<?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">2022-08-03T19:36:47.000</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="1.06262143"
                        xFract="0.12370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.50523413"
                        xFract="0.87370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="2.11409551"
                        yFract="0.24610693"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.35769657"
                        xFract="0.62370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="6.40917065"
                        yFract="0.74610693"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="8.55670821"
                        yFract="0.99610693"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.210159"
                        xFract="0.37370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.06262143"
                        xFract="0.12370231"
                        y3="4.26163308"
                        yFract="0.49610693"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a49"
                        x3="4.28392778"
                        xFract="0.49870231"
                        y3="1.04032673"
                        yFract="0.12110693"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.13639022"
                        xFract="0.24870231"
                        y3="3.18786429"
                        yFract="0.37110693"
                        z3="3.07376869"
                        zFract="0.10668564"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a50" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a30 a49" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a32 a50" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
               </bondArray>
               <formula concise="Cu48O2">
                  <atomArray count="48 2" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3082.2067999999986</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.2O">
                  <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/rA:50CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s20s30;s1s31s32s33;/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">540.0000</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 2</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">-171.55456603</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-171.54990081</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-171.55223342</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.0839</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1459888E-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="1.06262"
                        xFract="0.12370214"
                        y3="4.26163"
                        yFract="0.49610657"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.06262"
                        xFract="0.12370214"
                        y3="6.40917"
                        yFract="0.74610685"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.05788"
                        xFract="0.12315035"
                        y3="0.02251"
                        yFract="0.00262044"
                        z3="5.47903"
                        zFract="0.19016845"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="7.50523"
                        xFract="0.87370183"
                        y3="6.40917"
                        yFract="0.74610685"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="7.50523"
                        xFract="0.87370183"
                        y3="8.55671"
                        yFract="0.99610714"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.54595"
                        xFract="0.87844214"
                        y3="6.36845"
                        yFract="0.74136654"
                        z3="5.51271"
                        zFract="0.19133743"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.43263"
                        xFract="0.63242549"
                        y3="6.27526"
                        yFract="0.73051807"
                        z3="6.90881"
                        zFract="0.23979385"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.63915"
                        xFract="0.88929178"
                        y3="-0.10838"
                        yFract="-0.01261678"
                        z3="6.90881"
                        zFract="0.23979385"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="5.43693"
                        xFract="0.63292606"
                        y3="-0.11268"
                        yFract="-0.01311735"
                        z3="8.27053"
                        zFract="0.28705699"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.3577"
                        xFract="0.62370271"
                        y3="4.26163"
                        yFract="0.49610657"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.45826"
                        xFract="0.86823394"
                        y3="4.10541"
                        yFract="0.47792063"
                        z3="9.45275"
                        zFract="0.32808997"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.21294"
                        xFract="0.83967565"
                        y3="1.92588"
                        yFract="0.22419631"
                        z3="8.31866"
                        zFract="0.28872751"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.05405"
                        xFract="0.58835408"
                        y3="2.05622"
                        yFract="0.2393695"
                        z3="9.47978"
                        zFract="0.32902814"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.30915"
                        xFract="0.61805089"
                        y3="4.15853"
                        yFract="0.48410445"
                        z3="8.2529"
                        zFract="0.28644508"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.40381"
                        xFract="0.86189528"
                        y3="4.10486"
                        yFract="0.4778566"
                        z3="6.83344"
                        zFract="0.23717787"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.25399"
                        xFract="0.61162958"
                        y3="2.1090"
                        yFract="0.24551375"
                        z3="6.89352"
                        zFract="0.23926315"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.4464"
                        xFract="0.86685329"
                        y3="2.04648"
                        yFract="0.23823565"
                        z3="5.44236"
                        zFract="0.18889569"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.50523"
                        xFract="0.87370183"
                        y3="4.26163"
                        yFract="0.49610657"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.50523"
                        xFract="0.87370183"
                        y3="2.1141"
                        yFract="0.24610745"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.3577"
                        xFract="0.62370271"
                        y3="2.1141"
                        yFract="0.24610745"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.30174"
                        xFract="0.61718827"
                        y3="4.26638"
                        yFract="0.49665953"
                        z3="5.47903"
                        zFract="0.19016845"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="5.61259"
                        xFract="0.65337507"
                        y3="6.2833"
                        yFract="0.73145403"
                        z3="9.46291"
                        zFract="0.32844261"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="7.69813"
                        xFract="0.89615778"
                        y3="6.21628"
                        yFract="0.72365207"
                        z3="8.15884"
                        zFract="0.28318041"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.63111"
                        xFract="0.88835582"
                        y3="8.30182"
                        yFract="0.96643478"
                        z3="9.46291"
                        zFract="0.32844261"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.21016"
                        xFract="0.37370243"
                        y3="6.40917"
                        yFract="0.74610685"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.3577"
                        xFract="0.62370271"
                        y3="8.55671"
                        yFract="0.99610714"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.21016"
                        xFract="0.37370243"
                        y3="8.55671"
                        yFract="0.99610714"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.21939"
                        xFract="0.14195212"
                        y3="6.5106"
                        yFract="0.75791456"
                        z3="6.83344"
                        zFract="0.23717787"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="0.7380"
                        xFract="0.08591235"
                        y3="2.11377"
                        yFract="0.24606904"
                        z3="6.95992"
                        zFract="0.24156779"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.82596"
                        xFract="0.32897678"
                        y3="2.4983"
                        yFract="0.2908331"
                        z3="5.83889"
                        zFract="0.20265862"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.21016"
                        xFract="0.37370243"
                        y3="4.26163"
                        yFract="0.49610657"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="3.21016"
                        xFract="0.37370243"
                        y3="2.1141"
                        yFract="0.24610745"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="1.06262"
                        xFract="0.12370214"
                        y3="2.1141"
                        yFract="0.24610745"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.00123"
                        xFract="0.11655559"
                        y3="4.32302"
                        yFract="0.50325313"
                        z3="5.62219"
                        zFract="0.19513731"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="3.27777"
                        xFract="0.38157307"
                        y3="6.46801"
                        yFract="0.75295656"
                        z3="5.44236"
                        zFract="0.18889569"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="0.74852"
                        xFract="0.08713701"
                        y3="2.13882"
                        yFract="0.24898517"
                        z3="9.4970"
                        zFract="0.32962582"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="3.21048"
                        xFract="0.37373968"
                        y3="4.58625"
                        yFract="0.53389636"
                        z3="6.95992"
                        zFract="0.24156779"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.91719"
                        xFract="0.33959709"
                        y3="2.40706"
                        yFract="0.28021163"
                        z3="8.31304"
                        zFract="0.28853244"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="5.57973"
                        xFract="0.64954975"
                        y3="8.33467"
                        yFract="0.97025893"
                        z3="5.64398"
                        zFract="0.1958936"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.3577"
                        xFract="0.62370271"
                        y3="6.40917"
                        yFract="0.74610685"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="1.06262"
                        xFract="0.12370214"
                        y3="8.55671"
                        yFract="0.99610714"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.26803"
                        xFract="0.38043921"
                        y3="0.2702"
                        yFract="0.03145463"
                        z3="9.47978"
                        zFract="0.32902814"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="3.39837"
                        xFract="0.3956124"
                        y3="6.70146"
                        yFract="0.78013303"
                        z3="8.31866"
                        zFract="0.28872751"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="1.21885"
                        xFract="0.14188925"
                        y3="6.45614"
                        yFract="0.75157475"
                        z3="9.45275"
                        zFract="0.32808997"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.16573"
                        xFract="0.13570543"
                        y3="0.0151"
                        yFract="0.00175783"
                        z3="8.2529"
                        zFract="0.28644508"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="3.21525"
                        xFract="0.37429497"
                        y3="0.07026"
                        yFract="0.00817914"
                        z3="6.89352"
                        zFract="0.23926315"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.18544"
                        xFract="0.37082471"
                        y3="4.57574"
                        yFract="0.53267287"
                        z3="9.4970"
                        zFract="0.32962582"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.02554"
                        xFract="0.11938557"
                        y3="4.29872"
                        yFract="0.50042431"
                        z3="8.24108"
                        zFract="0.28603483"/>
                  <atom elementType="O"
                        id="a49"
                        x3="4.16337"
                        xFract="0.48466789"
                        y3="1.16089"
                        yFract="0.13514199"
                        z3="5.30843"
                        zFract="0.18424719"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.13639"
                        xFract="0.24870228"
                        y3="3.18786"
                        yFract="0.37110643"
                        z3="3.07377"
                        zFract="0.10668569"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a50" order="S"/>
                  <bond atomRefs2="a2 a35" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a6 a23" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a7 a39" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a21" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a49" 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="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a49" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a32 a50" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a34 a48" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a39 a40" 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="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
               </bondArray>
               <formula concise="Cu48O2">
                  <atomArray count="48 2" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3082.2067999999986</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.2O">
                  <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/rA:50CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4/rB:;;;;s5;s6;;s8;;;s8s11;s9s12;s7s11s13;s6s11s12s14;s9s12s13s14;s8s15s16;s6s17;;s17;s7s15s16s18s20;s7s14;s6s7s11s15s22;s23;;;;;s3;s16s29;s21s30;;s3s30;s2s28s29s30s31s33;s2s7s27s28s31;s29;s14s21s30s34s35;s13s29s30s36s37;s5s7;s6s21s35s39;;s9s13s38;s7s22s28s37;s28s43;s29s36s42;s3s9s30s42s45;s14s37s38s43;s28s29s34s36s37s38s44s47;s16s20s30s46;s1s31s32s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
