<?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">5.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">05Feb16 (build Aug 31 2021 10:13:08) gamma-only</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">IFC91_ompi</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2024-09-02T23:07:15.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">35.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">35.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">35.0</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="16.0531"
                        xFract="0.45866"
                        y3="23.9883"
                        yFract="0.68538"
                        z3="10.0569"
                        zFract="0.28734"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="18.59305"
                        xFract="0.53123"
                        y3="23.99705"
                        yFract="0.68563"
                        z3="10.08455"
                        zFract="0.28813"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="16.02545"
                        xFract="0.45787"
                        y3="25.4632"
                        yFract="0.72752"
                        z3="12.1247"
                        zFract="0.34642"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="18.5654"
                        xFract="0.53044"
                        y3="25.47195"
                        yFract="0.72777"
                        z3="12.15235"
                        zFract="0.34721"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.50825"
                        xFract="0.38595"
                        y3="19.6140"
                        yFract="0.5604"
                        z3="9.99845"
                        zFract="0.28567"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="17.3320"
                        xFract="0.4952"
                        y3="21.8204"
                        yFract="0.62344"
                        z3="9.91655"
                        zFract="0.28333"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="16.05905"
                        xFract="0.45883"
                        y3="19.6203"
                        yFract="0.56058"
                        z3="9.91165"
                        zFract="0.28319"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="18.61965"
                        xFract="0.53199"
                        y3="19.62905"
                        yFract="0.56083"
                        z3="9.9393"
                        zFract="0.28398"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="14.7686"
                        xFract="0.42196"
                        y3="21.8106"
                        yFract="0.62316"
                        z3="10.00545"
                        zFract="0.28587"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="14.6468"
                        xFract="0.41848"
                        y3="23.3541"
                        yFract="0.66726"
                        z3="12.05085"
                        zFract="0.34431"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.38645"
                        xFract="0.38247"
                        y3="21.14665"
                        yFract="0.60419"
                        z3="12.03545"
                        zFract="0.34387"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="16.0132"
                        xFract="0.45752"
                        y3="21.13895"
                        yFract="0.60397"
                        z3="12.05435"
                        zFract="0.34441"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="13.3588"
                        xFract="0.38168"
                        y3="22.63345"
                        yFract="0.64667"
                        z3="14.1204"
                        zFract="0.40344"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="21.1680"
                        xFract="0.6048"
                        y3="19.6399"
                        yFract="0.56114"
                        z3="10.0814"
                        zFract="0.28804"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="19.89295"
                        xFract="0.56837"
                        y3="21.8281"
                        yFract="0.62366"
                        z3="10.0611"
                        zFract="0.28746"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="19.9598"
                        xFract="0.57028"
                        y3="23.37195"
                        yFract="0.66777"
                        z3="12.10825"
                        zFract="0.34595"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="18.6088"
                        xFract="0.53168"
                        y3="21.1477"
                        yFract="0.60422"
                        z3="12.0827"
                        zFract="0.34522"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="21.2352"
                        xFract="0.60672"
                        y3="21.17325"
                        yFract="0.60495"
                        z3="12.1205"
                        zFract="0.3463"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="17.3033"
                        xFract="0.49438"
                        y3="23.3394"
                        yFract="0.66684"
                        z3="12.09635"
                        zFract="0.34561"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="17.2746"
                        xFract="0.49356"
                        y3="24.90565"
                        yFract="0.71159"
                        z3="14.2422"
                        zFract="0.40692"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="15.9852"
                        xFract="0.45672"
                        y3="22.64605"
                        yFract="0.64703"
                        z3="14.16765"
                        zFract="0.40479"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="18.5808"
                        xFract="0.53088"
                        y3="22.6548"
                        yFract="0.64728"
                        z3="14.19565"
                        zFract="0.40559"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="14.7133"
                        xFract="0.42038"
                        y3="24.7863"
                        yFract="0.70818"
                        z3="14.1778"
                        zFract="0.40508"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.42565"
                        xFract="0.38359"
                        y3="24.06145"
                        yFract="0.68747"
                        z3="16.2344"
                        zFract="0.46384"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.97435"
                        xFract="0.45641"
                        y3="24.17765"
                        yFract="0.69079"
                        z3="16.3016"
                        zFract="0.46576"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="21.20755"
                        xFract="0.60593"
                        y3="22.66005"
                        yFract="0.64743"
                        z3="14.20545"
                        zFract="0.40587"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="19.83765"
                        xFract="0.56679"
                        y3="24.8038"
                        yFract="0.70868"
                        z3="14.2331"
                        zFract="0.40666"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="18.53495"
                        xFract="0.52957"
                        y3="24.1864"
                        yFract="0.69104"
                        z3="16.32925"
                        zFract="0.46655"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="21.0854"
                        xFract="0.60244"
                        y3="24.0877"
                        yFract="0.68822"
                        z3="16.31735"
                        zFract="0.46621"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="11.0222"
                        xFract="0.31492"
                        y3="15.20575"
                        yFract="0.43445"
                        z3="10.03765"
                        zFract="0.28679"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="14.79345"
                        xFract="0.42267"
                        y3="17.41075"
                        yFract="0.49745"
                        z3="9.90675"
                        zFract="0.28305"/>
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                        id="a32"
                        x3="13.5394"
                        xFract="0.38684"
                        y3="15.19945"
                        yFract="0.43427"
                        z3="9.90185"
                        zFract="0.28291"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="16.0811"
                        xFract="0.45946"
                        y3="15.19735"
                        yFract="0.43421"
                        z3="9.9295"
                        zFract="0.2837"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="12.25105"
                        xFract="0.35003"
                        y3="17.41565"
                        yFract="0.49759"
                        z3="9.99565"
                        zFract="0.28559"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="12.12085"
                        xFract="0.34631"
                        y3="18.93675"
                        yFract="0.54105"
                        z3="12.03055"
                        zFract="0.34373"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="10.8542"
                        xFract="0.31012"
                        y3="16.73315"
                        yFract="0.47809"
                        z3="12.03615"
                        zFract="0.34389"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="13.4561"
                        xFract="0.38446"
                        y3="16.67505"
                        yFract="0.47643"
                        z3="12.04455"
                        zFract="0.34413"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="10.82025"
                        xFract="0.30915"
                        y3="18.20175"
                        yFract="0.52005"
                        z3="14.1106"
                        zFract="0.40316"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="19.9003"
                        xFract="0.56858"
                        y3="17.4279"
                        yFract="0.49794"
                        z3="9.96205"
                        zFract="0.28463"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="18.62735"
                        xFract="0.53221"
                        y3="15.2061"
                        yFract="0.43446"
                        z3="9.95715"
                        zFract="0.28449"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="21.16905"
                        xFract="0.60483"
                        y3="15.2257"
                        yFract="0.43502"
                        z3="9.9848"
                        zFract="0.28528"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="17.34705"
                        xFract="0.49563"
                        y3="17.4153"
                        yFract="0.49758"
                        z3="9.91655"
                        zFract="0.28333"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="17.3187"
                        xFract="0.49482"
                        y3="18.9175"
                        yFract="0.5405"
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                        id="a44"
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                        id="a45"
                        x3="18.6200"
                        xFract="0.5320"
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                        id="a46"
                        x3="14.7343"
                        xFract="0.42098"
                        y3="18.9070"
                        yFract="0.5402"
                        z3="12.04875"
                        zFract="0.34425"/>
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                        id="a47"
                        x3="14.6979"
                        xFract="0.41994"
                        y3="20.41445"
                        yFract="0.58327"
                        z3="14.14805"
                        zFract="0.40423"/>
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                        id="a48"
                        x3="13.41165"
                        xFract="0.38319"
                        y3="18.1692"
                        yFract="0.51912"
                        z3="14.1428"
                        zFract="0.40408"/>
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                        id="a49"
                        x3="16.0013"
                        xFract="0.45718"
                        y3="18.17655"
                        yFract="0.51933"
                        z3="14.1680"
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                        id="a50"
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                        z3="14.10535"
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                        id="a51"
                        x3="12.06555"
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                        y3="21.9023"
                        yFract="0.62578"
                        z3="16.18855"
                        zFract="0.46253"/>
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                        id="a52"
                        x3="10.79295"
                        xFract="0.30837"
                        y3="19.68015"
                        yFract="0.56229"
                        z3="16.18365"
                        zFract="0.46239"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="13.38365"
                        xFract="0.38239"
                        y3="19.6714"
                        yFract="0.56204"
                        z3="16.24945"
                        zFract="0.46427"/>
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                        id="a54"
                        x3="10.7716"
                        xFract="0.30776"
                        y3="21.16345"
                        yFract="0.60467"
                        z3="18.24795"
                        zFract="0.52137"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="23.68275"
                        xFract="0.67665"
                        y3="15.2488"
                        yFract="0.43568"
                        z3="10.17485"
                        zFract="0.29071"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="22.44025"
                        xFract="0.64115"
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                        zFract="0.28875"/>
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                        id="a57"
                        x3="22.51585"
                        xFract="0.64331"
                        y3="18.9721"
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                        id="a58"
                        x3="21.19565"
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                        id="a59"
                        x3="23.79685"
                        xFract="0.67991"
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                        z3="12.1765"
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                        id="a60"
                        x3="19.90275"
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                        y3="18.92485"
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                        z3="12.10475"
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                        id="a61"
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                        id="a62"
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                        id="a63"
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                        id="a64"
                        x3="17.2907"
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                        y3="20.4323"
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                        z3="14.1694"
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                        id="a65"
                        x3="17.2627"
                        xFract="0.49322"
                        y3="21.9289"
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                        z3="16.2869"
                        zFract="0.46534"/>
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                        id="a66"
                        x3="15.9733"
                        xFract="0.45638"
                        y3="19.6826"
                        yFract="0.56236"
                        z3="16.2799"
                        zFract="0.46514"/>
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                        id="a67"
                        x3="18.56715"
                        xFract="0.53049"
                        y3="19.6917"
                        yFract="0.56262"
                        z3="16.3079"
                        zFract="0.46594"/>
                  <atom elementType="Cu"
                        id="a68"
                        x3="14.6783"
                        xFract="0.41938"
                        y3="21.90825"
                        yFract="0.62595"
                        z3="16.2568"
                        zFract="0.46448"/>
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                        id="a69"
                        x3="14.6811"
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                        id="a70"
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                  <bond atomRefs2="a217 a218" order="S"/>
                  <bond atomRefs2="a218 a219" order="S"/>
                  <bond atomRefs2="a218 a223" order="S"/>
                  <bond atomRefs2="a218 a225" order="S"/>
                  <bond atomRefs2="a218 a220" order="S"/>
                  <bond atomRefs2="a219 a223" order="S"/>
                  <bond atomRefs2="a219 a220" order="S"/>
                  <bond atomRefs2="a220 a221" order="S"/>
                  <bond atomRefs2="a220 a222" order="S"/>
                  <bond atomRefs2="a220 a223" order="S"/>
                  <bond atomRefs2="a221 a222" order="S"/>
                  <bond atomRefs2="a221 a224" order="S"/>
                  <bond atomRefs2="a221 a225" order="S"/>
                  <bond atomRefs2="a221 a223" order="S"/>
                  <bond atomRefs2="a222 a224" order="S"/>
                  <bond atomRefs2="a222 a223" order="S"/>
                  <bond atomRefs2="a223 a225" order="S"/>
                  <bond atomRefs2="a224 a226" order="S"/>
                  <bond atomRefs2="a226 a227" order="S"/>
               </bondArray>
               <formula concise="CCu225O">
                  <atomArray count="1 225 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">14325.86010000004</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.2000</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">2485.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.10</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">RP</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">9</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>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Cu C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">63.546 12.011 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.000 4.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">225 1 1</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="1">1</array>
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0.000678 -0.000115 0.000979 0.000386 -0.000739 0.001401 0.000986 0.000221 0.018496 0.011307 -0.032397 -0.021003 -0.006507 -0.020228 0.001552 0.000287 0.000094 0.001621 0.001357 0.000090 -0.002108 0.000066 0.001595 0.002856 -0.000204 -0.000146 0.001293 0.000364 -0.000047 0.002389 0.001393 -0.000366 0.002150 0.000367 0.000723 0.003656 -0.000091 0.000319 0.002714 0.000957 -0.000118 0.001571 -0.001582 -0.001887 0.002044 0.000612 -0.000142 0.008447 0.005853 -0.005210 -0.006296 0.007328 0.009892</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">-667.63211349</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-667.64479177</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-667.63633958</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.5379</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">35.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">35.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">35.0</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="16.0531"
                        xFract="0.45866"
                        y3="23.9883"
                        yFract="0.68538"
                        z3="10.0569"
                        zFract="0.28734"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="18.59305"
                        xFract="0.53123"
                        y3="23.99705"
                        yFract="0.68563"
                        z3="10.08455"
                        zFract="0.28813"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="16.02545"
                        xFract="0.45787"
                        y3="25.4632"
                        yFract="0.72752"
                        z3="12.1247"
                        zFract="0.34642"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="18.5654"
                        xFract="0.53044"
                        y3="25.47195"
                        yFract="0.72777"
                        z3="12.15235"
                        zFract="0.34721"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.50825"
                        xFract="0.38595"
                        y3="19.6140"
                        yFract="0.5604"
                        z3="9.99845"
                        zFract="0.28567"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="17.3320"
                        xFract="0.4952"
                        y3="21.8204"
                        yFract="0.62344"
                        z3="9.91655"
                        zFract="0.28333"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="16.05905"
                        xFract="0.45883"
                        y3="19.6203"
                        yFract="0.56058"
                        z3="9.91165"
                        zFract="0.28319"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="18.61965"
                        xFract="0.53199"
                        y3="19.62905"
                        yFract="0.56083"
                        z3="9.9393"
                        zFract="0.28398"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="14.7686"
                        xFract="0.42196"
                        y3="21.8106"
                        yFract="0.62316"
                        z3="10.00545"
                        zFract="0.28587"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="14.6468"
                        xFract="0.41848"
                        y3="23.3541"
                        yFract="0.66726"
                        z3="12.05085"
                        zFract="0.34431"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.38645"
                        xFract="0.38247"
                        y3="21.14665"
                        yFract="0.60419"
                        z3="12.03545"
                        zFract="0.34387"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="16.0132"
                        xFract="0.45752"
                        y3="21.13895"
                        yFract="0.60397"
                        z3="12.05435"
                        zFract="0.34441"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="13.3588"
                        xFract="0.38168"
                        y3="22.63345"
                        yFract="0.64667"
                        z3="14.1204"
                        zFract="0.40344"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="21.1680"
                        xFract="0.6048"
                        y3="19.6399"
                        yFract="0.56114"
                        z3="10.0814"
                        zFract="0.28804"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="19.89295"
                        xFract="0.56837"
                        y3="21.8281"
                        yFract="0.62366"
                        z3="10.0611"
                        zFract="0.28746"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="19.9598"
                        xFract="0.57028"
                        y3="23.37195"
                        yFract="0.66777"
                        z3="12.10825"
                        zFract="0.34595"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="18.6088"
                        xFract="0.53168"
                        y3="21.1477"
                        yFract="0.60422"
                        z3="12.0827"
                        zFract="0.34522"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="21.2352"
                        xFract="0.60672"
                        y3="21.17325"
                        yFract="0.60495"
                        z3="12.1205"
                        zFract="0.3463"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="17.3033"
                        xFract="0.49438"
                        y3="23.3394"
                        yFract="0.66684"
                        z3="12.09635"
                        zFract="0.34561"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="17.2746"
                        xFract="0.49356"
                        y3="24.90565"
                        yFract="0.71159"
                        z3="14.2422"
                        zFract="0.40692"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="15.9852"
                        xFract="0.45672"
                        y3="22.64605"
                        yFract="0.64703"
                        z3="14.16765"
                        zFract="0.40479"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="18.5808"
                        xFract="0.53088"
                        y3="22.6548"
                        yFract="0.64728"
                        z3="14.19565"
                        zFract="0.40559"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="14.7133"
                        xFract="0.42038"
                        y3="24.7863"
                        yFract="0.70818"
                        z3="14.1778"
                        zFract="0.40508"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.42565"
                        xFract="0.38359"
                        y3="24.06145"
                        yFract="0.68747"
                        z3="16.2344"
                        zFract="0.46384"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.97435"
                        xFract="0.45641"
                        y3="24.17765"
                        yFract="0.69079"
                        z3="16.3016"
                        zFract="0.46576"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="21.20755"
                        xFract="0.60593"
                        y3="22.66005"
                        yFract="0.64743"
                        z3="14.20545"
                        zFract="0.40587"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="19.83765"
                        xFract="0.56679"
                        y3="24.8038"
                        yFract="0.70868"
                        z3="14.2331"
                        zFract="0.40666"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="18.53495"
                        xFract="0.52957"
                        y3="24.1864"
                        yFract="0.69104"
                        z3="16.32925"
                        zFract="0.46655"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="21.0854"
                        xFract="0.60244"
                        y3="24.0877"
                        yFract="0.68822"
                        z3="16.31735"
                        zFract="0.46621"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="11.0222"
                        xFract="0.31492"
                        y3="15.20575"
                        yFract="0.43445"
                        z3="10.03765"
                        zFract="0.28679"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="14.79345"
                        xFract="0.42267"
                        y3="17.41075"
                        yFract="0.49745"
                        z3="9.90675"
                        zFract="0.28305"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="13.5394"
                        xFract="0.38684"
                        y3="15.19945"
                        yFract="0.43427"
                        z3="9.90185"
                        zFract="0.28291"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="16.0811"
                        xFract="0.45946"
                        y3="15.19735"
                        yFract="0.43421"
                        z3="9.9295"
                        zFract="0.2837"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="12.25105"
                        xFract="0.35003"
                        y3="17.41565"
                        yFract="0.49759"
                        z3="9.99565"
                        zFract="0.28559"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="12.12085"
                        xFract="0.34631"
                        y3="18.93675"
                        yFract="0.54105"
                        z3="12.03055"
                        zFract="0.34373"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="10.8542"
                        xFract="0.31012"
                        y3="16.73315"
                        yFract="0.47809"
                        z3="12.03615"
                        zFract="0.34389"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="13.4561"
                        xFract="0.38446"
                        y3="16.67505"
                        yFract="0.47643"
                        z3="12.04455"
                        zFract="0.34413"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="10.82025"
                        xFract="0.30915"
                        y3="18.20175"
                        yFract="0.52005"
                        z3="14.1106"
                        zFract="0.40316"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="19.9003"
                        xFract="0.56858"
                        y3="17.4279"
                        yFract="0.49794"
                        z3="9.96205"
                        zFract="0.28463"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="18.62735"
                        xFract="0.53221"
                        y3="15.2061"
                        yFract="0.43446"
                        z3="9.95715"
                        zFract="0.28449"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="21.16905"
                        xFract="0.60483"
                        y3="15.2257"
                        yFract="0.43502"
                        z3="9.9848"
                        zFract="0.28528"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="17.34705"
                        xFract="0.49563"
                        y3="17.4153"
                        yFract="0.49758"
                        z3="9.91655"
                        zFract="0.28333"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="17.3187"
                        xFract="0.49482"
                        y3="18.9175"
                        yFract="0.5405"
                        z3="12.06485"
                        zFract="0.34471"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="16.03245"
                        xFract="0.45807"
                        y3="16.6726"
                        yFract="0.47636"
                        z3="12.05995"
                        zFract="0.34457"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="18.6200"
                        xFract="0.5320"
                        y3="16.68135"
                        yFract="0.47661"
                        z3="12.08795"
                        zFract="0.34537"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="14.7343"
                        xFract="0.42098"
                        y3="18.9070"
                        yFract="0.5402"
                        z3="12.04875"
                        zFract="0.34425"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="14.6979"
                        xFract="0.41994"
                        y3="20.41445"
                        yFract="0.58327"
                        z3="14.14805"
                        zFract="0.40423"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="13.41165"
                        xFract="0.38319"
                        y3="18.1692"
                        yFract="0.51912"
                        z3="14.1428"
                        zFract="0.40408"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="16.0013"
                        xFract="0.45718"
                        y3="18.17655"
                        yFract="0.51933"
                        z3="14.1680"
                        zFract="0.4048"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="12.07605"
                        xFract="0.34503"
                        y3="20.4253"
                        yFract="0.58358"
                        z3="14.10535"
                        zFract="0.40301"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="12.06555"
                        xFract="0.34473"
                        y3="21.9023"
                        yFract="0.62578"
                        z3="16.18855"
                        zFract="0.46253"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="10.79295"
                        xFract="0.30837"
                        y3="19.68015"
                        yFract="0.56229"
                        z3="16.18365"
                        zFract="0.46239"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="13.38365"
                        xFract="0.38239"
                        y3="19.6714"
                        yFract="0.56204"
                        z3="16.24945"
                        zFract="0.46427"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.7716"
                        xFract="0.30776"
                        y3="21.16345"
                        yFract="0.60467"
                        z3="18.24795"
                        zFract="0.52137"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="23.68275"
                        xFract="0.67665"
                        y3="15.2488"
                        yFract="0.43568"
                        z3="10.17485"
                        zFract="0.29071"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="22.44025"
                        xFract="0.64115"
                        y3="17.4503"
                        yFract="0.49858"
                        z3="10.10625"
                        zFract="0.28875"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="22.51585"
                        xFract="0.64331"
                        y3="18.9721"
                        yFract="0.54206"
                        z3="12.14325"
                        zFract="0.34695"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="21.19565"
                        xFract="0.60559"
                        y3="16.7013"
                        yFract="0.47718"
                        z3="12.12855"
                        zFract="0.34653"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="23.79685"
                        xFract="0.67991"
                        y3="16.77725"
                        yFract="0.47935"
                        z3="12.1765"
                        zFract="0.3479"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="19.90275"
                        xFract="0.56865"
                        y3="18.92485"
                        yFract="0.54071"
                        z3="12.10475"
                        zFract="0.34585"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="19.8835"
                        xFract="0.5681"
                        y3="20.43195"
                        yFract="0.58377"
                        z3="14.20405"
                        zFract="0.40583"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="18.59515"
                        xFract="0.53129"
                        y3="18.18565"
                        yFract="0.51959"
                        z3="14.1960"
                        zFract="0.4056"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="21.1848"
                        xFract="0.60528"
                        y3="18.1958"
                        yFract="0.51988"
                        z3="14.22715"
                        zFract="0.40649"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="17.2907"
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                  <bond atomRefs2="a192 a195" order="S"/>
                  <bond atomRefs2="a193 a213" order="S"/>
                  <bond atomRefs2="a193 a217" order="S"/>
                  <bond atomRefs2="a193 a198" order="S"/>
                  <bond atomRefs2="a193 a194" order="S"/>
                  <bond atomRefs2="a193 a218" order="S"/>
                  <bond atomRefs2="a193 a220" order="S"/>
                  <bond atomRefs2="a193 a195" order="S"/>
                  <bond atomRefs2="a194 a204" order="S"/>
                  <bond atomRefs2="a194 a206" order="S"/>
                  <bond atomRefs2="a194 a218" order="S"/>
                  <bond atomRefs2="a194 a217" order="S"/>
                  <bond atomRefs2="a195 a196" order="S"/>
                  <bond atomRefs2="a195 a197" order="S"/>
                  <bond atomRefs2="a195 a198" order="S"/>
                  <bond atomRefs2="a196 a202" order="S"/>
                  <bond atomRefs2="a196 a197" order="S"/>
                  <bond atomRefs2="a196 a199" order="S"/>
                  <bond atomRefs2="a196 a211" order="S"/>
                  <bond atomRefs2="a196 a207" order="S"/>
                  <bond atomRefs2="a196 a198" order="S"/>
                  <bond atomRefs2="a196 a209" order="S"/>
                  <bond atomRefs2="a197 a221" order="S"/>
                  <bond atomRefs2="a197 a202" order="S"/>
                  <bond atomRefs2="a197 a220" order="S"/>
                  <bond atomRefs2="a197 a199" order="S"/>
                  <bond atomRefs2="a197 a224" order="S"/>
                  <bond atomRefs2="a197 a215" order="S"/>
                  <bond atomRefs2="a197 a198" order="S"/>
                  <bond atomRefs2="a198 a207" order="S"/>
                  <bond atomRefs2="a198 a225" order="S"/>
                  <bond atomRefs2="a198 a209" order="S"/>
                  <bond atomRefs2="a198 a206" order="S"/>
                  <bond atomRefs2="a198 a218" order="S"/>
                  <bond atomRefs2="a198 a221" order="S"/>
                  <bond atomRefs2="a198 a220" order="S"/>
                  <bond atomRefs2="a199 a201" order="S"/>
                  <bond atomRefs2="a199 a202" order="S"/>
                  <bond atomRefs2="a199 a200" order="S"/>
                  <bond atomRefs2="a200 a211" order="S"/>
                  <bond atomRefs2="a200 a203" order="S"/>
                  <bond atomRefs2="a200 a201" order="S"/>
                  <bond atomRefs2="a200 a202" order="S"/>
                  <bond atomRefs2="a201 a224" order="S"/>
                  <bond atomRefs2="a201 a202" order="S"/>
                  <bond atomRefs2="a201 a203" order="S"/>
                  <bond atomRefs2="a202 a221" order="S"/>
                  <bond atomRefs2="a202 a224" order="S"/>
                  <bond atomRefs2="a202 a211" order="S"/>
                  <bond atomRefs2="a202 a209" order="S"/>
                  <bond atomRefs2="a204 a205" order="S"/>
                  <bond atomRefs2="a204 a206" order="S"/>
                  <bond atomRefs2="a205 a210" order="S"/>
                  <bond atomRefs2="a205 a206" order="S"/>
                  <bond atomRefs2="a205 a207" order="S"/>
                  <bond atomRefs2="a205 a212" order="S"/>
                  <bond atomRefs2="a206 a218" order="S"/>
                  <bond atomRefs2="a206 a210" order="S"/>
                  <bond atomRefs2="a206 a207" order="S"/>
                  <bond atomRefs2="a206 a225" order="S"/>
                  <bond atomRefs2="a207 a209" order="S"/>
                  <bond atomRefs2="a207 a210" order="S"/>
                  <bond atomRefs2="a207 a208" order="S"/>
                  <bond atomRefs2="a208 a212" order="S"/>
                  <bond atomRefs2="a208 a209" order="S"/>
                  <bond atomRefs2="a208 a210" order="S"/>
                  <bond atomRefs2="a208 a211" order="S"/>
                  <bond atomRefs2="a209 a225" order="S"/>
                  <bond atomRefs2="a209 a210" order="S"/>
                  <bond atomRefs2="a209 a221" order="S"/>
                  <bond atomRefs2="a209 a211" order="S"/>
                  <bond atomRefs2="a210 a225" order="S"/>
                  <bond atomRefs2="a210 a212" order="S"/>
                  <bond atomRefs2="a213 a217" order="S"/>
                  <bond atomRefs2="a213 a219" order="S"/>
                  <bond atomRefs2="a213 a216" order="S"/>
                  <bond atomRefs2="a213 a214" order="S"/>
                  <bond atomRefs2="a213 a220" order="S"/>
                  <bond atomRefs2="a214 a216" order="S"/>
                  <bond atomRefs2="a214 a215" order="S"/>
                  <bond atomRefs2="a215 a224" order="S"/>
                  <bond atomRefs2="a215 a216" order="S"/>
                  <bond atomRefs2="a215 a220" order="S"/>
                  <bond atomRefs2="a215 a222" order="S"/>
                  <bond atomRefs2="a216 a220" order="S"/>
                  <bond atomRefs2="a216 a222" order="S"/>
                  <bond atomRefs2="a216 a219" order="S"/>
                  <bond atomRefs2="a217 a219" order="S"/>
                  <bond atomRefs2="a217 a218" order="S"/>
                  <bond atomRefs2="a218 a219" order="S"/>
                  <bond atomRefs2="a218 a223" order="S"/>
                  <bond atomRefs2="a218 a225" order="S"/>
                  <bond atomRefs2="a218 a220" order="S"/>
                  <bond atomRefs2="a219 a223" order="S"/>
                  <bond atomRefs2="a219 a220" order="S"/>
                  <bond atomRefs2="a220 a221" order="S"/>
                  <bond atomRefs2="a220 a222" order="S"/>
                  <bond atomRefs2="a220 a223" order="S"/>
                  <bond atomRefs2="a221 a222" order="S"/>
                  <bond atomRefs2="a221 a224" order="S"/>
                  <bond atomRefs2="a221 a225" order="S"/>
                  <bond atomRefs2="a221 a223" order="S"/>
                  <bond atomRefs2="a222 a224" order="S"/>
                  <bond atomRefs2="a222 a223" order="S"/>
                  <bond atomRefs2="a223 a225" order="S"/>
                  <bond atomRefs2="a224 a226" order="S"/>
                  <bond atomRefs2="a226 a227" order="S"/>
               </bondArray>
               <formula concise="CCu225O">
                  <atomArray count="1 225 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">14325.86010000004</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
