<?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">2022-08-03T17:27:50.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">8.59015027</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="2.01152173"
                        xFract="0.23416607"
                        y3="2.04174746"
                        yFract="0.23768472"
                        z3="4.18928503"
                        zFract="0.48768472"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.30659686"
                        xFract="0.73416607"
                        y3="6.3368226"
                        yFract="0.73768472"
                        z3="4.18928503"
                        zFract="0.48768472"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.45413443"
                        xFract="0.98416607"
                        y3="6.3368226"
                        yFract="0.73768472"
                        z3="2.04174746"
                        zFract="0.23768472"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.45413443"
                        xFract="0.98416607"
                        y3="4.18928503"
                        yFract="0.48768472"
                        z3="4.18928503"
                        zFract="0.48768472"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.30659686"
                        xFract="0.73416607"
                        y3="4.18928503"
                        yFract="0.48768472"
                        z3="2.04174746"
                        zFract="0.23768472"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.45413443"
                        xFract="0.98416607"
                        y3="2.04174746"
                        yFract="0.23768472"
                        z3="2.04174746"
                        zFract="0.23768472"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.30659686"
                        xFract="0.73416607"
                        y3="2.04174746"
                        yFract="0.23768472"
                        z3="4.18928503"
                        zFract="0.48768472"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.30659686"
                        xFract="0.73416607"
                        y3="8.48436016"
                        yFract="0.98768472"
                        z3="2.04174746"
                        zFract="0.23768472"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.45413443"
                        xFract="0.98416607"
                        y3="8.48436016"
                        yFract="0.98768472"
                        z3="4.18928503"
                        zFract="0.48768472"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="4.1590593"
                        xFract="0.48416607"
                        y3="8.48436016"
                        yFract="0.98768472"
                        z3="8.48436016"
                        zFract="0.98768472"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.01152173"
                        xFract="0.23416607"
                        y3="8.48436016"
                        yFract="0.98768472"
                        z3="6.3368226"
                        zFract="0.73768472"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.1590593"
                        xFract="0.48416607"
                        y3="6.3368226"
                        yFract="0.73768472"
                        z3="6.3368226"
                        zFract="0.73768472"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.01152173"
                        xFract="0.23416607"
                        y3="6.3368226"
                        yFract="0.73768472"
                        z3="8.48436016"
                        zFract="0.98768472"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.45413443"
                        xFract="0.98416607"
                        y3="4.18928503"
                        yFract="0.48768472"
                        z3="8.48436016"
                        zFract="0.98768472"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.30659686"
                        xFract="0.73416607"
                        y3="4.18928503"
                        yFract="0.48768472"
                        z3="6.3368226"
                        zFract="0.73768472"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.1590593"
                        xFract="0.48416607"
                        y3="8.48436016"
                        yFract="0.98768472"
                        z3="4.18928503"
                        zFract="0.48768472"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.01152173"
                        xFract="0.23416607"
                        y3="8.48436016"
                        yFract="0.98768472"
                        z3="2.04174746"
                        zFract="0.23768472"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.1590593"
                        xFract="0.48416607"
                        y3="6.3368226"
                        yFract="0.73768472"
                        z3="2.04174746"
                        zFract="0.23768472"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.01152173"
                        xFract="0.23416607"
                        y3="6.3368226"
                        yFract="0.73768472"
                        z3="4.18928503"
                        zFract="0.48768472"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.30659686"
                        xFract="0.73416607"
                        y3="6.3368226"
                        yFract="0.73768472"
                        z3="8.48436016"
                        zFract="0.98768472"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.45413443"
                        xFract="0.98416607"
                        y3="6.3368226"
                        yFract="0.73768472"
                        z3="6.3368226"
                        zFract="0.73768472"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.1590593"
                        xFract="0.48416607"
                        y3="4.18928503"
                        yFract="0.48768472"
                        z3="8.48436016"
                        zFract="0.98768472"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.01152173"
                        xFract="0.23416607"
                        y3="4.18928503"
                        yFract="0.48768472"
                        z3="6.3368226"
                        zFract="0.73768472"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.1590593"
                        xFract="0.48416607"
                        y3="2.04174746"
                        yFract="0.23768472"
                        z3="6.3368226"
                        zFract="0.73768472"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.01152173"
                        xFract="0.23416607"
                        y3="2.04174746"
                        yFract="0.23768472"
                        z3="8.48436016"
                        zFract="0.98768472"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.30659686"
                        xFract="0.73416607"
                        y3="8.48436016"
                        yFract="0.98768472"
                        z3="6.3368226"
                        zFract="0.73768472"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="8.45413443"
                        xFract="0.98416607"
                        y3="8.48436016"
                        yFract="0.98768472"
                        z3="8.48436016"
                        zFract="0.98768472"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.1590593"
                        xFract="0.48416607"
                        y3="4.18928503"
                        yFract="0.48768472"
                        z3="4.18928503"
                        zFract="0.48768472"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.01152173"
                        xFract="0.23416607"
                        y3="4.18928503"
                        yFract="0.48768472"
                        z3="2.04174746"
                        zFract="0.23768472"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.1590593"
                        xFract="0.48416607"
                        y3="2.04174746"
                        yFract="0.23768472"
                        z3="2.04174746"
                        zFract="0.23768472"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.30659686"
                        xFract="0.73416607"
                        y3="2.04174746"
                        yFract="0.23768472"
                        z3="8.48436016"
                        zFract="0.98768472"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.45413443"
                        xFract="0.98416607"
                        y3="2.04174746"
                        yFract="0.23768472"
                        z3="6.3368226"
                        zFract="0.73768472"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.38036565"
                        xFract="0.85916607"
                        y3="7.41059138"
                        yFract="0.86268472"
                        z3="3.11551625"
                        zFract="0.36268472"/>
                  <atom elementType="O"
                        id="a34"
                        x3="5.23282808"
                        xFract="0.60916607"
                        y3="5.26305381"
                        yFract="0.61268472"
                        z3="0.96797868"
                        zFract="0.11268472"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.23282808"
                        xFract="0.60916607"
                        y3="0.96797868"
                        yFract="0.11268472"
                        z3="5.26305381"
                        zFract="0.61268472"/>
                  <atom elementType="O"
                        id="a36"
                        x3="0.93775295"
                        xFract="0.10916607"
                        y3="5.26305381"
                        yFract="0.61268472"
                        z3="5.26305381"
                        zFract="0.61268472"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.23282808"
                        xFract="0.60916607"
                        y3="0.96797868"
                        yFract="0.11268472"
                        z3="0.96797868"
                        zFract="0.11268472"/>
                  <atom elementType="O"
                        id="a38"
                        x3="7.38036565"
                        xFract="0.85916607"
                        y3="7.41059138"
                        yFract="0.86268472"
                        z3="7.41059138"
                        zFract="0.86268472"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.08529051"
                        xFract="0.35916607"
                        y3="7.41059138"
                        yFract="0.86268472"
                        z3="7.41059138"
                        zFract="0.86268472"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.93775295"
                        xFract="0.10916607"
                        y3="5.26305381"
                        yFract="0.61268472"
                        z3="0.96797868"
                        zFract="0.11268472"/>
                  <atom elementType="O"
                        id="a41"
                        x3="3.08529051"
                        xFract="0.35916607"
                        y3="7.41059138"
                        yFract="0.86268472"
                        z3="3.11551625"
                        zFract="0.36268472"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.93775295"
                        xFract="0.10916607"
                        y3="0.96797868"
                        yFract="0.11268472"
                        z3="5.26305381"
                        zFract="0.61268472"/>
                  <atom elementType="O"
                        id="a43"
                        x3="3.08529051"
                        xFract="0.35916607"
                        y3="3.11551625"
                        yFract="0.36268472"
                        z3="7.41059138"
                        zFract="0.86268472"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.93775295"
                        xFract="0.10916607"
                        y3="0.96797868"
                        yFract="0.11268472"
                        z3="0.96797868"
                        zFract="0.11268472"/>
                  <atom elementType="O"
                        id="a45"
                        x3="3.08529051"
                        xFract="0.35916607"
                        y3="3.11551625"
                        yFract="0.36268472"
                        z3="3.11551625"
                        zFract="0.36268472"/>
                  <atom elementType="O"
                        id="a46"
                        x3="7.38036565"
                        xFract="0.85916607"
                        y3="3.11551625"
                        yFract="0.36268472"
                        z3="7.41059138"
                        zFract="0.86268472"/>
                  <atom elementType="O"
                        id="a47"
                        x3="5.23282808"
                        xFract="0.60916607"
                        y3="5.26305381"
                        yFract="0.61268472"
                        z3="5.26305381"
                        zFract="0.61268472"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a45" order="S"/>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a2 a47" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a10 a39" order="S"/>
                  <bond atomRefs2="a11 a39" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a12 a47" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a14 a46" order="S"/>
                  <bond atomRefs2="a15 a46" order="S"/>
                  <bond atomRefs2="a15 a47" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a19 a41" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a20 a38" order="S"/>
                  <bond atomRefs2="a21 a38" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a28 a45" order="S"/>
                  <bond atomRefs2="a28 a47" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
                  <bond atomRefs2="a30 a45" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a31 a46" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
               </bondArray>
               <formula concise="Cu32O15">
                  <atomArray count="32 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2273.4630000000034</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.15O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OOOO1O4O4O1O4O1O4O0O4O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s3s8s9;s5s18;s7s24;s19s23;s30;s20s21s26s27;s10s11s12s13;s29;s16s17s18s19;s1;s22s23s24s25;;s1s28s29s30;s14s15s31s32;s2s12s15s28;/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">442.0000</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">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</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">32 15</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 4</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">-215.32393538</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-215.32393538</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-215.32393538</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">2.4294</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2228668E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.512311399</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.512311399</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">8.512311399</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>
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                        xFract="0.23017602"
                        y3="2.03923"
                        yFract="0.23956243"
                        z3="4.13534"
                        zFract="0.48580695"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.26543"
                        xFract="0.73604333"
                        y3="6.24544"
                        yFract="0.73369496"
                        z3="4.13534"
                        zFract="0.48580695"/>
                  <atom elementType="Cu"
                        id="a3"
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                        z3="2.03923"
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                        yFract="0.46512984"
                        z3="3.95933"
                        zFract="0.46512984"/>
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                        id="a5"
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                        id="a6"
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                        y3="2.21524"
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                        yFract="0.99167425"
                        z3="2.03923"
                        zFract="0.23956243"/>
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                        id="a9"
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                        id="a10"
                        x3="4.12018"
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                        y3="8.40629"
                        yFract="0.98754493"
                        z3="8.40629"
                        zFract="0.98754493"/>
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                        id="a11"
                        x3="1.99449"
                        xFract="0.23430651"
                        y3="8.40629"
                        yFract="0.98754493"
                        z3="6.28059"
                        zFract="0.73782428"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.12018"
                        xFract="0.484026"
                        y3="6.28059"
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                        z3="6.28059"
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                        id="a13"
                        x3="1.99449"
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                        z3="8.40629"
                        zFract="0.98754493"/>
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                        id="a14"
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                        y3="4.13534"
                        yFract="0.48580695"
                        z3="8.44144"
                        zFract="0.99167425"/>
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                        id="a15"
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                        y3="4.13534"
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                        z3="6.24544"
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                        id="a16"
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                        xFract="0.48991276"
                        y3="8.4564"
                        yFract="0.9934317"
                        z3="4.12043"
                        zFract="0.48405536"/>
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                        id="a17"
                        x3="1.94438"
                        xFract="0.22841975"
                        y3="8.4564"
                        yFract="0.9934317"
                        z3="2.05414"
                        zFract="0.24131401"/>
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                        yFract="0.73193751"
                        z3="2.05414"
                        zFract="0.24131401"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.94438"
                        xFract="0.22841975"
                        y3="6.23048"
                        yFract="0.73193751"
                        z3="4.12043"
                        zFract="0.48405536"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.28035"
                        xFract="0.73779608"
                        y3="6.23048"
                        yFract="0.73193751"
                        z3="8.4564"
                        zFract="0.9934317"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.34663"
                        xFract="0.98053626"
                        y3="6.23048"
                        yFract="0.73193751"
                        z3="6.23048"
                        zFract="0.73193751"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.17029"
                        xFract="0.48991276"
                        y3="4.12043"
                        yFract="0.48405536"
                        z3="8.4564"
                        zFract="0.9934317"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.94438"
                        xFract="0.22841975"
                        y3="4.12043"
                        yFract="0.48405536"
                        z3="6.23048"
                        zFract="0.73193751"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.17029"
                        xFract="0.48991276"
                        y3="2.05414"
                        yFract="0.24131401"
                        z3="6.23048"
                        zFract="0.73193751"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.94438"
                        xFract="0.22841975"
                        y3="2.05414"
                        yFract="0.24131401"
                        z3="8.4564"
                        zFract="0.9934317"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.28035"
                        xFract="0.73779608"
                        y3="8.4564"
                        yFract="0.9934317"
                        z3="6.23048"
                        zFract="0.73193751"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="8.34663"
                        xFract="0.98053626"
                        y3="8.4564"
                        yFract="0.9934317"
                        z3="8.4564"
                        zFract="0.9934317"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.15533"
                        xFract="0.48815531"
                        y3="4.13534"
                        yFract="0.48580695"
                        z3="4.13534"
                        zFract="0.48580695"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.95933"
                        xFract="0.23017602"
                        y3="4.13534"
                        yFract="0.48580695"
                        z3="2.03923"
                        zFract="0.23956243"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.15533"
                        xFract="0.48815531"
                        y3="2.03923"
                        yFract="0.23956243"
                        z3="2.03923"
                        zFract="0.23956243"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.26543"
                        xFract="0.73604333"
                        y3="2.03923"
                        yFract="0.23956243"
                        z3="8.44144"
                        zFract="0.99167425"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.36154"
                        xFract="0.98228784"
                        y3="2.03923"
                        yFract="0.23956243"
                        z3="6.24544"
                        zFract="0.73369496"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.31349"
                        xFract="0.85916617"
                        y3="7.34344"
                        yFract="0.86268461"
                        z3="3.08729"
                        zFract="0.36268527"/>
                  <atom elementType="O"
                        id="a34"
                        x3="5.30473"
                        xFract="0.62318326"
                        y3="5.09604"
                        yFract="0.59866701"
                        z3="1.07853"
                        zFract="0.12670237"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.30473"
                        xFract="0.62318326"
                        y3="1.07853"
                        yFract="0.12670237"
                        z3="5.09604"
                        zFract="0.59866701"/>
                  <atom elementType="O"
                        id="a36"
                        x3="0.80993"
                        xFract="0.09514807"
                        y3="5.09604"
                        yFract="0.59866701"
                        z3="5.09604"
                        zFract="0.59866701"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.18164"
                        xFract="0.60872303"
                        y3="0.95543"
                        yFract="0.11224096"
                        z3="0.95543"
                        zFract="0.11224096"/>
                  <atom elementType="O"
                        id="a38"
                        x3="7.31349"
                        xFract="0.85916617"
                        y3="7.34344"
                        yFract="0.86268461"
                        z3="7.34344"
                        zFract="0.86268461"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.05733"
                        xFract="0.35916567"
                        y3="7.34344"
                        yFract="0.86268461"
                        z3="7.34344"
                        zFract="0.86268461"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.93303"
                        xFract="0.10960948"
                        y3="5.21914"
                        yFract="0.61312842"
                        z3="0.95543"
                        zFract="0.11224096"/>
                  <atom elementType="O"
                        id="a41"
                        x3="3.05733"
                        xFract="0.35916567"
                        y3="7.34344"
                        yFract="0.86268461"
                        z3="3.08729"
                        zFract="0.36268527"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.93303"
                        xFract="0.10960948"
                        y3="0.95543"
                        yFract="0.11224096"
                        z3="5.21914"
                        zFract="0.61312842"/>
                  <atom elementType="O"
                        id="a43"
                        x3="3.05733"
                        xFract="0.35916567"
                        y3="3.08729"
                        yFract="0.36268527"
                        z3="7.34344"
                        zFract="0.86268461"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.80993"
                        xFract="0.09514807"
                        y3="1.07853"
                        yFract="0.12670237"
                        z3="1.07853"
                        zFract="0.12670237"/>
                  <atom elementType="O"
                        id="a45"
                        x3="3.05733"
                        xFract="0.35916567"
                        y3="3.08729"
                        yFract="0.36268527"
                        z3="3.08729"
                        zFract="0.36268527"/>
                  <atom elementType="O"
                        id="a46"
                        x3="7.31349"
                        xFract="0.85916617"
                        y3="3.08729"
                        yFract="0.36268527"
                        z3="7.34344"
                        zFract="0.86268461"/>
                  <atom elementType="O"
                        id="a47"
                        x3="5.18164"
                        xFract="0.60872303"
                        y3="5.21914"
                        yFract="0.61312842"
                        z3="5.21914"
                        zFract="0.61312842"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a1 a45" order="S"/>
                  <bond atomRefs2="a2 a47" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a10 a39" order="S"/>
                  <bond atomRefs2="a11 a39" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a12 a47" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a14 a46" order="S"/>
                  <bond atomRefs2="a15 a47" order="S"/>
                  <bond atomRefs2="a15 a46" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a19 a41" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a20 a38" order="S"/>
                  <bond atomRefs2="a21 a38" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a28 a47" order="S"/>
                  <bond atomRefs2="a28 a45" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a45" order="S"/>
                  <bond atomRefs2="a31 a46" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
               </bondArray>
               <formula concise="Cu32O15">
                  <atomArray count="32 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2273.4630000000034</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.15O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OOOO1O4O4O1O4O1O4O0O4O4O4/rB:;;;s4;s4s5;s4s5s6;;;;;;;;;;;;;;;;;;;;;;;;;;s2s3s8s9;s5s18;s7s24;s19s23;s30;s20s21s26s27;s10s11s12s13;s29;s16s17s18s19;s1;s22s23s24s25;;s1s28s29s30;s14s15s31s32;s2s12s15s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
