<?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 10:05:11) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">IFC91_ompi</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-04-06T22:01:19.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.0</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>
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                        id="a1"
                        x3="12.11025"
                        xFract="0.48441"
                        y3="12.47975"
                        yFract="0.49919"
                        z3="12.67275"
                        zFract="0.50691"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="14.6030"
                        xFract="0.58412"
                        y3="13.17775"
                        yFract="0.52711"
                        z3="12.6575"
                        zFract="0.5063"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="13.95675"
                        xFract="0.55827"
                        y3="10.67025"
                        yFract="0.42681"
                        z3="12.67475"
                        zFract="0.50699"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="13.16566525"
                        xFract="0.52662661"
                        y3="13.56021475"
                        yFract="0.54240859"
                        z3="14.76593925"
                        zFract="0.59063757"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="12.4975085"
                        xFract="0.49990034"
                        y3="11.05468"
                        yFract="0.4421872"
                        z3="14.80802375"
                        zFract="0.59232095"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.70525"
                        xFract="0.46821"
                        y3="13.91025"
                        yFract="0.55641"
                        z3="10.5535"
                        zFract="0.42214"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="12.75575"
                        xFract="0.51023"
                        y3="14.98875"
                        yFract="0.59955"
                        z3="12.65575"
                        zFract="0.50623"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.55175"
                        xFract="0.54207"
                        y3="12.1000"
                        yFract="0.4840"
                        z3="10.5540"
                        zFract="0.42216"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="11.05925"
                        xFract="0.44237"
                        y3="11.4015"
                        yFract="0.45606"
                        z3="10.5705"
                        zFract="0.42282"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.46525"
                        xFract="0.45861"
                        y3="9.97125"
                        yFract="0.39885"
                        z3="12.68825"
                        zFract="0.50753"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="14.18025"
                        xFract="0.56721"
                        y3="14.59075"
                        yFract="0.58363"
                        z3="10.5555"
                        zFract="0.42222"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="12.89925"
                        xFract="0.51597"
                        y3="9.6155"
                        yFract="0.38462"
                        z3="10.58825"
                        zFract="0.42353"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="14.98915075"
                        xFract="0.59956603"
                        y3="11.752013"
                        yFract="0.47008052"
                        z3="14.753375"
                        zFract="0.590135"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="16.4695"
                        xFract="0.65878"
                        y3="11.3605"
                        yFract="0.45442"
                        z3="12.63575"
                        zFract="0.50543"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="16.0700"
                        xFract="0.6428"
                        y3="12.7730"
                        yFract="0.51092"
                        z3="10.5410"
                        zFract="0.42164"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="15.43075"
                        xFract="0.61723"
                        y3="10.29675"
                        yFract="0.41187"
                        z3="10.5580"
                        zFract="0.42232"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.26325"
                        xFract="0.41053"
                        y3="14.28975"
                        yFract="0.57159"
                        z3="12.6720"
                        zFract="0.50688"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.6175"
                        xFract="0.3847"
                        y3="11.7820"
                        yFract="0.47128"
                        z3="12.6875"
                        zFract="0.5075"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="10.67633375"
                        xFract="0.42705335"
                        y3="12.839252"
                        yFract="0.51357008"
                        z3="14.80780125"
                        zFract="0.59231205"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="15.67093275"
                        xFract="0.62683731"
                        y3="14.290055"
                        yFract="0.5716022"
                        z3="14.755422"
                        zFract="0.59021688"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="15.2635"
                        xFract="0.61054"
                        y3="15.6995"
                        yFract="0.62798"
                        z3="12.6705"
                        zFract="0.50682"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="15.75825"
                        xFract="0.63033"
                        y3="8.90775"
                        yFract="0.35631"
                        z3="12.67825"
                        zFract="0.50713"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="14.368473"
                        xFract="0.57473892"
                        y3="9.206965"
                        yFract="0.3682786"
                        z3="14.775665"
                        zFract="0.5910266"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.32075"
                        xFract="0.53283"
                        y3="8.1430"
                        yFract="0.32572"
                        z3="12.7170"
                        zFract="0.50868"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.32020975"
                        xFract="0.45280839"
                        y3="15.346524"
                        yFract="0.61386096"
                        z3="14.74922425"
                        zFract="0.58996897"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="13.843783"
                        xFract="0.55375132"
                        y3="16.080312"
                        yFract="0.64321248"
                        z3="14.7532085"
                        zFract="0.59012834"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="16.76184125"
                        xFract="0.67047365"
                        y3="9.9889005"
                        yFract="0.39955602"
                        z3="14.7175865"
                        zFract="0.58870346"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.0537315"
                        xFract="0.40214926"
                        y3="10.38275175"
                        yFract="0.41531007"
                        z3="14.812652"
                        zFract="0.59250608"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="11.89631725"
                        xFract="0.47585269"
                        y3="8.51989"
                        yFract="0.3407956"
                        z3="14.79196725"
                        zFract="0.59167869"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="14.198466"
                        xFract="0.56793864"
                        y3="14.61664025"
                        yFract="0.58466561"
                        z3="16.8065545"
                        zFract="0.67226218"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="13.57867425"
                        xFract="0.54314697"
                        y3="12.13842125"
                        yFract="0.48553685"
                        z3="16.89246175"
                        zFract="0.67569847"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="11.73435025"
                        xFract="0.46937401"
                        y3="13.94616825"
                        yFract="0.55784673"
                        z3="16.89058525"
                        zFract="0.67562341"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="12.9427075"
                        xFract="0.5177083"
                        y3="9.634784"
                        yFract="0.38539136"
                        z3="16.81936075"
                        zFract="0.67277443"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="11.086717"
                        xFract="0.44346868"
                        y3="11.438871"
                        yFract="0.45755484"
                        z3="17.1204725"
                        zFract="0.6848189"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="17.02975"
                        xFract="0.68119"
                        y3="13.85375"
                        yFract="0.55415"
                        z3="12.6475"
                        zFract="0.5059"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.98706175"
                        xFract="0.63948247"
                        y3="12.8258395"
                        yFract="0.51303358"
                        z3="16.76867225"
                        zFract="0.67074689"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="17.38417275"
                        xFract="0.69536691"
                        y3="12.4454175"
                        yFract="0.4978167"
                        z3="14.70607"
                        zFract="0.5882428"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="9.23625"
                        xFract="0.36945"
                        y3="13.2060"
                        yFract="0.52824"
                        z3="10.58625"
                        zFract="0.42345"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.66925"
                        xFract="0.42677"
                        y3="12.8260"
                        yFract="0.51304"
                        z3="8.4240"
                        zFract="0.33696"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="13.1310"
                        xFract="0.52524"
                        y3="13.51575"
                        yFract="0.54063"
                        z3="8.4060"
                        zFract="0.33624"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="12.4930"
                        xFract="0.49972"
                        y3="11.0380"
                        yFract="0.44152"
                        z3="8.4240"
                        zFract="0.33696"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="14.95325"
                        xFract="0.59813"
                        y3="11.72725"
                        yFract="0.46909"
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                        id="a43"
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                        xFract="0.58784"
                        y3="7.89025"
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                  <atom elementType="Cu"
                        id="a44"
                        x3="14.29625"
                        xFract="0.57185"
                        y3="9.2885"
                        yFract="0.37154"
                        z3="8.5520"
                        zFract="0.34208"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="15.36165775"
                        xFract="0.61446631"
                        y3="10.36253275"
                        yFract="0.41450131"
                        z3="16.78247225"
                        zFract="0.67129889"/>
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                        id="a46"
                        x3="10.0335"
                        xFract="0.40134"
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                        z3="8.52125"
                        zFract="0.34085"/>
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                        id="a47"
                        x3="8.55775"
                        xFract="0.34231"
                        y3="10.6730"
                        yFract="0.42692"
                        z3="10.5820"
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                  <atom elementType="Cu"
                        id="a48"
                        x3="10.38125"
                        xFract="0.41525"
                        y3="8.88475"
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                        yFract="0.3704"
                        z3="12.67275"
                        zFract="0.50691"/>
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                        id="a50"
                        x3="10.83975"
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                        z3="12.7005"
                        zFract="0.50802"/>
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                        id="a51"
                        x3="11.8580"
                        xFract="0.47432"
                        y3="8.6060"
                        yFract="0.34424"
                        z3="8.56425"
                        zFract="0.34257"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="12.25825"
                        xFract="0.49033"
                        y3="7.2095"
                        yFract="0.28838"
                        z3="10.63575"
                        zFract="0.42543"/>
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                        id="a53"
                        x3="16.5850"
                        xFract="0.6634"
                        y3="15.2360"
                        yFract="0.60944"
                        z3="10.5795"
                        zFract="0.42318"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="15.5550"
                        xFract="0.6222"
                        y3="14.18125"
                        yFract="0.56725"
                        z3="8.5200"
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                        id="a55"
                        x3="12.37118275"
                        xFract="0.49484731"
                        y3="16.368934"
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                        z3="16.76467825"
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                        id="a56"
                        x3="9.8630"
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                        id="a57"
                        x3="11.3055"
                        xFract="0.45222"
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                        yFract="0.61202"
                        z3="8.49125"
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                        id="a58"
                        x3="12.32425"
                        xFract="0.49297"
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                        xFract="0.53529"
                        y3="17.42825"
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                        id="a61"
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                        id="a62"
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                        xFract="0.59103"
                        y3="17.0085"
                        yFract="0.68034"
                        z3="10.5770"
                        zFract="0.42308"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="8.46275"
                        xFract="0.33851"
                        y3="16.0530"
                        yFract="0.64212"
                        z3="12.66875"
                        zFract="0.50675"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="7.75125"
                        xFract="0.31005"
                        y3="13.5995"
                        yFract="0.54398"
                        z3="12.71125"
                        zFract="0.50845"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="8.78935825"
                        xFract="0.35157433"
                        y3="14.67249925"
                        yFract="0.58689997"
                        z3="14.769707"
                        zFract="0.59078828"/>
                  <atom elementType="Cu"
                        id="a66"
                        x3="7.1910"
                        xFract="0.28764"
                        y3="11.1070"
                        yFract="0.44428"
                        z3="12.69625"
                        zFract="0.50785"/>
                  <atom elementType="Cu"
                        id="a67"
                        x3="8.15387825"
                        xFract="0.32615513"
                        y3="12.186866"
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                  <atom elementType="Cu"
                        id="a68"
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                        xFract="0.36982279"
                        y3="13.25770225"
                        yFract="0.53030809"
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               <bondArray>
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                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
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                  <bond atomRefs2="a69 a70" order="S"/>
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                  <bond atomRefs2="a77 a78" order="S"/>
                  <bond atomRefs2="a80 a81" order="S"/>
               </bondArray>
               <formula concise="CCu79O">
                  <atomArray count="1 79 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5048.144099999999</scalar>
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            </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>
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               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
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               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.2000</scalar>
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               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
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               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">879.0000</scalar>
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               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
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               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
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               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.10</scalar>
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               <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>
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            <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>
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                  <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">79 1 1</array>
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         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-231.36177901</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-231.37402872</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-231.36586225</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.5214</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2035347E-05</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.0</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="12.11025"
                        xFract="0.48441"
                        y3="12.47975"
                        yFract="0.49919"
                        z3="12.67275"
                        zFract="0.50691"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="14.6030"
                        xFract="0.58412"
                        y3="13.17775"
                        yFract="0.52711"
                        z3="12.6575"
                        zFract="0.5063"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="13.95675"
                        xFract="0.55827"
                        y3="10.67025"
                        yFract="0.42681"
                        z3="12.67475"
                        zFract="0.50699"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="13.16624"
                        xFract="0.5266496"
                        y3="13.56085"
                        yFract="0.542434"
                        z3="14.76443"
                        zFract="0.5905772"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="12.4978"
                        xFract="0.499912"
                        y3="11.05493"
                        yFract="0.4421972"
                        z3="14.80576"
                        zFract="0.5922304"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.70525"
                        xFract="0.46821"
                        y3="13.91025"
                        yFract="0.55641"
                        z3="10.5535"
                        zFract="0.42214"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="12.75575"
                        xFract="0.51023"
                        y3="14.98875"
                        yFract="0.59955"
                        z3="12.65575"
                        zFract="0.50623"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.55175"
                        xFract="0.54207"
                        y3="12.1000"
                        yFract="0.4840"
                        z3="10.5540"
                        zFract="0.42216"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="11.05925"
                        xFract="0.44237"
                        y3="11.4015"
                        yFract="0.45606"
                        z3="10.5705"
                        zFract="0.42282"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.46525"
                        xFract="0.45861"
                        y3="9.97125"
                        yFract="0.39885"
                        z3="12.68825"
                        zFract="0.50753"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="14.18025"
                        xFract="0.56721"
                        y3="14.59075"
                        yFract="0.58363"
                        z3="10.5555"
                        zFract="0.42222"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="12.89925"
                        xFract="0.51597"
                        y3="9.6155"
                        yFract="0.38462"
                        z3="10.58825"
                        zFract="0.42353"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="14.99242"
                        xFract="0.5996968"
                        y3="11.75294"
                        yFract="0.4701176"
                        z3="14.7502"
                        zFract="0.590008"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="16.4695"
                        xFract="0.65878"
                        y3="11.3605"
                        yFract="0.45442"
                        z3="12.63575"
                        zFract="0.50543"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="16.0700"
                        xFract="0.6428"
                        y3="12.7730"
                        yFract="0.51092"
                        z3="10.5410"
                        zFract="0.42164"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="15.43075"
                        xFract="0.61723"
                        y3="10.29675"
                        yFract="0.41187"
                        z3="10.5580"
                        zFract="0.42232"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.26325"
                        xFract="0.41053"
                        y3="14.28975"
                        yFract="0.57159"
                        z3="12.6720"
                        zFract="0.50688"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.6175"
                        xFract="0.3847"
                        y3="11.7820"
                        yFract="0.47128"
                        z3="12.6875"
                        zFract="0.5075"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="10.67636"
                        xFract="0.4270544"
                        y3="12.84001"
                        yFract="0.5136004"
                        z3="14.80491"
                        zFract="0.5921964"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="15.67305"
                        xFract="0.626922"
                        y3="14.29174"
                        yFract="0.5716696"
                        z3="14.75402"
                        zFract="0.5901608"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="15.2635"
                        xFract="0.61054"
                        y3="15.6995"
                        yFract="0.62798"
                        z3="12.6705"
                        zFract="0.50682"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="15.75825"
                        xFract="0.63033"
                        y3="8.90775"
                        yFract="0.35631"
                        z3="12.67825"
                        zFract="0.50713"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="14.37117"
                        xFract="0.5748468"
                        y3="9.20686"
                        yFract="0.3682744"
                        z3="14.7751"
                        zFract="0.591004"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.32075"
                        xFract="0.53283"
                        y3="8.1430"
                        yFract="0.32572"
                        z3="12.7170"
                        zFract="0.50868"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.32102"
                        xFract="0.4528408"
                        y3="15.35014"
                        yFract="0.6140056"
                        z3="14.74653"
                        zFract="0.5898612"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="13.8453"
                        xFract="0.553812"
                        y3="16.08297"
                        yFract="0.6433188"
                        z3="14.75206"
                        zFract="0.5900824"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="16.76625"
                        xFract="0.67065"
                        y3="9.9881"
                        yFract="0.399524"
                        z3="14.71451"
                        zFract="0.5885804"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.05312"
                        xFract="0.4021248"
                        y3="10.38239"
                        yFract="0.4152956"
                        z3="14.81037"
                        zFract="0.5924148"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="11.89725"
                        xFract="0.47589"
                        y3="8.51949"
                        yFract="0.3407796"
                        z3="14.79247"
                        zFract="0.5916988"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="14.19897"
                        xFract="0.5679588"
                        y3="14.61702"
                        yFract="0.5846808"
                        z3="16.80364"
                        zFract="0.6721456"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="13.57973"
                        xFract="0.5431892"
                        y3="12.13806"
                        yFract="0.4855224"
                        z3="16.88786"
                        zFract="0.6755144"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="11.7342"
                        xFract="0.469368"
                        y3="13.94696"
                        yFract="0.5578784"
                        z3="16.88566"
                        zFract="0.6754264"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="12.94453"
                        xFract="0.5177812"
                        y3="9.63701"
                        yFract="0.3854804"
                        z3="16.81699"
                        zFract="0.6726796"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="11.08687"
                        xFract="0.4434748"
                        y3="11.43953"
                        yFract="0.4575812"
                        z3="17.10748"
                        zFract="0.6842992"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="17.02975"
                        xFract="0.68119"
                        y3="13.85375"
                        yFract="0.55415"
                        z3="12.6475"
                        zFract="0.5059"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.98818"
                        xFract="0.6395272"
                        y3="12.82754"
                        yFract="0.5131016"
                        z3="16.76535"
                        zFract="0.670614"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="17.38857"
                        xFract="0.6955428"
                        y3="12.4455"
                        yFract="0.49782"
                        z3="14.70465"
                        zFract="0.588186"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="9.23625"
                        xFract="0.36945"
                        y3="13.2060"
                        yFract="0.52824"
                        z3="10.58625"
                        zFract="0.42345"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.66925"
                        xFract="0.42677"
                        y3="12.8260"
                        yFract="0.51304"
                        z3="8.4240"
                        zFract="0.33696"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="13.1310"
                        xFract="0.52524"
                        y3="13.51575"
                        yFract="0.54063"
                        z3="8.4060"
                        zFract="0.33624"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="12.4930"
                        xFract="0.49972"
                        y3="11.0380"
                        yFract="0.44152"
                        z3="8.4240"
                        zFract="0.33696"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="14.95325"
                        xFract="0.59813"
                        y3="11.72725"
                        yFract="0.46909"
                        z3="8.4945"
                        zFract="0.33978"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="14.6960"
                        xFract="0.58784"
                        y3="7.89025"
                        yFract="0.31561"
                        z3="10.62525"
                        zFract="0.42501"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="14.29625"
                        xFract="0.57185"
                        y3="9.2885"
                        yFract="0.37154"
                        z3="8.5520"
                        zFract="0.34208"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="15.36598"
                        xFract="0.6146392"
                        y3="10.36416"
                        yFract="0.4145664"
                        z3="16.77793"
                        zFract="0.6711172"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="10.0335"
                        xFract="0.40134"
                        y3="10.35275"
                        yFract="0.41411"
                        z3="8.52125"
                        zFract="0.34085"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.55775"
                        xFract="0.34231"
                        y3="10.6730"
                        yFract="0.42692"
                        z3="10.5820"
                        zFract="0.42328"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="10.38125"
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                  <bond atomRefs2="a50 a74" order="S"/>
                  <bond atomRefs2="a50 a52" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a53 a62" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a70" order="S"/>
                  <bond atomRefs2="a55 a71" order="S"/>
                  <bond atomRefs2="a56 a63" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a79" order="S"/>
                  <bond atomRefs2="a56 a77" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a57 a79" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a58 a60" order="S"/>
                  <bond atomRefs2="a58 a61" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a70" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a59 a69" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a70" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a63 a65" order="S"/>
                  <bond atomRefs2="a63 a69" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a63 a77" order="S"/>
                  <bond atomRefs2="a64 a67" order="S"/>
                  <bond atomRefs2="a64 a65" order="S"/>
                  <bond atomRefs2="a64 a78" order="S"/>
                  <bond atomRefs2="a64 a77" order="S"/>
                  <bond atomRefs2="a64 a66" order="S"/>
                  <bond atomRefs2="a65 a67" order="S"/>
                  <bond atomRefs2="a65 a71" order="S"/>
                  <bond atomRefs2="a65 a69" order="S"/>
                  <bond atomRefs2="a65 a68" order="S"/>
                  <bond atomRefs2="a66 a67" order="S"/>
                  <bond atomRefs2="a66 a72" order="S"/>
                  <bond atomRefs2="a66 a78" order="S"/>
                  <bond atomRefs2="a67 a68" order="S"/>
                  <bond atomRefs2="a67 a75" order="S"/>
                  <bond atomRefs2="a67 a72" order="S"/>
                  <bond atomRefs2="a68 a71" order="S"/>
                  <bond atomRefs2="a68 a75" order="S"/>
                  <bond atomRefs2="a69 a70" order="S"/>
                  <bond atomRefs2="a69 a71" order="S"/>
                  <bond atomRefs2="a72 a74" order="S"/>
                  <bond atomRefs2="a72 a75" order="S"/>
                  <bond atomRefs2="a73 a74" order="S"/>
                  <bond atomRefs2="a73 a75" order="S"/>
                  <bond atomRefs2="a76 a79" order="S"/>
                  <bond atomRefs2="a76 a78" order="S"/>
                  <bond atomRefs2="a77 a79" order="S"/>
                  <bond atomRefs2="a77 a78" order="S"/>
                  <bond atomRefs2="a80 a81" order="S"/>
               </bondArray>
               <formula concise="CCu79O">
                  <atomArray count="1 79 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5048.144099999999</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
