<?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">2022-08-03T22:41:58.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.592691884</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="0.72469584"
                        xFract="0.05965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.28031097"
                        xFract="0.43465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="3.76177259"
                        xFract="0.30965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.31738772"
                        xFract="0.68465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.8359261"
                        xFract="0.80965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.35446447"
                        xFract="0.93465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="8.31738772"
                        xFract="0.68465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.72469584"
                        xFract="0.05965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.79884934"
                        xFract="0.55965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.79884934"
                        xFract="0.55965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.8359261"
                        xFract="0.80965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.31738772"
                        xFract="0.68465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.35446447"
                        xFract="0.93465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.79884934"
                        xFract="0.55965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.72469584"
                        xFract="0.05965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="8.31738772"
                        xFract="0.68465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.35446447"
                        xFract="0.93465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.8359261"
                        xFract="0.80965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.31738772"
                        xFract="0.68465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.35446447"
                        xFract="0.93465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="9.8359261"
                        xFract="0.80965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="11.35446447"
                        xFract="0.93465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.31738772"
                        xFract="0.68465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="9.8359261"
                        xFract="0.80965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.24323421"
                        xFract="0.18465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.79884934"
                        xFract="0.55965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.76177259"
                        xFract="0.30965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.24323421"
                        xFract="0.18465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.24323421"
                        xFract="0.18465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="5.28031097"
                        xFract="0.43465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.76177259"
                        xFract="0.30965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.24323421"
                        xFract="0.18465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="5.28031097"
                        xFract="0.43465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="3.76177259"
                        xFract="0.30965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.28031097"
                        xFract="0.43465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.28031097"
                        xFract="0.43465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="6.79884934"
                        xFract="0.55965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.24323421"
                        xFract="0.18465406"
                        y3="4.2516137"
                        yFract="0.49494055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="9.8359261"
                        xFract="0.80965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="11.35446447"
                        xFract="0.93465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="0.72469584"
                        xFract="0.05965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.76177259"
                        xFract="0.30965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="2.24323421"
                        xFract="0.18465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="5.28031097"
                        xFract="0.43465406"
                        y3="8.54668883"
                        yFract="0.99494055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="0.72469584"
                        xFract="0.05965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="6.79884934"
                        xFract="0.55965406"
                        y3="6.39915127"
                        yFract="0.74494055"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.76177259"
                        xFract="0.30965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="0.72469584"
                        xFract="0.05965406"
                        y3="2.10407613"
                        yFract="0.24494055"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="O"
                        id="a49"
                        x3="9.8359261"
                        xFract="0.80965406"
                        y3="7.47292005"
                        yFract="0.86994055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="O"
                        id="a50"
                        x3="6.79884934"
                        xFract="0.55965406"
                        y3="7.47292005"
                        yFract="0.86994055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="O"
                        id="a51"
                        x3="3.76177259"
                        xFract="0.30965406"
                        y3="3.17784492"
                        yFract="0.36994055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="O"
                        id="a52"
                        x3="0.72469584"
                        xFract="0.05965406"
                        y3="1.03030735"
                        yFract="0.11994055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a53"
                        x3="3.76177259"
                        xFract="0.30965406"
                        y3="1.03030735"
                        yFract="0.11994055"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="O"
                        id="a54"
                        x3="0.72469584"
                        xFract="0.05965406"
                        y3="1.03030735"
                        yFract="0.11994055"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="O"
                        id="a55"
                        x3="9.8359261"
                        xFract="0.80965406"
                        y3="7.47292005"
                        yFract="0.86994055"
                        z3="1.99999993"
                        zFract="0.08132497"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a52" order="S"/>
                  <bond atomRefs2="a4 a55" order="S"/>
                  <bond atomRefs2="a5 a55" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a15 a54" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a24 a49" order="S"/>
                  <bond atomRefs2="a26 a50" order="S"/>
                  <bond atomRefs2="a31 a53" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a47 a51" order="S"/>
                  <bond atomRefs2="a48 a54" order="S"/>
               </bondArray>
               <formula concise="Cu48O7">
                  <atomArray count="48 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3162.2037999999993</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.7O">
                  <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/rA:55CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4O1OOO3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s22s23s24s39;s7s26s35s46;s34s36s38s47;s1;s31s34;s15s48;s4s5s40;/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">570.0000</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">48 7</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">3 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">
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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">-197.79621007</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-197.79084980</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-197.79352993</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.5195</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1475392E-01</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.592691884</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="0.7247"
                        xFract="0.0596544"
                        y3="2.10408"
                        yFract="0.244941"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.28031"
                        xFract="0.43465398"
                        y3="8.54669"
                        yFract="0.99494069"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="3.2081"
                        xFract="0.26407795"
                        y3="6.14321"
                        yFract="0.71514581"
                        z3="5.9969"
                        zFract="0.24384886"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.31739"
                        xFract="0.68465425"
                        y3="8.54669"
                        yFract="0.99494069"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.83593"
                        xFract="0.80965438"
                        y3="6.39915"
                        yFract="0.7449404"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.54119"
                        xFract="0.95002456"
                        y3="-0.19837"
                        yFract="-0.02309273"
                        z3="4.65756"
                        zFract="0.18938797"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="8.69643"
                        xFract="0.7158553"
                        y3="0.0952"
                        yFract="0.01108246"
                        z3="4.55789"
                        zFract="0.18533514"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.71277"
                        xFract="0.05867237"
                        y3="6.10209"
                        yFract="0.71035894"
                        z3="5.8532"
                        zFract="0.23800567"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.52794"
                        xFract="0.53735389"
                        y3="6.19524"
                        yFract="0.72120275"
                        z3="7.99272"
                        zFract="0.32500387"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.79885"
                        xFract="0.55965411"
                        y3="2.10408"
                        yFract="0.244941"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.32474"
                        xFract="0.76757527"
                        y3="3.17818"
                        yFract="0.36997956"
                        z3="7.47351"
                        zFract="0.3038915"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.18182"
                        xFract="0.59117867"
                        y3="4.31664"
                        yFract="0.50251042"
                        z3="6.56029"
                        zFract="0.2667577"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.42633"
                        xFract="0.94056974"
                        y3="4.42828"
                        yFract="0.5155067"
                        z3="7.12031"
                        zFract="0.28952951"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="7.09074"
                        xFract="0.58368133"
                        y3="2.14545"
                        yFract="0.24975698"
                        z3="7.80705"
                        zFract="0.31745406"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.60642"
                        xFract="0.04991807"
                        y3="2.96561"
                        yFract="0.34523377"
                        z3="5.71809"
                        zFract="0.23251176"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="8.54901"
                        xFract="0.70372028"
                        y3="4.3896"
                        yFract="0.51100387"
                        z3="4.44147"
                        zFract="0.18060121"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.17266"
                        xFract="0.91968864"
                        y3="4.42396"
                        yFract="0.5150038"
                        z3="4.45325"
                        zFract="0.18108022"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.83593"
                        xFract="0.80965438"
                        y3="2.10408"
                        yFract="0.244941"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.31739"
                        xFract="0.68465425"
                        y3="4.25161"
                        yFract="0.49494012"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.35446"
                        xFract="0.93465369"
                        y3="4.25161"
                        yFract="0.49494012"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="10.57934"
                        xFract="0.87084892"
                        y3="1.95451"
                        yFract="0.2275292"
                        z3="5.71374"
                        zFract="0.23233488"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="11.47195"
                        xFract="0.944325"
                        y3="-0.52856"
                        yFract="-0.06153094"
                        z3="7.58543"
                        zFract="0.30844244"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="9.11283"
                        xFract="0.75013168"
                        y3="0.56528"
                        yFract="0.0658056"
                        z3="7.18913"
                        zFract="0.2923279"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.94078"
                        xFract="0.73596922"
                        y3="5.58584"
                        yFract="0.65026103"
                        z3="7.69459"
                        zFract="0.31288116"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.24323"
                        xFract="0.18465371"
                        y3="8.54669"
                        yFract="0.99494069"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.79885"
                        xFract="0.55965411"
                        y3="6.39915"
                        yFract="0.7449404"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.76177"
                        xFract="0.30965385"
                        y3="6.39915"
                        yFract="0.7449404"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.09678"
                        xFract="0.17259854"
                        y3="8.0101"
                        yFract="0.93247496"
                        z3="4.62219"
                        zFract="0.18794974"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.18039"
                        xFract="0.17948098"
                        y3="4.37126"
                        yFract="0.50886886"
                        z3="4.41533"
                        zFract="0.1795383"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="5.34874"
                        xFract="0.44028686"
                        y3="4.1481"
                        yFract="0.48289027"
                        z3="4.4418"
                        zFract="0.18061463"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.76177"
                        xFract="0.30965385"
                        y3="2.10408"
                        yFract="0.244941"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.24323"
                        xFract="0.18465371"
                        y3="4.25161"
                        yFract="0.49494012"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="5.28031"
                        xFract="0.43465398"
                        y3="4.25161"
                        yFract="0.49494012"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="3.06255"
                        xFract="0.25209686"
                        y3="2.38083"
                        yFract="0.27715813"
                        z3="5.8815"
                        zFract="0.23915641"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.20573"
                        xFract="0.42851485"
                        y3="0.07151"
                        yFract="0.00832465"
                        z3="4.6982"
                        zFract="0.19104049"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="4.74455"
                        xFract="0.39055236"
                        y3="4.39771"
                        yFract="0.51194797"
                        z3="6.9878"
                        zFract="0.28414132"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.0297"
                        xFract="0.66097276"
                        y3="2.20945"
                        yFract="0.25720737"
                        z3="5.56845"
                        zFract="0.22642702"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.00875"
                        xFract="0.16535226"
                        y3="4.22668"
                        yFract="0.49203796"
                        z3="7.27875"
                        zFract="0.29597207"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.35175"
                        xFract="0.85211462"
                        y3="6.42897"
                        yFract="0.74841182"
                        z3="5.84068"
                        zFract="0.23749657"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="11.35446"
                        xFract="0.93465369"
                        y3="8.54669"
                        yFract="0.99494069"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="0.7247"
                        xFract="0.0596544"
                        y3="6.39915"
                        yFract="0.7449404"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.50238"
                        xFract="0.3706179"
                        y3="7.60855"
                        yFract="0.88572956"
                        z3="7.47378"
                        zFract="0.30390248"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="2.00137"
                        xFract="0.16474477"
                        y3="7.97219"
                        yFract="0.92806176"
                        z3="7.20633"
                        zFract="0.2930273"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="6.67452"
                        xFract="0.54941977"
                        y3="8.56383"
                        yFract="0.99693599"
                        z3="6.83601"
                        zFract="0.27796916"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="0.78063"
                        xFract="0.06425834"
                        y3="6.03985"
                        yFract="0.70311343"
                        z3="8.22469"
                        zFract="0.33443635"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="5.70416"
                        xFract="0.46954362"
                        y3="6.25773"
                        yFract="0.72847736"
                        z3="5.72158"
                        zFract="0.23265367"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.7198"
                        xFract="0.38851504"
                        y3="1.43335"
                        yFract="0.16685971"
                        z3="7.56344"
                        zFract="0.30754828"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="-0.3956"
                        xFract="-0.03256421"
                        y3="2.0700"
                        yFract="0.24097367"
                        z3="7.8085"
                        zFract="0.31751303"/>
                  <atom elementType="O"
                        id="a49"
                        x3="9.77504"
                        xFract="0.80464216"
                        y3="7.34143"
                        yFract="0.85463348"
                        z3="7.54613"
                        zFract="0.30684441"/>
                  <atom elementType="O"
                        id="a50"
                        x3="6.88921"
                        xFract="0.56709219"
                        y3="7.73733"
                        yFract="0.90072115"
                        z3="4.96482"
                        zFract="0.20188193"/>
                  <atom elementType="O"
                        id="a51"
                        x3="3.57244"
                        xFract="0.29406896"
                        y3="3.03578"
                        yFract="0.35340243"
                        z3="7.64217"
                        zFract="0.31074963"/>
                  <atom elementType="O"
                        id="a52"
                        x3="0.7247"
                        xFract="0.0596544"
                        y3="1.03031"
                        yFract="0.11994086"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a53"
                        x3="3.4422"
                        xFract="0.28334812"
                        y3="0.8009"
                        yFract="0.09323469"
                        z3="4.85507"
                        zFract="0.19741922"/>
                  <atom elementType="O"
                        id="a54"
                        x3="0.78077"
                        xFract="0.06426986"
                        y3="0.59364"
                        yFract="0.06910706"
                        z3="7.97147"
                        zFract="0.32413979"/>
                  <atom elementType="O"
                        id="a55"
                        x3="9.83593"
                        xFract="0.80965438"
                        y3="7.47292"
                        yFract="0.86994054"
                        z3="2.0000"
                        zFract="0.08132497"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a52" order="S"/>
                  <bond atomRefs2="a3 a38" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a3 a28" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a3 a36" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a43" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a4 a55" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a5 a55" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a7 a18" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a8 a38" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a9 a44" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a10 a30" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a37" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a21" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a12 a46" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a37" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a15 a34" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a15 a38" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a17 a39" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a37" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a24 a49" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a50" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a30 a36" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a53" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a47 a51" order="S"/>
                  <bond atomRefs2="a48 a54" order="S"/>
               </bondArray>
               <formula concise="Cu48O7">
                  <atomArray count="48 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3162.2037999999993</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.7O">
                  <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/rA:55CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO3O4O1O3O1O3/rB:;;;;;;s3;;;;s9s11;s11;s11s12;s1;s5s12;s5s13s16;s7;s16;s17;s6s11s18;;s11s14s21s22;s9s11s12;;;s3;s3s8s25s27;s3s8s15;s10;;s29;s30;s15s29s31;;s3s12s30;s7s10s11s12s14s16s21s23;s3s8s15s34;s5s13s17s24;;s8s28s29;s3s9;s3s8s28s42;s9s42;s8s38s43;s3s9s12s26s30s36s42;s14s34;s15;s24s39;s26s44s46;s34s36s38s47;s1;s31s34s35;s48;s4s5s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
