<?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">2022-08-03T19:12:05.000</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="2.09348422"
                        xFract="0.24370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.53609692"
                        xFract="0.99370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="2.09348422"
                        yFract="0.24370752"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.38855935"
                        xFract="0.74370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="6.38855935"
                        yFract="0.74370752"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="8.53609692"
                        yFract="0.99370752"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.24102179"
                        xFract="0.49370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.09348422"
                        xFract="0.24370752"
                        y3="4.24102179"
                        yFract="0.49370752"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.31479057"
                        xFract="0.61870752"
                        y3="5.31479057"
                        yFract="0.61870752"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a50"
                        x3="7.46232814"
                        xFract="0.86870752"
                        y3="7.46232814"
                        yFract="0.86870752"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a51"
                        x3="5.31479057"
                        xFract="0.61870752"
                        y3="1.01971543"
                        yFract="0.11870752"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a52"
                        x3="1.01971543"
                        xFract="0.11870752"
                        y3="5.31479057"
                        yFract="0.61870752"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a53"
                        x3="1.01971543"
                        xFract="0.11870752"
                        y3="1.01971543"
                        yFract="0.11870752"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a54"
                        x3="3.167253"
                        xFract="0.36870752"
                        y3="3.167253"
                        yFract="0.36870752"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="O"
                        id="a55"
                        x3="1.01971543"
                        xFract="0.11870752"
                        y3="5.31479057"
                        yFract="0.61870752"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a56"
                        x3="7.46232814"
                        xFract="0.86870752"
                        y3="3.167253"
                        yFract="0.36870752"
                        z3="8.44261278"
                        zFract="0.29302971"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a54" order="S"/>
                  <bond atomRefs2="a1 a55" order="S"/>
                  <bond atomRefs2="a9 a50" order="S"/>
                  <bond atomRefs2="a15 a56" order="S"/>
                  <bond atomRefs2="a16 a51" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a17 a56" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a50" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a33 a54" order="S"/>
                  <bond atomRefs2="a35 a49" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a40 a49" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
               </bondArray>
               <formula concise="Cu48O8">
                  <atomArray count="48 8" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3178.2031999999995</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.8O">
                  <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;56/rA:56CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4OOO0O4O1O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s21s31s35s40;s9s22s23s24;s16s38;s28s48;;s1s31s32s33;s1;s15s16s17s21;/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">576.0000</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 8</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">-208.86817205</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-208.86312351</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-208.86564778</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.3996</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3482960E-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="2.09348"
                        xFract="0.24370703"
                        y3="4.24102"
                        yFract="0.49370731"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.09348"
                        xFract="0.24370703"
                        y3="6.38856"
                        yFract="0.7437076"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.1234"
                        xFract="0.24719009"
                        y3="-0.1090"
                        yFract="-0.01268895"
                        z3="6.64379"
                        zFract="0.23059542"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.5361"
                        xFract="0.99370788"
                        y3="6.38856"
                        yFract="0.7437076"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.5361"
                        xFract="0.99370788"
                        y3="8.5361"
                        yFract="0.99370788"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="-0.03782"
                        xFract="-0.00440272"
                        y3="6.47018"
                        yFract="0.75320918"
                        z3="6.43677"
                        zFract="0.22341009"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.67312"
                        xFract="0.77683391"
                        y3="6.82898"
                        yFract="0.79497794"
                        z3="8.24623"
                        zFract="0.28621357"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="-0.12131"
                        xFract="-0.01412199"
                        y3="-0.14327"
                        yFract="-0.0166784"
                        z3="7.92276"
                        zFract="0.27498644"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.73831"
                        xFract="0.78442283"
                        y3="0.10466"
                        yFract="0.01218372"
                        z3="10.75009"
                        zFract="0.37311859"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.38856"
                        xFract="0.7437076"
                        y3="4.24102"
                        yFract="0.49370731"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.33228"
                        xFract="0.9699807"
                        y3="3.80824"
                        yFract="0.44332635"
                        z3="10.83209"
                        zFract="0.37596468"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="-0.08443"
                        xFract="-0.0098287"
                        y3="1.66671"
                        yFract="0.19402571"
                        z3="9.66928"
                        zFract="0.33560539"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.24422"
                        xFract="0.72690463"
                        y3="2.66178"
                        yFract="0.3098642"
                        z3="10.76226"
                        zFract="0.37354099"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.25781"
                        xFract="0.72848667"
                        y3="4.79503"
                        yFract="0.55820095"
                        z3="9.59941"
                        zFract="0.33318031"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.49036"
                        xFract="0.98838318"
                        y3="4.81138"
                        yFract="0.56010429"
                        z3="8.19177"
                        zFract="0.28432335"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.30735"
                        xFract="0.73425374"
                        y3="1.5227"
                        yFract="0.17726116"
                        z3="8.28807"
                        zFract="0.28766578"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="0.06389"
                        xFract="0.00743759"
                        y3="2.0721"
                        yFract="0.24121813"
                        z3="6.45474"
                        zFract="0.2240338"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.5361"
                        xFract="0.99370788"
                        y3="4.24102"
                        yFract="0.49370731"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.5361"
                        xFract="0.99370788"
                        y3="2.09348"
                        yFract="0.24370703"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.38856"
                        xFract="0.7437076"
                        y3="2.09348"
                        yFract="0.24370703"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.45984"
                        xFract="0.75200547"
                        y3="3.87668"
                        yFract="0.45129362"
                        z3="7.0846"
                        zFract="0.24589524"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="5.6236"
                        xFract="0.65465677"
                        y3="6.52866"
                        yFract="0.76001697"
                        z3="11.3349"
                        zFract="0.39341642"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="-0.56449"
                        xFract="-0.06571364"
                        y3="6.29339"
                        yFract="0.73262863"
                        z3="10.53742"
                        zFract="0.36573715"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="0.58123"
                        xFract="0.06766238"
                        y3="-0.22653"
                        yFract="-0.0263709"
                        z3="11.31384"
                        zFract="0.39268546"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.24102"
                        xFract="0.49370731"
                        y3="6.38856"
                        yFract="0.7437076"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.38856"
                        xFract="0.7437076"
                        y3="8.5361"
                        yFract="0.99370788"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.24102"
                        xFract="0.49370731"
                        y3="8.5361"
                        yFract="0.99370788"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.92062"
                        xFract="0.22358398"
                        y3="6.39403"
                        yFract="0.74434437"
                        z3="8.10516"
                        zFract="0.28131726"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.20902"
                        xFract="0.25715732"
                        y3="2.10872"
                        yFract="0.24548115"
                        z3="7.82358"
                        zFract="0.27154406"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.40452"
                        xFract="0.51274074"
                        y3="2.04916"
                        yFract="0.23854763"
                        z3="6.68383"
                        zFract="0.23198515"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.24102"
                        xFract="0.49370731"
                        y3="4.24102"
                        yFract="0.49370731"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.24102"
                        xFract="0.49370731"
                        y3="2.09348"
                        yFract="0.24370703"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.09348"
                        xFract="0.24370703"
                        y3="2.09348"
                        yFract="0.24370703"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.92693"
                        xFract="0.22431854"
                        y3="4.32089"
                        yFract="0.50300517"
                        z3="6.6920"
                        zFract="0.23226871"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="3.95178"
                        xFract="0.46003619"
                        y3="6.60981"
                        yFract="0.76946384"
                        z3="6.77113"
                        zFract="0.23501519"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="1.91508"
                        xFract="0.22293906"
                        y3="1.78911"
                        yFract="0.20827459"
                        z3="11.04501"
                        zFract="0.38335479"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.0060"
                        xFract="0.46634807"
                        y3="4.26669"
                        yFract="0.49669562"
                        z3="8.12116"
                        zFract="0.28187259"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.89828"
                        xFract="0.45380813"
                        y3="2.2934"
                        yFract="0.2669802"
                        z3="9.63164"
                        zFract="0.33429896"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.35113"
                        xFract="0.73935028"
                        y3="-0.06714"
                        yFract="-0.00781593"
                        z3="6.47343"
                        zFract="0.2246825"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.38856"
                        xFract="0.7437076"
                        y3="6.38856"
                        yFract="0.7437076"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.09348"
                        xFract="0.24370703"
                        y3="8.5361"
                        yFract="0.99370788"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.82185"
                        xFract="0.44491073"
                        y3="-0.19136"
                        yFract="-0.02227668"
                        z3="10.84245"
                        zFract="0.37632426"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.32343"
                        xFract="0.50330086"
                        y3="6.47014"
                        yFract="0.75320452"
                        z3="9.26054"
                        zFract="0.32141867"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.34543"
                        xFract="0.27303713"
                        y3="6.54845"
                        yFract="0.76232077"
                        z3="10.76582"
                        zFract="0.37366455"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.95589"
                        xFract="0.22768985"
                        y3="0.06627"
                        yFract="0.00771465"
                        z3="9.28187"
                        zFract="0.322159"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.25375"
                        xFract="0.49518924"
                        y3="0.04198"
                        yFract="0.00488699"
                        z3="8.04615"
                        zFract="0.27926912"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.20288"
                        xFract="0.48926734"
                        y3="4.53108"
                        yFract="0.52747389"
                        z3="10.80905"
                        zFract="0.375165"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.09806"
                        xFract="0.2442402"
                        y3="3.82447"
                        yFract="0.44521573"
                        z3="9.64755"
                        zFract="0.33485117"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.32555"
                        xFract="0.61996005"
                        y3="5.22475"
                        yFract="0.60822568"
                        z3="6.34784"
                        zFract="0.22032347"/>
                  <atom elementType="O"
                        id="a50"
                        x3="7.4253"
                        xFract="0.86439699"
                        y3="7.41686"
                        yFract="0.86341447"
                        z3="11.9422"
                        zFract="0.41449484"/>
                  <atom elementType="O"
                        id="a51"
                        x3="5.25498"
                        xFract="0.61174483"
                        y3="1.07195"
                        yFract="0.12478827"
                        z3="10.07085"
                        zFract="0.34954324"/>
                  <atom elementType="O"
                        id="a52"
                        x3="0.99674"
                        xFract="0.11603289"
                        y3="5.29381"
                        yFract="0.61626512"
                        z3="10.03113"
                        zFract="0.34816463"/>
                  <atom elementType="O"
                        id="a53"
                        x3="1.01972"
                        xFract="0.11870805"
                        y3="1.01972"
                        yFract="0.11870805"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a54"
                        x3="3.16725"
                        xFract="0.36870717"
                        y3="3.16725"
                        yFract="0.36870717"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="O"
                        id="a55"
                        x3="1.01972"
                        xFract="0.11870805"
                        y3="5.31479"
                        yFract="0.61870745"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a56"
                        x3="7.78453"
                        xFract="0.90621581"
                        y3="2.8634"
                        yFract="0.33333526"
                        z3="8.09894"
                        zFract="0.28110137"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a54" order="S"/>
                  <bond atomRefs2="a1 a55" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a35" order="S"/>
                  <bond atomRefs2="a3 a45" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a6 a28" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a51" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a51" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a56" order="S"/>
                  <bond atomRefs2="a16 a21" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a16 a51" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a17 a29" order="S"/>
                  <bond atomRefs2="a17 a33" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a39" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a52" order="S"/>
                  <bond atomRefs2="a24 a45" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a54" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a49" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a49" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a51" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
               </bondArray>
               <formula concise="Cu48O8">
                  <atomArray count="48 8" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3178.2031999999995</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.8O">
                  <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;56/rA:56CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O1O5O3O0O4O1O3/rB:;;;;s2;;s3;;;;s8;s9s11;s7s11s13;s14;;s8;;;;s14s15s16s20;s14;;s12;;;;s6;s3s17;s16s20s29;s30;;s3s17s29;s2s28s29s33;s2s27s28;s12s24;s30s34;s13s29s36s37;s16s20;;;;s7s14s22s28s35s37;s43;s3s8s12s24s29s36s42;s3s16s30s39s45;s14s22s38s43;s29s36s37s38s47;s21s31s35s40;s22;s9s13s16s38s42;s23s44s48;;s1s31s32s33;s1;s15s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
