<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T19:13:08.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.52495807"
                        xFract="0.99241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="2.08234537"
                        yFract="0.24241082"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.37742051"
                        xFract="0.74241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="6.37742051"
                        yFract="0.74241082"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="8.52495807"
                        yFract="0.99241082"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.22988294"
                        xFract="0.49241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.08234537"
                        xFract="0.24241082"
                        y3="4.22988294"
                        yFract="0.49241082"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.30365172"
                        xFract="0.61741082"
                        y3="1.00857659"
                        yFract="0.11741082"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a50"
                        x3="3.15611415"
                        xFract="0.36741082"
                        y3="3.15611415"
                        yFract="0.36741082"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="O"
                        id="a51"
                        x3="1.00857659"
                        xFract="0.11741082"
                        y3="1.00857659"
                        yFract="0.11741082"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.15611415"
                        xFract="0.36741082"
                        y3="7.45118929"
                        yFract="0.86741082"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a53"
                        x3="1.00857659"
                        xFract="0.11741082"
                        y3="5.30365172"
                        yFract="0.61741082"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a54"
                        x3="5.30365172"
                        xFract="0.61741082"
                        y3="1.00857659"
                        yFract="0.11741082"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a55"
                        x3="5.30365172"
                        xFract="0.61741082"
                        y3="5.30365172"
                        yFract="0.61741082"
                        z3="10.59015018"
                        zFract="0.36756733"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a50" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a14 a55" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a32 a50" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a37 a55" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a42 a52" order="S"/>
                  <bond atomRefs2="a43 a55" order="S"/>
                  <bond atomRefs2="a43 a52" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a45 a52" order="S"/>
               </bondArray>
               <formula concise="Cu48O7">
                  <atomArray count="48 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3162.2037999999993</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.7O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4O1O4OO1O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s16s38;s1s31s32s33;s29;s42s43s44s45;s2s34;s32;s7s14s37s43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">570.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">48 7</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-202.18780750</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-202.17814427</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-202.18297589</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.0970</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1437160E-01</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="2.08235"
                        xFract="0.24241136"
                        y3="4.22988"
                        yFract="0.49241048"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.08235"
                        xFract="0.24241136"
                        y3="6.37742"
                        yFract="0.74241076"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.99469"
                        xFract="0.23220665"
                        y3="-0.01966"
                        yFract="-0.00228867"
                        z3="6.46565"
                        zFract="0.22441246"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.52496"
                        xFract="0.99241104"
                        y3="6.37742"
                        yFract="0.74241076"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.52496"
                        xFract="0.99241104"
                        y3="8.52496"
                        yFract="0.99241104"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.27246"
                        xFract="0.96301691"
                        y3="6.65409"
                        yFract="0.77461858"
                        z3="6.75706"
                        zFract="0.23452684"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.27141"
                        xFract="0.73006988"
                        y3="6.41155"
                        yFract="0.74638392"
                        z3="8.06884"
                        zFract="0.28005665"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.54155"
                        xFract="0.99434233"
                        y3="0.05396"
                        yFract="0.00628161"
                        z3="8.13171"
                        zFract="0.28223877"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.44027"
                        xFract="0.74972728"
                        y3="-0.01013"
                        yFract="-0.00117926"
                        z3="9.90345"
                        zFract="0.34373305"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.37742"
                        xFract="0.74241076"
                        y3="4.22988"
                        yFract="0.49241048"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="0.16455"
                        xFract="0.01915566"
                        y3="4.40786"
                        yFract="0.51312956"
                        z3="10.77265"
                        zFract="0.37390161"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="-0.42536"
                        xFract="-0.04951718"
                        y3="2.19213"
                        yFract="0.25519111"
                        z3="9.79618"
                        zFract="0.34000988"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.25124"
                        xFract="0.72772184"
                        y3="2.11577"
                        yFract="0.24630186"
                        z3="11.33527"
                        zFract="0.39342926"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.57029"
                        xFract="0.76486322"
                        y3="3.9005"
                        yFract="0.45406656"
                        z3="9.72689"
                        zFract="0.33760494"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.41464"
                        xFract="0.97956843"
                        y3="4.04973"
                        yFract="0.47143878"
                        z3="8.00765"
                        zFract="0.27793284"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.54935"
                        xFract="0.76242554"
                        y3="2.2681"
                        yFract="0.26403496"
                        z3="7.80498"
                        zFract="0.27089849"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="0.04462"
                        xFract="0.00519432"
                        y3="2.01564"
                        yFract="0.23464549"
                        z3="6.51633"
                        zFract="0.22617149"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.52496"
                        xFract="0.99241104"
                        y3="4.22988"
                        yFract="0.49241048"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.52496"
                        xFract="0.99241104"
                        y3="2.08235"
                        yFract="0.24241136"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.37742"
                        xFract="0.74241076"
                        y3="2.08235"
                        yFract="0.24241136"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.34559"
                        xFract="0.73870535"
                        y3="4.32333"
                        yFract="0.50328922"
                        z3="6.50283"
                        zFract="0.22570292"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.92938"
                        xFract="0.80666575"
                        y3="6.30451"
                        yFract="0.73392313"
                        z3="10.74096"
                        zFract="0.3728017"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.16345"
                        xFract="0.01902761"
                        y3="6.29337"
                        yFract="0.7326263"
                        z3="9.17842"
                        zFract="0.31856841"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.55768"
                        xFract="0.99622006"
                        y3="8.04796"
                        yFract="0.93688233"
                        z3="10.84337"
                        zFract="0.37635619"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.22988"
                        xFract="0.49241048"
                        y3="6.37742"
                        yFract="0.74241076"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.37742"
                        xFract="0.74241076"
                        y3="8.52496"
                        yFract="0.99241104"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.22988"
                        xFract="0.49241048"
                        y3="8.52496"
                        yFract="0.99241104"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.29311"
                        xFract="0.26694644"
                        y3="6.62823"
                        yFract="0.77160815"
                        z3="7.99821"
                        zFract="0.27760519"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.15596"
                        xFract="0.25098048"
                        y3="1.8804"
                        yFract="0.21890187"
                        z3="8.08473"
                        zFract="0.28060817"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.21497"
                        xFract="0.49067477"
                        y3="2.1179"
                        yFract="0.24654982"
                        z3="6.67313"
                        zFract="0.23161377"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.22988"
                        xFract="0.49241048"
                        y3="4.22988"
                        yFract="0.49241048"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.22988"
                        xFract="0.49241048"
                        y3="2.08235"
                        yFract="0.24241136"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.08235"
                        xFract="0.24241136"
                        y3="2.08235"
                        yFract="0.24241136"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.3775"
                        xFract="0.27677048"
                        y3="3.95307"
                        yFract="0.46018636"
                        z3="6.87303"
                        zFract="0.23855198"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.28595"
                        xFract="0.49893772"
                        y3="6.27248"
                        yFract="0.73019444"
                        z3="6.52475"
                        zFract="0.22646373"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.10348"
                        xFract="0.24487115"
                        y3="2.59547"
                        yFract="0.30214489"
                        z3="10.67262"
                        zFract="0.37042973"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.44369"
                        xFract="0.51730061"
                        y3="4.18073"
                        yFract="0.48668881"
                        z3="8.11849"
                        zFract="0.28177992"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.32951"
                        xFract="0.50400865"
                        y3="2.00076"
                        yFract="0.23291327"
                        z3="9.69258"
                        zFract="0.33641409"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.42958"
                        xFract="0.74848283"
                        y3="8.49328"
                        yFract="0.9887231"
                        z3="6.54851"
                        zFract="0.2272884"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.37742"
                        xFract="0.74241076"
                        y3="6.37742"
                        yFract="0.74241076"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.08235"
                        xFract="0.24241136"
                        y3="8.52496"
                        yFract="0.99241104"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.63071"
                        xFract="0.53907206"
                        y3="0.3813"
                        yFract="0.04438805"
                        z3="11.5941"
                        zFract="0.40241284"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.34395"
                        xFract="0.50568964"
                        y3="6.64401"
                        yFract="0.77344514"
                        z3="10.58487"
                        zFract="0.36738406"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="1.89078"
                        xFract="0.22011024"
                        y3="6.15397"
                        yFract="0.71639841"
                        z3="11.02951"
                        zFract="0.38281681"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.40602"
                        xFract="0.28009056"
                        y3="-0.02663"
                        yFract="-0.00310006"
                        z3="10.48023"
                        zFract="0.36375217"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="3.97384"
                        xFract="0.46260425"
                        y3="8.3240"
                        yFract="0.96901681"
                        z3="7.84958"
                        zFract="0.27244648"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.94913"
                        xFract="0.4597277"
                        y3="4.12767"
                        yFract="0.48051197"
                        z3="10.74799"
                        zFract="0.3730457"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.07152"
                        xFract="0.24115061"
                        y3="4.49539"
                        yFract="0.52331913"
                        z3="9.22061"
                        zFract="0.32003276"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.40631"
                        xFract="0.62936152"
                        y3="0.81928"
                        yFract="0.09537435"
                        z3="8.50085"
                        zFract="0.29505103"/>
                  <atom elementType="O"
                        id="a50"
                        x3="3.15611"
                        xFract="0.36741034"
                        y3="3.15611"
                        yFract="0.36741034"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="O"
                        id="a51"
                        x3="1.10356"
                        xFract="0.12846807"
                        y3="1.05316"
                        yFract="0.12260088"
                        z3="9.70098"
                        zFract="0.33670564"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.27591"
                        xFract="0.38135654"
                        y3="7.55499"
                        yFract="0.87949451"
                        z3="11.79341"
                        zFract="0.40933057"/>
                  <atom elementType="O"
                        id="a53"
                        x3="1.02337"
                        xFract="0.11913296"
                        y3="5.26734"
                        yFract="0.61318369"
                        z3="6.3508"
                        zFract="0.2204262"/>
                  <atom elementType="O"
                        id="a54"
                        x3="5.30365"
                        xFract="0.61741062"
                        y3="1.00858"
                        yFract="0.11741122"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a55"
                        x3="5.38081"
                        xFract="0.626393"
                        y3="5.41149"
                        yFract="0.62996453"
                        z3="9.66391"
                        zFract="0.335419"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a50" order="S"/>
                  <bond atomRefs2="a2 a35" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a39" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a7 a39" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a11 a36" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a44" order="S"/>
                  <bond atomRefs2="a11 a48" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a55" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a21" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a17 a29" order="S"/>
                  <bond atomRefs2="a17 a33" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a55" order="S"/>
                  <bond atomRefs2="a23 a48" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a27 a46" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a28 a46" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a32 a54" 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="a34 a53" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a55" order="S"/>
                  <bond atomRefs2="a43 a52" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a45 a51" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
               </bondArray>
               <formula concise="Cu48O7">
                  <atomArray count="48 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3162.2037999999993</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.7O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55/rA:55CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3O4O4OOO1O4/rB:;;;;s5;s6;;;;;s11;s9;s13;s14;s14s15;;;;s16;s7s15s16s18s20;s14;s11;s22;;;;s23;s3s17;s16s20s29;s21s30;;s3s17s30;s29s30s31s33;s2s7s27s28s31;s11s29;s14s21s30s34s35;s13s36;s5s6s7s27;s6s21s35s39;;s9s13s38;s22;s11s23s43;s36s42;s27s28s35;s36s37s38s43;s11s23s28s34s36s37s44s47;s9s16s38;s1s31s32s33;s12s29s36s45;s43s44;s2s34;s32;s7s14s22s43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
