<?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">2022-08-03T19:31:29.000</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="2.10340627"
                        xFract="0.24486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.54601897"
                        xFract="0.99486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="2.12547196"
                        yFract="0.24743129"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.39848141"
                        xFract="0.74486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="6.4205471"
                        yFract="0.74743129"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="8.56808467"
                        yFract="0.99743129"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.25094384"
                        xFract="0.49486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.10340627"
                        xFract="0.24486257"
                        y3="4.27300953"
                        yFract="0.49743129"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.32471262"
                        xFract="0.61986257"
                        y3="5.34677831"
                        yFract="0.62243129"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a50"
                        x3="1.02963749"
                        xFract="0.11986257"
                        y3="1.05170318"
                        yFract="0.12243129"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a51"
                        x3="3.17717506"
                        xFract="0.36986257"
                        y3="3.19924075"
                        yFract="0.37243129"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.17717506"
                        xFract="0.36986257"
                        y3="7.49431588"
                        yFract="0.87243129"
                        z3="12.73768788"
                        zFract="0.44210496"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a42 a52" order="S"/>
                  <bond atomRefs2="a43 a52" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a45 a52" order="S"/>
               </bondArray>
               <formula concise="Cu48O4">
                  <atomArray count="48 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3114.205599999999</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.4O">
                  <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/rA:52CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO0O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s10s25;;s29s30s34s37;s42s43s44s45;/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">552.0000</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 4</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
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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">-184.80438706</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-184.79333354</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-184.79886030</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.5143</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1965026E-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="2.10341"
                        xFract="0.244863"
                        y3="4.27301"
                        yFract="0.49743134"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.10341"
                        xFract="0.244863"
                        y3="6.42055"
                        yFract="0.74743163"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.07646"
                        xFract="0.24172569"
                        y3="-0.10214"
                        yFract="-0.01189036"
                        z3="6.41802"
                        zFract="0.2227593"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.54602"
                        xFract="0.99486269"
                        y3="6.42055"
                        yFract="0.74743163"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.54602"
                        xFract="0.99486269"
                        y3="8.56808"
                        yFract="0.99743075"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="-0.02265"
                        xFract="-0.00263674"
                        y3="6.44247"
                        yFract="0.74998339"
                        z3="6.5450"
                        zFract="0.22716658"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.37832"
                        xFract="0.74251553"
                        y3="6.33474"
                        yFract="0.73744228"
                        z3="7.88239"
                        zFract="0.27358527"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="-0.02397"
                        xFract="-0.00279041"
                        y3="0.06374"
                        yFract="0.00742013"
                        z3="7.88239"
                        zFract="0.27358527"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.24192"
                        xFract="0.72663688"
                        y3="-0.10172"
                        yFract="-0.01184147"
                        z3="9.11685"
                        zFract="0.31643142"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.39848"
                        xFract="0.74486241"
                        y3="4.27301"
                        yFract="0.49743134"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="0.00355"
                        xFract="0.00041326"
                        y3="4.45888"
                        yFract="0.51906892"
                        z3="10.49374"
                        zFract="0.36422109"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="-0.05442"
                        xFract="-0.00633516"
                        y3="2.22516"
                        yFract="0.25903621"
                        z3="9.39098"
                        zFract="0.32594603"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.3508"
                        xFract="0.73931186"
                        y3="1.9396"
                        yFract="0.22579349"
                        z3="10.49374"
                        zFract="0.36422109"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.40877"
                        xFract="0.74606029"
                        y3="4.17333"
                        yFract="0.48582736"
                        z3="9.39098"
                        zFract="0.32594603"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.44614"
                        xFract="0.98323542"
                        y3="4.2748"
                        yFract="0.49763972"
                        z3="7.85333"
                        zFract="0.27257664"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.49836"
                        xFract="0.75648968"
                        y3="2.12368"
                        yFract="0.24722268"
                        z3="7.85333"
                        zFract="0.27257664"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="-0.03008"
                        xFract="-0.00350168"
                        y3="2.15094"
                        yFract="0.25039609"
                        z3="6.47368"
                        zFract="0.22469117"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.54602"
                        xFract="0.99486269"
                        y3="4.27301"
                        yFract="0.49743134"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.54602"
                        xFract="0.99486269"
                        y3="2.12547"
                        yFract="0.24743106"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.39848"
                        xFract="0.74486241"
                        y3="2.12547"
                        yFract="0.24743106"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.38443"
                        xFract="0.74322681"
                        y3="4.24754"
                        yFract="0.49446632"
                        z3="6.47368"
                        zFract="0.22469117"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.71755"
                        xFract="0.78200611"
                        y3="6.40114"
                        yFract="0.74517206"
                        z3="10.47211"
                        zFract="0.36347034"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.11243"
                        xFract="0.01308825"
                        y3="6.50021"
                        yFract="0.75670504"
                        z3="9.11685"
                        zFract="0.31643142"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.22695"
                        xFract="0.95771899"
                        y3="-0.00266"
                        yFract="-0.00030966"
                        z3="10.47211"
                        zFract="0.36347034"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.25094"
                        xFract="0.49486212"
                        y3="6.42055"
                        yFract="0.74743163"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.39848"
                        xFract="0.74486241"
                        y3="8.56808"
                        yFract="0.99743075"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.25094"
                        xFract="0.49486212"
                        y3="8.56808"
                        yFract="0.99743075"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.25231"
                        xFract="0.26219681"
                        y3="6.42706"
                        yFract="0.74818947"
                        z3="7.87017"
                        zFract="0.27316113"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.9156"
                        xFract="0.22299959"
                        y3="1.68183"
                        yFract="0.19578586"
                        z3="8.01257"
                        zFract="0.27810361"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.3230"
                        xFract="0.5032508"
                        y3="2.07718"
                        yFract="0.24180951"
                        z3="6.45404"
                        zFract="0.2240095"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.25094"
                        xFract="0.49486212"
                        y3="4.27301"
                        yFract="0.49743134"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.25094"
                        xFract="0.49486212"
                        y3="2.12547"
                        yFract="0.24743106"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.10341"
                        xFract="0.244863"
                        y3="2.12547"
                        yFract="0.24743106"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.03135"
                        xFract="0.23647433"
                        y3="4.3213"
                        yFract="0.5030529"
                        z3="6.45404"
                        zFract="0.2240095"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.27789"
                        xFract="0.49799944"
                        y3="6.50062"
                        yFract="0.75675277"
                        z3="6.41802"
                        zFract="0.2227593"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.23092"
                        xFract="0.25970675"
                        y3="2.13633"
                        yFract="0.2486953"
                        z3="10.55098"
                        zFract="0.3662078"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.43875"
                        xFract="0.51672554"
                        y3="4.71665"
                        yFract="0.54907654"
                        z3="8.01257"
                        zFract="0.27810361"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.34896"
                        xFract="0.50627287"
                        y3="2.27335"
                        yFract="0.26464613"
                        z3="9.15644"
                        zFract="0.31780552"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.3770"
                        xFract="0.74236187"
                        y3="-0.04399"
                        yFract="-0.00512098"
                        z3="6.5450"
                        zFract="0.22716658"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.39848"
                        xFract="0.74486241"
                        y3="6.42055"
                        yFract="0.74743163"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.10341"
                        xFract="0.244863"
                        y3="8.56808"
                        yFract="0.99743075"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.29036"
                        xFract="0.4994511"
                        y3="0.42225"
                        yFract="0.04915514"
                        z3="10.62285"
                        zFract="0.36870229"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.38329"
                        xFract="0.5102693"
                        y3="6.6267"
                        yFract="0.77143004"
                        z3="9.55434"
                        zFract="0.331616"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.06399"
                        xFract="0.24027403"
                        y3="5.97623"
                        yFract="0.69570727"
                        z3="10.62285"
                        zFract="0.36870229"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.97106"
                        xFract="0.22945582"
                        y3="-0.22821"
                        yFract="-0.02656647"
                        z3="9.55434"
                        zFract="0.331616"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.10204"
                        xFract="0.47752832"
                        y3="8.56157"
                        yFract="0.9966729"
                        z3="7.87017"
                        zFract="0.27316113"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.12343"
                        xFract="0.48001838"
                        y3="4.26216"
                        yFract="0.49616827"
                        z3="10.55098"
                        zFract="0.3662078"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.00539"
                        xFract="0.23345226"
                        y3="4.12513"
                        yFract="0.48021628"
                        z3="9.15644"
                        zFract="0.31780552"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.32471"
                        xFract="0.61986226"
                        y3="5.34678"
                        yFract="0.62243149"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a50"
                        x3="1.02964"
                        xFract="0.11986286"
                        y3="1.0517"
                        yFract="0.12243092"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a51"
                        x3="3.17718"
                        xFract="0.36986315"
                        y3="3.19924"
                        yFract="0.3724312"
                        z3="7.74801"
                        zFract="0.26892115"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.17718"
                        xFract="0.36986315"
                        y3="7.49432"
                        yFract="0.87243177"
                        z3="10.95638"
                        zFract="0.38027859"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a28" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a35" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a6 a28" order="S"/>
                  <bond atomRefs2="a6 a23" order="S"/>
                  <bond atomRefs2="a7 a40" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a39" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a11 a44" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a48" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a21" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a17 a29" order="S"/>
                  <bond atomRefs2="a17 a33" 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 a37" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a27 a46" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a52" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a51" order="S"/>
               </bondArray>
               <formula concise="Cu48O4">
                  <atomArray count="48 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3114.205599999999</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.4O">
                  <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/rA:52CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO0O6O/rB:;;;;s2;;s3;;;;s8s11;s9;s7s13;s14;s9s13s14;s8;s15;;s16;s7s15s16s18s20;s7s14;s6s11;s9;;;;s2s6s23;s3s8s12s17;s16s20;s21s30;;s3s17s30;s2s28s31s33;s2s7s27s28s31;s12s29;s7s14s21s35;s13s16s36;s9s16s20;s7s21s35;;s9s13s36s38;s7s22s37;s11s23s43;s8s29s36s42;s27s35s43;s14s37s38s43s44;s11s28s36s44s47;s10s25;;s29s30s34s37s38s48;s43s44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
