<?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">2022-08-03T19:40:59.000</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>
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                        id="a1"
                        x3="2.07548983"
                        xFract="0.24161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.07548983"
                        xFract="0.24161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.07548983"
                        xFract="0.24161275"
                        y3="8.49751744"
                        yFract="0.98921639"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="8.49751744"
                        yFract="0.98921639"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="8.49751744"
                        yFract="0.98921639"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="8.49751744"
                        yFract="0.98921639"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.51810253"
                        xFract="0.99161275"
                        y3="8.49751744"
                        yFract="0.98921639"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2230274"
                        xFract="0.49161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.37056496"
                        xFract="0.74161275"
                        y3="8.49751744"
                        yFract="0.98921639"
                        z3="3.07376869"
                        zFract="0.10668564"/>
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                        id="a27"
                        x3="4.2230274"
                        xFract="0.49161275"
                        y3="8.49751744"
                        yFract="0.98921639"
                        z3="5.22130638"
                        zFract="0.18122327"/>
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                        id="a28"
                        x3="2.07548983"
                        xFract="0.24161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="9.51638148"
                        zFract="0.33029852"/>
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                        id="a29"
                        x3="2.07548983"
                        xFract="0.24161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="9.51638148"
                        zFract="0.33029852"/>
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                        id="a30"
                        x3="4.2230274"
                        xFract="0.49161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.2230274"
                        xFract="0.49161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.2230274"
                        xFract="0.49161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.07548983"
                        xFract="0.24161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.07548983"
                        xFract="0.24161275"
                        y3="4.2024423"
                        yFract="0.48921639"
                        z3="7.36884379"
                        zFract="0.25576089"/>
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                        id="a35"
                        x3="4.2230274"
                        xFract="0.49161275"
                        y3="6.34997987"
                        yFract="0.73921639"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.07548983"
                        xFract="0.24161275"
                        y3="2.05490474"
                        yFract="0.23921639"
                        z3="13.81145658"
                        zFract="0.47937377"/>
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                        id="a37"
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                        xFract="0.49161275"
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                        yFract="0.48921639"
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                        zFract="0.33029852"/>
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                        id="a38"
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                        xFract="0.49161275"
                        y3="2.05490474"
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                        id="a41"
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                        xFract="0.24161275"
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                        z3="3.07376869"
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                  <bond atomRefs2="a48 a53" order="S"/>
               </bondArray>
               <formula concise="Cu48O18">
                  <atomArray count="48 18" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3338.197200000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.18O">
                  <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;57;58;59;60;61;62;63;64;65;66/rA:66CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4OOOO0O4O4O4O1OO4O4O1O4O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s21s31s35s40;s9s22s23s24;s6s7s8s39;s16s38;s28s48;s20s30;;s29s30s34s37;s1s31s32s33;s42s43s44s45;s1;s2s34;s2s25s27s41;s11s12s13s14;s32;s15s16s17s21;s10s18s19s20;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">636.0000</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 18</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 2 3 4 5 6 7 8 9 10</array>
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0.006422 0.004942 -0.035016 -0.006758 -0.010084 0.005062 0.007087 0.013966 0.020086 -0.003812 0.017984 0.001807 0.019036 0.014678 1.639704 -0.010800 -0.057388 0.017676 0.368580 0.264105 -0.409430 0.025559 -0.027659 -0.000504 0.265360 -0.196468 1.439308 0.027458 -0.007750 -0.000395 -0.168992 0.145006 0.079258 0.009054 0.008195 -0.011240 -0.205082 0.248621 1.453203 -0.010498 -0.028981 -0.007623 0.182850 -0.224126 0.162981 0.004058 -0.022328 0.021843</matrix>
               </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">-277.21403027</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-277.19836294</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-277.20619661</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.1528</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1302395E-03</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="2.07549"
                        xFract="0.24161277"
                        y3="4.20244"
                        yFract="0.48921612"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.07549"
                        xFract="0.24161277"
                        y3="6.34998"
                        yFract="0.7392164"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.06504"
                        xFract="0.24039626"
                        y3="0.00367"
                        yFract="0.00042723"
                        z3="7.01377"
                        zFract="0.24343684"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.5181"
                        xFract="0.99161246"
                        y3="6.34998"
                        yFract="0.7392164"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.5181"
                        xFract="0.99161246"
                        y3="8.49752"
                        yFract="0.98921669"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="-0.02705"
                        xFract="-0.00314896"
                        y3="6.63209"
                        yFract="0.77205751"
                        z3="7.09499"
                        zFract="0.24625586"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.48388"
                        xFract="0.75480403"
                        y3="6.42615"
                        yFract="0.74808354"
                        z3="9.19968"
                        zFract="0.31930631"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.24443"
                        xFract="0.02845468"
                        y3="0.08614"
                        yFract="0.01002776"
                        z3="9.46369"
                        zFract="0.32846968"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.36686"
                        xFract="0.74118145"
                        y3="8.40654"
                        yFract="0.97862549"
                        z3="11.23288"
                        zFract="0.38987546"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.37056"
                        xFract="0.74161217"
                        y3="4.20244"
                        yFract="0.48921612"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="0.50668"
                        xFract="0.05898383"
                        y3="3.94717"
                        yFract="0.45949953"
                        z3="12.68389"
                        zFract="0.44023772"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="-0.09327"
                        xFract="-0.01085778"
                        y3="2.26095"
                        yFract="0.26320261"
                        z3="10.78024"
                        zFract="0.37416505"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.76666"
                        xFract="0.67131072"
                        y3="2.08046"
                        yFract="0.24219134"
                        z3="12.68015"
                        zFract="0.44010791"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.35189"
                        xFract="0.73943875"
                        y3="4.16132"
                        yFract="0.48442924"
                        z3="11.28092"
                        zFract="0.39154286"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="-0.04879"
                        xFract="-0.00567976"
                        y3="4.21911"
                        yFract="0.49115672"
                        z3="9.01428"
                        zFract="0.31287137"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.56803"
                        xFract="0.76460013"
                        y3="1.87815"
                        yFract="0.21863995"
                        z3="9.0140"
                        zFract="0.31286165"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="0.28283"
                        xFract="0.03292492"
                        y3="1.76236"
                        yFract="0.20516056"
                        z3="6.91051"
                        zFract="0.23985285"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.5181"
                        xFract="0.99161246"
                        y3="4.20244"
                        yFract="0.48921612"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.5181"
                        xFract="0.99161246"
                        y3="2.0549"
                        yFract="0.23921584"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.37056"
                        xFract="0.74161217"
                        y3="2.0549"
                        yFract="0.23921584"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.37943"
                        xFract="0.74264475"
                        y3="4.17725"
                        yFract="0.48628369"
                        z3="7.17345"
                        zFract="0.24897908"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.19824"
                        xFract="0.72155199"
                        y3="6.13506"
                        yFract="0.71419705"
                        z3="12.73307"
                        zFract="0.44194468"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="-0.01471"
                        xFract="-0.00171243"
                        y3="6.38051"
                        yFract="0.74277048"
                        z3="11.23301"
                        zFract="0.38987998"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="0.23947"
                        xFract="0.02787728"
                        y3="0.27745"
                        yFract="0.03229862"
                        z3="12.09007"
                        zFract="0.41962717"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.22303"
                        xFract="0.49161305"
                        y3="6.34998"
                        yFract="0.7392164"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.37056"
                        xFract="0.74161217"
                        y3="8.49752"
                        yFract="0.98921669"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.22303"
                        xFract="0.49161305"
                        y3="8.49752"
                        yFract="0.98921669"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.10152"
                        xFract="0.24464298"
                        y3="6.76613"
                        yFract="0.78766142"
                        z3="8.8449"
                        zFract="0.30699246"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.99538"
                        xFract="0.23228697"
                        y3="1.69122"
                        yFract="0.19687898"
                        z3="9.34833"
                        zFract="0.32446572"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.02912"
                        xFract="0.46903952"
                        y3="1.96988"
                        yFract="0.22931846"
                        z3="7.20192"
                        zFract="0.24996723"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.22303"
                        xFract="0.49161305"
                        y3="4.20244"
                        yFract="0.48921612"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.22303"
                        xFract="0.49161305"
                        y3="2.0549"
                        yFract="0.23921584"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.07549"
                        xFract="0.24161277"
                        y3="2.0549"
                        yFract="0.23921584"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.08427"
                        xFract="0.24263487"
                        y3="4.15837"
                        yFract="0.48408583"
                        z3="7.19598"
                        zFract="0.24976106"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="3.90493"
                        xFract="0.45458227"
                        y3="6.62451"
                        yFract="0.7711751"
                        z3="7.19783"
                        zFract="0.24982527"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.07541"
                        xFract="0.24160346"
                        y3="1.98943"
                        yFract="0.23159432"
                        z3="11.99286"
                        zFract="0.41625316"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.18432"
                        xFract="0.48710673"
                        y3="4.12161"
                        yFract="0.47980651"
                        z3="9.26227"
                        zFract="0.32147871"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.22559"
                        xFract="0.49191107"
                        y3="1.90521"
                        yFract="0.22179007"
                        z3="10.78752"
                        zFract="0.37441772"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.58969"
                        xFract="0.76712162"
                        y3="8.46768"
                        yFract="0.98574294"
                        z3="7.04444"
                        zFract="0.24450135"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.37056"
                        xFract="0.74161217"
                        y3="6.34998"
                        yFract="0.7392164"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.07549"
                        xFract="0.24161277"
                        y3="8.49752"
                        yFract="0.98921669"
                        z3="3.07377"
                        zFract="0.10668569"/>
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                        yFract="0.04727508"
                        z3="12.70878"
                        zFract="0.44110161"/>
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                        yFract="0.7322887"
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                        zFract="0.44145113"/>
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                        yFract="-0.02906352"
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                        zFract="0.37776257"/>
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                        x3="3.90415"
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                        yFract="0.97845436"
                        z3="8.88232"
                        zFract="0.30829125"/>
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                        zFract="0.06941683"/>
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                        y3="2.99315"
                        yFract="0.34843977"
                        z3="7.95441"
                        zFract="0.27608497"/>
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                        id="a65"
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                        z3="4.14754"
                        zFract="0.14395454"/>
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                        yFract="0.61458063"
                        z3="10.11375"
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                  <bond atomRefs2="a9 a50" order="S"/>
                  <bond atomRefs2="a10 a65" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a36" order="S"/>
                  <bond atomRefs2="a11 a48" order="S"/>
                  <bond atomRefs2="a11 a44" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a62" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a66" order="S"/>
                  <bond atomRefs2="a14 a62" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a17 a33" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a19 a65" order="S"/>
                  <bond atomRefs2="a20 a65" order="S"/>
                  <bond atomRefs2="a20 a54" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a53" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a45" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a28 a46" order="S"/>
                  <bond atomRefs2="a28 a53" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a30 a56" order="S"/>
                  <bond atomRefs2="a30 a54" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a32 a57" order="S"/>
                  <bond atomRefs2="a32 a63" order="S"/>
                  <bond atomRefs2="a33 a57" order="S"/>
                  <bond atomRefs2="a34 a56" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a35 a49" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a37 a66" order="S"/>
                  <bond atomRefs2="a37 a56" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a52" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a40 a49" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a66" order="S"/>
                  <bond atomRefs2="a43 a58" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a58" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a53" order="S"/>
               </bondArray>
               <formula concise="Cu48O18">
                  <atomArray count="48 18" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3338.197200000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.18O">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
