
                  <bond atomRefs2="a23 a52" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a55" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a36 a59" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a56" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a41 a59" order="S"/>
                  <bond atomRefs2="a42 a59" order="S"/>
                  <bond atomRefs2="a42 a58" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a45 a56" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a54" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
               </bondArray>
               <formula concise="Cu60O">
                  <atomArray count="60 1" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3828.7593999999963</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.O">
                  <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/rA:61CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3/rB:;;;;s4s5;s2;s4;s2s4s8;s7;;s11;s7s9;s6s11;s6s14;s11;s6s8s14s16;s12s16;s12;s6s11s19;s2;;s7s21;s4;;s2;s2s4s5;;s12;;;;s14s20;;s34;s32;;;s5s23;;s23;;;;s38;;s38s45;;s33s34;s35s47s49;;s10s23s48;s5s15s45s49;s20s49;s32s48s51;s38s45s48s52s55;s42s56;s39s42s52s53s56;s36s41s42s52s55;s15s33s45s50s53;s10s13s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
