<?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">2022-08-03T19:13:08.000</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">28.811456621</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="2.0710933"
                        xFract="0.24110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.51370601"
                        xFract="0.99110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="2.136617"
                        yFract="0.24872871"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.36616844"
                        xFract="0.74110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="6.43169213"
                        yFract="0.74872871"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="8.5792297"
                        yFract="0.99872871"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.21863087"
                        xFract="0.49110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.0710933"
                        xFract="0.24110094"
                        y3="4.28415456"
                        yFract="0.49872871"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a49"
                        x3="0.99732452"
                        xFract="0.11610094"
                        y3="5.35792335"
                        yFract="0.62372871"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="O"
                        id="a50"
                        x3="0.99732452"
                        xFract="0.11610094"
                        y3="1.06284821"
                        yFract="0.12372871"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="O"
                        id="a51"
                        x3="3.14486209"
                        xFract="0.36610094"
                        y3="3.21038578"
                        yFract="0.37372871"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="O"
                        id="a52"
                        x3="0.99732452"
                        xFract="0.11610094"
                        y3="5.35792335"
                        yFract="0.62372871"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="O"
                        id="a53"
                        x3="3.14486209"
                        xFract="0.36610094"
                        y3="7.50546091"
                        yFract="0.87372871"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="O"
                        id="a54"
                        x3="7.43993722"
                        xFract="0.86610094"
                        y3="7.50546091"
                        yFract="0.87372871"
                        z3="3.07376869"
                        zFract="0.10668564"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a51" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a4 a54" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a26 a54" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a32 a51" order="S"/>
                  <bond atomRefs2="a33 a51" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
               </bondArray>
               <formula concise="Cu48O6">
                  <atomArray count="48 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3146.204399999999</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.6O">
                  <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/rA:54CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO1O4OO4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s28s48;s33;s1s31s32s33;s2s34;s2s25s27s41;s4s5s26s40;/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">564.0000</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 6</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-196.30780317</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-196.29896068</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-196.30338192</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.0001</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1318716E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <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">28.811456621</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="2.07109"
                        xFract="0.24110056"
                        y3="4.28415"
                        yFract="0.49872818"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.07109"
                        xFract="0.24110056"
                        y3="6.43169"
                        yFract="0.74872846"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.29467"
                        xFract="0.26712804"
                        y3="-0.24531"
                        yFract="-0.02855713"
                        z3="5.95035"
                        zFract="0.20652722"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.51371"
                        xFract="0.9911014"
                        y3="6.43169"
                        yFract="0.74872846"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.51371"
                        xFract="0.9911014"
                        y3="8.57923"
                        yFract="0.99872875"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.33746"
                        xFract="0.97058372"
                        y3="6.62637"
                        yFract="0.77139163"
                        z3="5.86265"
                        zFract="0.20348329"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.42414"
                        xFract="0.74784955"
                        y3="6.50487"
                        yFract="0.75724752"
                        z3="7.2738"
                        zFract="0.25246207"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.15511"
                        xFract="0.94935592"
                        y3="0.06411"
                        yFract="0.0074632"
                        z3="7.2713"
                        zFract="0.2523753"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.17368"
                        xFract="0.7186929"
                        y3="0.04025"
                        yFract="0.0046856"
                        z3="8.79128"
                        zFract="0.3051314"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.36617"
                        xFract="0.74110112"
                        y3="4.28415"
                        yFract="0.49872818"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.40301"
                        xFract="0.97821455"
                        y3="4.26247"
                        yFract="0.49620436"
                        z3="9.89006"
                        zFract="0.34326831"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="0.29795"
                        xFract="0.03468507"
                        y3="2.15289"
                        yFract="0.25062309"
                        z3="8.43608"
                        zFract="0.29280297"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.89425"
                        xFract="0.80257618"
                        y3="2.17848"
                        yFract="0.25360208"
                        z3="9.83724"
                        zFract="0.34143501"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.19698"
                        xFract="0.72140531"
                        y3="4.31404"
                        yFract="0.50220775"
                        z3="8.81933"
                        zFract="0.30610497"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.05216"
                        xFract="0.93737126"
                        y3="4.30411"
                        yFract="0.50105177"
                        z3="7.24058"
                        zFract="0.25130906"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.39192"
                        xFract="0.74409874"
                        y3="2.2163"
                        yFract="0.2580048"
                        z3="7.27588"
                        zFract="0.25253426"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.28512"
                        xFract="0.96449069"
                        y3="2.32808"
                        yFract="0.27101738"
                        z3="5.78535"
                        zFract="0.20080033"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.51371"
                        xFract="0.9911014"
                        y3="4.28415"
                        yFract="0.49872818"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.51371"
                        xFract="0.9911014"
                        y3="2.13662"
                        yFract="0.24872906"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.36617"
                        xFract="0.74110112"
                        y3="2.13662"
                        yFract="0.24872906"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.2780"
                        xFract="0.73083704"
                        y3="4.30021"
                        yFract="0.50059776"
                        z3="5.56019"
                        zFract="0.19298538"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.85631"
                        xFract="0.79815949"
                        y3="6.45822"
                        yFract="0.75181688"
                        z3="9.85345"
                        zFract="0.34199763"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.26266"
                        xFract="0.03057688"
                        y3="6.49998"
                        yFract="0.75667826"
                        z3="8.50423"
                        zFract="0.29516835"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.42659"
                        xFract="0.98095956"
                        y3="0.03437"
                        yFract="0.00400109"
                        z3="9.79755"
                        zFract="0.34005743"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.21863"
                        xFract="0.49110084"
                        y3="6.43169"
                        yFract="0.74872846"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.36617"
                        xFract="0.74110112"
                        y3="8.57923"
                        yFract="0.99872875"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.21863"
                        xFract="0.49110084"
                        y3="8.57923"
                        yFract="0.99872875"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.64414"
                        xFract="0.30781068"
                        y3="6.34568"
                        yFract="0.73871583"
                        z3="7.31424"
                        zFract="0.25386568"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.62488"
                        xFract="0.30556858"
                        y3="1.96397"
                        yFract="0.22863046"
                        z3="7.4112"
                        zFract="0.25723101"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.40913"
                        xFract="0.5132774"
                        y3="1.97728"
                        yFract="0.23017991"
                        z3="5.71699"
                        zFract="0.19842766"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.21863"
                        xFract="0.49110084"
                        y3="4.28415"
                        yFract="0.49872818"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.21863"
                        xFract="0.49110084"
                        y3="2.13662"
                        yFract="0.24872906"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.07109"
                        xFract="0.24110056"
                        y3="2.13662"
                        yFract="0.24872906"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.25387"
                        xFract="0.26237841"
                        y3="3.99058"
                        yFract="0.46455299"
                        z3="6.01699"
                        zFract="0.20884019"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.4821"
                        xFract="0.52177201"
                        y3="6.27444"
                        yFract="0.73042261"
                        z3="5.70748"
                        zFract="0.19809759"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.22691"
                        xFract="0.25923994"
                        y3="1.72399"
                        yFract="0.20069381"
                        z3="9.97007"
                        zFract="0.34604533"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.37474"
                        xFract="0.50927398"
                        y3="4.10665"
                        yFract="0.47806498"
                        z3="7.20419"
                        zFract="0.25004602"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.53478"
                        xFract="0.52790462"
                        y3="2.15669"
                        yFract="0.25106546"
                        z3="8.95648"
                        zFract="0.31086523"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.21693"
                        xFract="0.72372774"
                        y3="0.06409"
                        yFract="0.00746087"
                        z3="5.71367"
                        zFract="0.19831243"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.36617"
                        xFract="0.74110112"
                        y3="6.43169"
                        yFract="0.74872846"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.07109"
                        xFract="0.24110056"
                        y3="8.57923"
                        yFract="0.99872875"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.91808"
                        xFract="0.45611309"
                        y3="-0.13566"
                        yFract="-0.01579251"
                        z3="9.80846"
                        zFract="0.3404361"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.57414"
                        xFract="0.53248661"
                        y3="6.28551"
                        yFract="0.7317113"
                        z3="8.84847"
                        zFract="0.30711637"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.38052"
                        xFract="0.27712204"
                        y3="6.41457"
                        yFract="0.74673548"
                        z3="9.96483"
                        zFract="0.34586346"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.87047"
                        xFract="0.2177459"
                        y3="-0.15807"
                        yFract="-0.01840131"
                        z3="8.45125"
                        zFract="0.29332949"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.28682"
                        xFract="0.499039"
                        y3="-0.21565"
                        yFract="-0.02510433"
                        z3="7.26391"
                        zFract="0.2521188"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.24119"
                        xFract="0.4937271"
                        y3="4.30024"
                        yFract="0.50060125"
                        z3="10.24949"
                        zFract="0.35574355"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.24674"
                        xFract="0.26154839"
                        y3="3.93986"
                        yFract="0.45864855"
                        z3="9.03538"
                        zFract="0.31360372"/>
                  <atom elementType="O"
                        id="a49"
                        x3="1.30226"
                        xFract="0.15159921"
                        y3="4.93221"
                        yFract="0.5741704"
                        z3="7.67028"
                        zFract="0.26622326"/>
                  <atom elementType="O"
                        id="a50"
                        x3="1.03941"
                        xFract="0.12100021"
                        y3="1.02413"
                        yFract="0.11922143"
                        z3="5.18757"
                        zFract="0.18005233"/>
                  <atom elementType="O"
                        id="a51"
                        x3="3.14486"
                        xFract="0.3661007"
                        y3="3.21039"
                        yFract="0.3737292"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="O"
                        id="a52"
                        x3="1.05312"
                        xFract="0.12259623"
                        y3="5.35764"
                        yFract="0.62369572"
                        z3="5.15227"
                        zFract="0.17882713"/>
                  <atom elementType="O"
                        id="a53"
                        x3="3.14486"
                        xFract="0.3661007"
                        y3="7.50546"
                        yFract="0.8737286"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="O"
                        id="a54"
                        x3="7.43994"
                        xFract="0.86610126"
                        y3="7.50546"
                        yFract="0.8737286"
                        z3="3.07377"
                        zFract="0.10668569"/>
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               <bondArray>
                  <bond atomRefs2="a1 a51" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a3 a45" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a50" order="S"/>
                  <bond atomRefs2="a4 a54" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a39" order="S"/>
                  <bond atomRefs2="a9 a38" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a13 a24" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a20 a39" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a21 a35" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a26 a54" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a39" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a32 a51" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a51" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
               </bondArray>
               <formula concise="Cu48O6">
                  <atomArray count="48 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3146.204399999999</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.6O">
                  <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/rA:54CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OO4OO4O4/rB:;;;;s5;s6;;s8;;;;s9s11;s11s13;s11s14;s9s13s14s15;s15s16;s17;;s17;s15s18s20;s7s11s14;;s8s9s13;;;;s23;s3s12;s16s20s29;s21;;;s29s33;s7s21s28s31;s12s29;s14s21s30s34s35;s9s13s16s29s36s37;s8s16s20s30;s6s21s35;;s9s36s38;s7s14s22s28;s23s28s43;s3s29s36s42;s3s9s30s39s42;s14s38s43;s29s36s44s47;s23s28s34s48;s3s33;s1s31s32s33;s2s34;s2s25s27s41;s4s5s26s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
