<?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">2022-08-03T22:27:36.000</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="2.30939371"
                        xFract="0.16701489"
                        y3="0.86389749"
                        yFract="0.09180595"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.07184169"
                        xFract="0.16701489"
                        y3="7.9214261"
                        yFract="0.84180595"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.1510257"
                        xFract="0.16701489"
                        y3="5.56891657"
                        yFract="0.59180595"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.9530657"
                        xFract="0.50034822"
                        y3="7.52934124"
                        yFract="0.80013929"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.03224971"
                        xFract="0.50034822"
                        y3="5.17683171"
                        yFract="0.55013929"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.9926577"
                        xFract="0.50034822"
                        y3="6.35308648"
                        yFract="0.67513929"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.11143369"
                        xFract="0.16701489"
                        y3="6.74517134"
                        yFract="0.71680595"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.9134737"
                        xFract="0.50034822"
                        y3="8.70559601"
                        yFract="0.92513929"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.03224969"
                        xFract="0.16701489"
                        y3="9.09768087"
                        yFract="0.96680595"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.1510257"
                        xFract="0.16701489"
                        y3="5.56891657"
                        yFract="0.59180595"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.87388164"
                        xFract="0.83368155"
                        y3="5.96100152"
                        yFract="0.63347262"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.83428963"
                        xFract="0.83368155"
                        y3="7.13725629"
                        yFract="0.75847262"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.07184169"
                        xFract="0.16701489"
                        y3="7.9214261"
                        yFract="0.84180595"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.91347364"
                        xFract="0.83368155"
                        y3="4.78474675"
                        yFract="0.50847262"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.03224971"
                        xFract="0.50034822"
                        y3="5.17683171"
                        yFract="0.55013929"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.83428963"
                        xFract="0.83368155"
                        y3="7.13725629"
                        yFract="0.75847262"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.9530657"
                        xFract="0.50034822"
                        y3="7.52934124"
                        yFract="0.80013929"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.79469763"
                        xFract="0.83368155"
                        y3="8.31351106"
                        yFract="0.88347262"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.87388164"
                        xFract="0.83368155"
                        y3="5.96100152"
                        yFract="0.63347262"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.91347364"
                        xFract="0.83368155"
                        y3="4.78474675"
                        yFract="0.50847262"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.11143369"
                        xFract="0.16701489"
                        y3="6.74517134"
                        yFract="0.71680595"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.03224971"
                        xFract="0.50034822"
                        y3="5.17683171"
                        yFract="0.55013929"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.1510257"
                        xFract="0.16701489"
                        y3="5.56891657"
                        yFract="0.59180595"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.9134737"
                        xFract="0.50034822"
                        y3="8.70559601"
                        yFract="0.92513929"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.91347364"
                        xFract="0.83368155"
                        y3="4.78474675"
                        yFract="0.50847262"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.03224969"
                        xFract="0.16701489"
                        y3="9.09768087"
                        yFract="0.96680595"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.9926577"
                        xFract="0.50034822"
                        y3="6.35308648"
                        yFract="0.67513929"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.9530657"
                        xFract="0.50034822"
                        y3="7.52934124"
                        yFract="0.80013929"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.79469763"
                        xFract="0.83368155"
                        y3="8.31351106"
                        yFract="0.88347262"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.83428963"
                        xFract="0.83368155"
                        y3="7.13725629"
                        yFract="0.75847262"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.07184169"
                        xFract="0.16701489"
                        y3="7.9214261"
                        yFract="0.84180595"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.30939371"
                        xFract="0.16701489"
                        y3="0.86389749"
                        yFract="0.09180595"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.95306564"
                        xFract="0.83368155"
                        y3="3.60849198"
                        yFract="0.38347262"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.03224965"
                        xFract="0.83368155"
                        y3="1.25598245"
                        yFract="0.13347262"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.07184165"
                        xFract="0.83368155"
                        y3="0.07972768"
                        yFract="0.00847262"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.26980171"
                        xFract="0.16701489"
                        y3="2.04015226"
                        yFract="0.21680595"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.19061772"
                        xFract="0.50034822"
                        y3="0.47181263"
                        yFract="0.05013929"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.19061772"
                        xFract="0.50034822"
                        y3="0.47181263"
                        yFract="0.05013929"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.07184171"
                        xFract="0.50034822"
                        y3="4.00057694"
                        yFract="0.42513929"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.07184165"
                        xFract="0.83368155"
                        y3="0.07972768"
                        yFract="0.00847262"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.1906177"
                        xFract="0.16701489"
                        y3="4.3926618"
                        yFract="0.46680595"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.15102572"
                        xFract="0.50034822"
                        y3="1.6480674"
                        yFract="0.17513929"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.11143371"
                        xFract="0.50034822"
                        y3="2.82432217"
                        yFract="0.30013929"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.99265765"
                        xFract="0.83368155"
                        y3="2.43223721"
                        yFract="0.25847262"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.11143371"
                        xFract="0.50034822"
                        y3="2.82432217"
                        yFract="0.30013929"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.2302097"
                        xFract="0.16701489"
                        y3="3.21640703"
                        yFract="0.34180595"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.07184165"
                        xFract="0.83368155"
                        y3="0.07972768"
                        yFract="0.00847262"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.2302097"
                        xFract="0.16701489"
                        y3="3.21640703"
                        yFract="0.34180595"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.99265765"
                        xFract="0.83368155"
                        y3="2.43223721"
                        yFract="0.25847262"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.03224965"
                        xFract="0.83368155"
                        y3="1.25598245"
                        yFract="0.13347262"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.30939371"
                        xFract="0.16701489"
                        y3="0.86389749"
                        yFract="0.09180595"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.1906177"
                        xFract="0.16701489"
                        y3="4.3926618"
                        yFract="0.46680595"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="8.07184171"
                        xFract="0.50034822"
                        y3="4.00057694"
                        yFract="0.42513929"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.95306564"
                        xFract="0.83368155"
                        y3="3.60849198"
                        yFract="0.38347262"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.26980171"
                        xFract="0.16701489"
                        y3="2.04015226"
                        yFract="0.21680595"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="6.15102572"
                        xFract="0.50034822"
                        y3="1.6480674"
                        yFract="0.17513929"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.19061772"
                        xFract="0.50034822"
                        y3="0.47181263"
                        yFract="0.05013929"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="7.11143371"
                        xFract="0.50034822"
                        y3="2.82432217"
                        yFract="0.30013929"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.2302097"
                        xFract="0.16701489"
                        y3="3.21640703"
                        yFract="0.34180595"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.99265765"
                        xFract="0.83368155"
                        y3="2.43223721"
                        yFract="0.25847262"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="O"
                        id="a61"
                        x3="9.51245365"
                        xFract="0.58368155"
                        y3="4.78474675"
                        yFract="0.50847262"
                        z3="6.38364283"
                        zFract="0.20008669"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a5 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a39 a61" order="S"/>
                  <bond atomRefs2="a54 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:61CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s5s27s39s54;/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">-197.29242712</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-197.28003954</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-197.28623333</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.3900</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.9482592E-01</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="2.30939"
                        xFract="0.16701429"
                        y3="0.8639"
                        yFract="0.09180622"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.63057"
                        xFract="0.08822846"
                        y3="8.30771"
                        yFract="0.88285614"
                        z3="6.29702"
                        zFract="0.19737161"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.15103"
                        xFract="0.16701505"
                        y3="5.56892"
                        yFract="0.59180631"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.89753"
                        xFract="0.48563833"
                        y3="7.63435"
                        yFract="0.81129852"
                        z3="7.26761"
                        zFract="0.22779345"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.50683"
                        xFract="0.40916786"
                        y3="5.60584"
                        yFract="0.59572978"
                        z3="7.85279"
                        zFract="0.24613513"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.27317"
                        xFract="0.48488069"
                        y3="6.87858"
                        yFract="0.73098322"
                        z3="9.30323"
                        zFract="0.29159722"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.67844"
                        xFract="0.09187424"
                        y3="7.09871"
                        yFract="0.75437633"
                        z3="8.05196"
                        zFract="0.25237785"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.6423"
                        xFract="0.45146743"
                        y3="8.94844"
                        yFract="0.9509462"
                        z3="9.2932"
                        zFract="0.29128284"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.9696"
                        xFract="0.17576903"
                        y3="8.91798"
                        yFract="0.94770923"
                        z3="8.30071"
                        zFract="0.26017458"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.72554"
                        xFract="0.23150602"
                        y3="5.51397"
                        yFract="0.58596681"
                        z3="10.2729"
                        zFract="0.32199022"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.9275"
                        xFract="0.95127131"
                        y3="5.86826"
                        yFract="0.62361703"
                        z3="10.10418"
                        zFract="0.31670192"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.30387"
                        xFract="0.74498287"
                        y3="7.53095"
                        yFract="0.80031025"
                        z3="8.2542"
                        zFract="0.25871679"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.24058"
                        xFract="0.23150666"
                        y3="7.3695"
                        yFract="0.78315304"
                        z3="10.2729"
                        zFract="0.32199022"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.70977"
                        xFract="0.72993717"
                        y3="5.75556"
                        yFract="0.61164045"
                        z3="10.9100"
                        zFract="0.34195926"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.29479"
                        xFract="0.54590864"
                        y3="4.96247"
                        yFract="0.52735918"
                        z3="10.48685"
                        zFract="0.32869619"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="12.88826"
                        xFract="0.65424775"
                        y3="8.08921"
                        yFract="0.85963626"
                        z3="11.03926"
                        zFract="0.34601074"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.46514"
                        xFract="0.3962812"
                        y3="8.15585"
                        yFract="0.86671806"
                        z3="11.31205"
                        zFract="0.35456098"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="15.33515"
                        xFract="0.92747053"
                        y3="7.87223"
                        yFract="0.8365779"
                        z3="10.05994"
                        zFract="0.31531528"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.87388"
                        xFract="0.83368151"
                        y3="5.9610"
                        yFract="0.63347246"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.38101"
                        xFract="0.90736538"
                        y3="4.49065"
                        yFract="0.47721911"
                        z3="8.5960"
                        zFract="0.26943005"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.11143"
                        xFract="0.16701462"
                        y3="6.74517"
                        yFract="0.71680581"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.03225"
                        xFract="0.5003484"
                        y3="5.17683"
                        yFract="0.55013911"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.6843"
                        xFract="0.08822895"
                        y3="5.92402"
                        yFract="0.62954261"
                        z3="6.29702"
                        zFract="0.19737161"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.91347"
                        xFract="0.5003475"
                        y3="8.7056"
                        yFract="0.92513971"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.91347"
                        xFract="0.83368089"
                        y3="4.78475"
                        yFract="0.50847297"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.03225"
                        xFract="0.167015"
                        y3="9.09768"
                        yFract="0.96680586"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.99266"
                        xFract="0.50034816"
                        y3="6.35309"
                        yFract="0.67513966"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.95307"
                        xFract="0.50034877"
                        y3="7.52934"
                        yFract="0.80013916"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.7947"
                        xFract="0.83368189"
                        y3="8.31351"
                        yFract="0.88347251"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.83429"
                        xFract="0.83368127"
                        y3="7.13726"
                        yFract="0.75847301"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.07184"
                        xFract="0.16701438"
                        y3="7.92143"
                        yFract="0.84180636"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.10151"
                        xFract="0.13180083"
                        y3="1.0235"
                        yFract="0.10876683"
                        z3="6.47212"
                        zFract="0.20285989"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="11.36758"
                        xFract="0.90561548"
                        y3="3.27004"
                        yFract="0.3475055"
                        z3="10.46712"
                        zFract="0.32807778"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.03225"
                        xFract="0.83368179"
                        y3="1.25598"
                        yFract="0.13347236"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="7.58002"
                        xFract="0.74498322"
                        y3="0.52069"
                        yFract="0.05533346"
                        z3="8.2542"
                        zFract="0.25871679"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.2698"
                        xFract="0.1670149"
                        y3="2.04015"
                        yFract="0.21680571"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.19062"
                        xFract="0.50034868"
                        y3="0.47181"
                        yFract="0.05013901"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.44287"
                        xFract="0.37058657"
                        y3="1.08234"
                        yFract="0.11501972"
                        z3="11.2565"
                        zFract="0.35281984"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.07184"
                        xFract="0.50034778"
                        y3="4.00058"
                        yFract="0.42513962"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.07184"
                        xFract="0.83368118"
                        y3="0.07973"
                        yFract="0.00847287"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.19062"
                        xFract="0.16701528"
                        y3="4.39266"
                        yFract="0.46680576"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.15103"
                        xFract="0.50034845"
                        y3="1.64807"
                        yFract="0.17513957"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.11143"
                        xFract="0.50034802"
                        y3="2.82432"
                        yFract="0.30013906"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.99266"
                        xFract="0.83368156"
                        y3="2.43224"
                        yFract="0.25847292"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="6.4000"
                        xFract="0.39628126"
                        y3="3.17709"
                        yFract="0.33762775"
                        z3="11.31205"
                        zFract="0.35456098"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.23021"
                        xFract="0.16701467"
                        y3="3.21641"
                        yFract="0.34180627"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="6.94992"
                        xFract="0.65424762"
                        y3="0.81626"
                        yFract="0.08674354"
                        z3="11.03926"
                        zFract="0.34601074"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.21687"
                        xFract="0.14602448"
                        y3="3.44697"
                        yFract="0.36630776"
                        z3="10.32019"
                        zFract="0.32347246"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.37432"
                        xFract="0.9073651"
                        y3="2.03297"
                        yFract="0.21604269"
                        z3="8.5960"
                        zFract="0.26943005"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.33384"
                        xFract="0.95127118"
                        y3="0.2422"
                        yFract="0.02573847"
                        z3="10.10418"
                        zFract="0.31670192"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.08083"
                        xFract="0.14602584"
                        y3="0.83085"
                        yFract="0.08829401"
                        z3="10.32019"
                        zFract="0.32347246"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.35415"
                        xFract="0.1757687"
                        y3="4.48998"
                        yFract="0.47714791"
                        z3="8.30071"
                        zFract="0.26017458"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="7.61306"
                        xFract="0.48488018"
                        y3="3.62063"
                        yFract="0.38476252"
                        z3="9.30323"
                        zFract="0.29159722"/>
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                        id="a54"
                        x3="10.95307"
                        xFract="0.83368217"
                        y3="3.60849"
                        yFract="0.38347241"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.27641"
                        xFract="0.16816224"
                        y3="2.03475"
                        yFract="0.21623185"
                        z3="8.48319"
                        zFract="0.26589417"/>
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                        id="a56"
                        x3="5.85885"
                        xFract="0.45146737"
                        y3="1.86519"
                        yFract="0.1982128"
                        z3="9.2932"
                        zFract="0.29128284"/>
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                        id="a57"
                        x3="5.06985"
                        xFract="0.47939043"
                        y3="0.57042"
                        yFract="0.06061825"
                        z3="7.3474"
                        zFract="0.23029436"/>
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                        id="a58"
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                        xFract="0.48563788"
                        y3="2.85774"
                        yFract="0.30369059"
                        z3="7.26761"
                        zFract="0.22779345"/>
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                        id="a59"
                        x3="4.03226"
                        xFract="0.13180136"
                        y3="3.38817"
                        yFract="0.36005911"
                        z3="6.47212"
                        zFract="0.20285989"/>
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                        id="a60"
                        x3="9.00072"
                        xFract="0.72993759"
                        y3="2.43766"
                        yFract="0.2590489"
                        z3="10.9100"
                        zFract="0.34195926"/>
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                        id="a61"
                        x3="9.51245"
                        xFract="0.58368089"
                        y3="4.78475"
                        yFract="0.50847297"
                        z3="6.38364"
                        zFract="0.2000866"/>
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               <bondArray>
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                  <bond atomRefs2="a2 a21" order="S"/>
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                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
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                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
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                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a53" order="S"/>
                  <bond atomRefs2="a11 a16" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a15 a60" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a23 a52" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a32 a55" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a57" order="S"/>
                  <bond atomRefs2="a35 a58" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a56" order="S"/>
                  <bond atomRefs2="a36 a59" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a38 a56" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a39 a61" order="S"/>
                  <bond atomRefs2="a41 a59" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a42 a58" order="S"/>
                  <bond atomRefs2="a45 a56" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a47 a60" order="S"/>
                  <bond atomRefs2="a47 a56" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a53 a56" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a57" 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">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
