<?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">2023-02-14T11:32:52.000</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>
                  <atom elementType="Cu"
                        id="a1"
                        x3="12.08925"
                        xFract="0.48357"
                        y3="12.4495"
                        yFract="0.49798"
                        z3="11.45675"
                        zFract="0.45827"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="12.09025"
                        xFract="0.48361"
                        y3="12.4495"
                        yFract="0.49798"
                        z3="14.06225"
                        zFract="0.56249"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="9.8760"
                        xFract="0.39504"
                        y3="12.4495"
                        yFract="0.49798"
                        z3="12.73425"
                        zFract="0.50937"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.40525"
                        xFract="0.45621"
                        y3="14.5545"
                        yFract="0.58218"
                        z3="12.7345"
                        zFract="0.50938"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.88075"
                        xFract="0.55523"
                        y3="13.7505"
                        yFract="0.55002"
                        z3="12.7340"
                        zFract="0.50936"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="13.8805"
                        xFract="0.55522"
                        y3="11.14825"
                        yFract="0.44593"
                        z3="12.73425"
                        zFract="0.50937"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.4050"
                        xFract="0.4562"
                        y3="10.34425"
                        yFract="0.41377"
                        z3="12.73425"
                        zFract="0.50937"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.0900"
                        xFract="0.4836"
                        y3="12.4495"
                        yFract="0.49798"
                        z3="8.85225"
                        zFract="0.35409"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.87525"
                        xFract="0.39501"
                        y3="12.44975"
                        yFract="0.49799"
                        z3="10.1805"
                        zFract="0.40722"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.4050"
                        xFract="0.4562"
                        y3="14.55475"
                        yFract="0.58219"
                        z3="10.1805"
                        zFract="0.40722"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.8805"
                        xFract="0.55522"
                        y3="13.7505"
                        yFract="0.55002"
                        z3="10.18025"
                        zFract="0.40721"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.8805"
                        xFract="0.55522"
                        y3="11.14775"
                        yFract="0.44591"
                        z3="10.1805"
                        zFract="0.40722"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.40475"
                        xFract="0.45619"
                        y3="10.3440"
                        yFract="0.41376"
                        z3="10.1805"
                        zFract="0.40722"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="12.0900"
                        xFract="0.4836"
                        y3="12.4495"
                        yFract="0.49798"
                        z3="16.52925"
                        zFract="0.66117"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.88275"
                        xFract="0.39531"
                        y3="12.44975"
                        yFract="0.49799"
                        z3="15.3410"
                        zFract="0.61364"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.40725"
                        xFract="0.45629"
                        y3="14.54775"
                        yFract="0.58191"
                        z3="15.34075"
                        zFract="0.61363"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="13.8750"
                        xFract="0.5550"
                        y3="13.74675"
                        yFract="0.54987"
                        z3="15.3405"
                        zFract="0.61362"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.8750"
                        xFract="0.5550"
                        y3="11.15275"
                        yFract="0.44611"
                        z3="15.34025"
                        zFract="0.61361"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="11.40725"
                        xFract="0.45629"
                        y3="10.35125"
                        yFract="0.41405"
                        z3="15.34025"
                        zFract="0.61361"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.22325"
                        xFract="0.36893"
                        y3="10.36725"
                        yFract="0.41469"
                        z3="14.0410"
                        zFract="0.56164"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.7970"
                        xFract="0.31188"
                        y3="12.4495"
                        yFract="0.49798"
                        z3="13.94675"
                        zFract="0.55787"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.22325"
                        xFract="0.36893"
                        y3="14.5315"
                        yFract="0.58126"
                        z3="14.0410"
                        zFract="0.56164"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="10.76175"
                        xFract="0.43047"
                        y3="16.53225"
                        yFract="0.66129"
                        z3="13.9480"
                        zFract="0.55792"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.1835"
                        xFract="0.52734"
                        y3="15.81875"
                        yFract="0.63275"
                        z3="14.04125"
                        zFract="0.56165"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.5630"
                        xFract="0.62252"
                        y3="14.9735"
                        yFract="0.59894"
                        z3="13.94725"
                        zFract="0.55789"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="15.63275"
                        xFract="0.62531"
                        y3="12.4505"
                        yFract="0.49802"
                        z3="14.04125"
                        zFract="0.56165"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="15.5640"
                        xFract="0.62256"
                        y3="9.9275"
                        yFract="0.3971"
                        z3="13.9475"
                        zFract="0.5579"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="13.1840"
                        xFract="0.52736"
                        y3="9.07975"
                        yFract="0.36319"
                        z3="14.04075"
                        zFract="0.56163"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="10.76225"
                        xFract="0.43049"
                        y3="8.36625"
                        yFract="0.33465"
                        z3="13.94725"
                        zFract="0.55789"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.1455"
                        xFract="0.36582"
                        y3="10.31075"
                        yFract="0.41243"
                        z3="11.4570"
                        zFract="0.45828"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.72975"
                        xFract="0.30919"
                        y3="12.4495"
                        yFract="0.49798"
                        z3="11.45675"
                        zFract="0.45827"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.14575"
                        xFract="0.36583"
                        y3="14.58825"
                        yFract="0.58353"
                        z3="11.45725"
                        zFract="0.45829"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.74375"
                        xFract="0.42975"
                        y3="16.59475"
                        yFract="0.66379"
                        z3="11.45775"
                        zFract="0.45831"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="13.21475"
                        xFract="0.52859"
                        y3="15.90925"
                        yFract="0.63637"
                        z3="11.4580"
                        zFract="0.45832"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="15.6170"
                        xFract="0.62468"
                        y3="15.0100"
                        yFract="0.6004"
                        z3="11.45725"
                        zFract="0.45829"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.7285"
                        xFract="0.62914"
                        y3="12.4480"
                        yFract="0.49792"
                        z3="11.4575"
                        zFract="0.4583"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="15.6150"
                        xFract="0.6246"
                        y3="9.88525"
                        yFract="0.39541"
                        z3="11.4575"
                        zFract="0.4583"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="13.21325"
                        xFract="0.52853"
                        y3="8.9880"
                        yFract="0.35952"
                        z3="11.4580"
                        zFract="0.45832"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.7430"
                        xFract="0.42972"
                        y3="8.3035"
                        yFract="0.33214"
                        z3="11.4575"
                        zFract="0.4583"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="12.08925"
                        xFract="0.48357"
                        y3="12.4495"
                        yFract="0.49798"
                        z3="6.3855"
                        zFract="0.25542"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="9.8825"
                        xFract="0.3953"
                        y3="12.44975"
                        yFract="0.49799"
                        z3="7.57375"
                        zFract="0.30295"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="11.4070"
                        xFract="0.45628"
                        y3="14.54775"
                        yFract="0.58191"
                        z3="7.5735"
                        zFract="0.30294"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="13.87475"
                        xFract="0.55499"
                        y3="13.74675"
                        yFract="0.54987"
                        z3="7.57325"
                        zFract="0.30293"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="13.87475"
                        xFract="0.55499"
                        y3="11.15275"
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                  <atom elementType="Cu"
                        id="a45"
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                        xFract="0.45629"
                        y3="10.35125"
                        yFract="0.41405"
                        z3="7.5735"
                        zFract="0.30294"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.2230"
                        xFract="0.36892"
                        y3="10.3670"
                        yFract="0.41468"
                        z3="8.87375"
                        zFract="0.35495"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.7965"
                        xFract="0.31186"
                        y3="12.4495"
                        yFract="0.49798"
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                        xFract="0.36892"
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                        zFract="0.35496"/>
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                        x3="10.7615"
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                        zFract="0.3587"/>
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                        yFract="0.59894"
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                  <atom elementType="Cu"
                        id="a53"
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                        y3="9.9270"
                        yFract="0.39708"
                        z3="8.96725"
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                  <atom elementType="Cu"
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                  <atom elementType="Cu"
                        id="a55"
                        x3="10.76175"
                        xFract="0.43047"
                        y3="8.36675"
                        yFract="0.33467"
                        z3="8.9670"
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                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
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                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
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               </bondArray>
               <formula concise="C2H2Cu55O2">
                  <atomArray count="2 2 55 2" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3551.050199999997</scalar>
               </property>
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            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
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               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</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>
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               <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>
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                  <scalar dataType="xsd:double">627.0000</scalar>
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               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
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               <parameter dictRef="v:ismear">
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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>
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               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">RP</scalar>
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                  <scalar dataType="xsd:string">9</scalar>
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               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
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               <parameter dictRef="v:lhfcalc">
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               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
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                  <array dataType="xsd:string"
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                         size="4">PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Cu C O H</array>
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                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
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                          dataType="xsd:double"
                          dictRef="cc:force"
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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">-182.93120359</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-182.92736540</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-182.92992420</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.5066</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.8754912E-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="12.09949"
                        xFract="0.4839796"
                        y3="12.45953"
                        yFract="0.4983812"
                        z3="11.44297"
                        zFract="0.4577188"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="12.08057"
                        xFract="0.4832228"
                        y3="12.38946"
                        yFract="0.4955784"
                        z3="14.13214"
                        zFract="0.5652856"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="9.89621"
                        xFract="0.3958484"
                        y3="12.45996"
                        yFract="0.4983984"
                        z3="12.74411"
                        zFract="0.5097644"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.42226"
                        xFract="0.4568904"
                        y3="14.53988"
                        yFract="0.5815952"
                        z3="12.74598"
                        zFract="0.5098392"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.87305"
                        xFract="0.554922"
                        y3="13.74027"
                        yFract="0.5496108"
                        z3="12.74363"
                        zFract="0.5097452"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="13.87825"
                        xFract="0.55513"
                        y3="11.15732"
                        yFract="0.4462928"
                        z3="12.74332"
                        zFract="0.5097328"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.41643"
                        xFract="0.4566572"
                        y3="10.3718"
                        yFract="0.414872"
                        z3="12.76437"
                        zFract="0.5105748"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.0942"
                        xFract="0.483768"
                        y3="12.45031"
                        yFract="0.4980124"
                        z3="8.81608"
                        zFract="0.3526432"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.88951"
                        xFract="0.3955804"
                        y3="12.45585"
                        yFract="0.498234"
                        z3="10.15603"
                        zFract="0.4062412"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.41525"
                        xFract="0.45661"
                        y3="14.55541"
                        yFract="0.5822164"
                        z3="10.14966"
                        zFract="0.4059864"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.88261"
                        xFract="0.5553044"
                        y3="13.7525"
                        yFract="0.5501"
                        z3="10.14662"
                        zFract="0.4058648"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.88033"
                        xFract="0.5552132"
                        y3="11.15556"
                        yFract="0.4462224"
                        z3="10.15242"
                        zFract="0.4060968"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.41258"
                        xFract="0.4565032"
                        y3="10.35938"
                        yFract="0.4143752"
                        z3="10.16378"
                        zFract="0.4065512"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="12.09188"
                        xFract="0.4836752"
                        y3="12.46342"
                        yFract="0.4985368"
                        z3="16.70049"
                        zFract="0.6680196"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.9088"
                        xFract="0.396352"
                        y3="12.47205"
                        yFract="0.498882"
                        z3="15.33899"
                        zFract="0.6135596"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.42572"
                        xFract="0.4570288"
                        y3="14.52368"
                        yFract="0.5809472"
                        z3="15.34424"
                        zFract="0.6137696"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="13.85915"
                        xFract="0.554366"
                        y3="13.72991"
                        yFract="0.5491964"
                        z3="15.34303"
                        zFract="0.6137212"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.8715"
                        xFract="0.55486"
                        y3="11.17274"
                        yFract="0.4469096"
                        z3="15.34591"
                        zFract="0.6138364"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="11.38092"
                        xFract="0.4552368"
                        y3="10.28754"
                        yFract="0.4115016"
                        z3="15.55275"
                        zFract="0.62211"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.26249"
                        xFract="0.3704996"
                        y3="10.40839"
                        yFract="0.4163356"
                        z3="14.05835"
                        zFract="0.562334"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.80762"
                        xFract="0.3123048"
                        y3="12.47407"
                        yFract="0.4989628"
                        z3="13.96672"
                        zFract="0.5586688"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.24311"
                        xFract="0.3697244"
                        y3="14.54084"
                        yFract="0.5816336"
                        z3="14.05857"
                        zFract="0.5623428"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="10.77886"
                        xFract="0.4311544"
                        y3="16.53367"
                        yFract="0.6613468"
                        z3="13.95661"
                        zFract="0.5582644"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.18706"
                        xFract="0.5274824"
                        y3="15.79424"
                        yFract="0.6317696"
                        z3="14.06818"
                        zFract="0.5627272"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.56887"
                        xFract="0.6227548"
                        y3="14.96764"
                        yFract="0.5987056"
                        z3="13.95309"
                        zFract="0.5581236"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="15.62659"
                        xFract="0.6250636"
                        y3="12.45276"
                        yFract="0.4981104"
                        z3="14.05879"
                        zFract="0.5623516"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="15.57177"
                        xFract="0.6228708"
                        y3="9.93709"
                        yFract="0.3974836"
                        z3="13.96534"
                        zFract="0.5586136"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="13.17342"
                        xFract="0.5269368"
                        y3="9.13091"
                        yFract="0.3652364"
                        z3="14.06008"
                        zFract="0.5624032"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="10.76257"
                        xFract="0.4305028"
                        y3="8.39204"
                        yFract="0.3356816"
                        z3="14.00452"
                        zFract="0.5601808"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.20039"
                        xFract="0.3680156"
                        y3="10.35969"
                        yFract="0.4143876"
                        z3="11.45061"
                        zFract="0.4580244"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.73882"
                        xFract="0.3095528"
                        y3="12.46444"
                        yFract="0.4985776"
                        z3="11.44836"
                        zFract="0.4579344"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.19898"
                        xFract="0.3679592"
                        y3="14.5622"
                        yFract="0.582488"
                        z3="11.44745"
                        zFract="0.457898"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.74963"
                        xFract="0.4299852"
                        y3="16.59276"
                        yFract="0.6637104"
                        z3="11.44769"
                        zFract="0.4579076"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="13.20633"
                        xFract="0.5282532"
                        y3="15.85418"
                        yFract="0.6341672"
                        z3="11.45323"
                        zFract="0.4581292"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="15.62638"
                        xFract="0.6250552"
                        y3="15.00065"
                        yFract="0.600026"
                        z3="11.44333"
                        zFract="0.4577332"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.67601"
                        xFract="0.6270404"
                        y3="12.44682"
                        yFract="0.4978728"
                        z3="11.44202"
                        zFract="0.4576808"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="15.61831"
                        xFract="0.6247324"
                        y3="9.88969"
                        yFract="0.3955876"
                        z3="11.44335"
                        zFract="0.457734"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="13.19756"
                        xFract="0.5279024"
                        y3="9.05611"
                        yFract="0.3622444"
                        z3="11.44921"
                        zFract="0.4579684"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.74958"
                        xFract="0.4299832"
                        y3="8.32897"
                        yFract="0.3331588"
                        z3="11.48539"
                        zFract="0.4594156"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="12.08872"
                        xFract="0.4835488"
                        y3="12.44302"
                        yFract="0.4977208"
                        z3="6.3451"
                        zFract="0.253804"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="9.88251"
                        xFract="0.3953004"
                        y3="12.44747"
                        yFract="0.4978988"
                        z3="7.52366"
                        zFract="0.3009464"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="11.40556"
                        xFract="0.4562224"
                        y3="14.53764"
                        yFract="0.5815056"
                        z3="7.54189"
                        zFract="0.3016756"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="13.87428"
                        xFract="0.5549712"
                        y3="13.73576"
                        yFract="0.5494304"
                        z3="7.53906"
                        zFract="0.3015624"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="13.87803"
                        xFract="0.5551212"
                        y3="11.14768"
                        yFract="0.4459072"
                        z3="7.52167"
                        zFract="0.3008668"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="11.40689"
                        xFract="0.4562756"
                        y3="10.34455"
                        yFract="0.413782"
                        z3="7.53243"
                        zFract="0.3012972"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.24949"
                        xFract="0.3699796"
                        y3="10.38335"
                        yFract="0.415334"
                        z3="8.83243"
                        zFract="0.3532972"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.80624"
                        xFract="0.3122496"
                        y3="12.4499"
                        yFract="0.497996"
                        z3="8.93327"
                        zFract="0.3573308"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="9.24331"
                        xFract="0.3697324"
                        y3="14.51984"
                        yFract="0.5807936"
                        z3="8.82277"
                        zFract="0.3529108"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.75764"
                        xFract="0.4303056"
                        y3="16.53596"
                        yFract="0.6614384"
                        z3="8.92237"
                        zFract="0.3568948"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="13.18106"
                        xFract="0.5272424"
                        y3="15.79558"
                        yFract="0.6318232"
                        z3="8.83165"
                        zFract="0.353266"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="15.5767"
                        xFract="0.623068"
                        y3="14.96832"
                        yFract="0.5987328"
                        z3="8.91769"
                        zFract="0.3567076"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="15.6153"
                        xFract="0.624612"
                        y3="12.44845"
                        yFract="0.497938"
                        z3="8.81547"
                        zFract="0.3526188"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="15.56416"
                        xFract="0.6225664"
                        y3="9.93073"
                        yFract="0.3972292"
                        z3="8.92555"
                        zFract="0.357022"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="13.17783"
                        xFract="0.5271132"
                        y3="9.10574"
                        yFract="0.3642296"
                        z3="8.83144"
                        zFract="0.3532576"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="10.76717"
                        xFract="0.4306868"
                        y3="8.37036"
                        yFract="0.3348144"
                        z3="8.95518"
                        zFract="0.3582072"/>
                  <atom elementType="C"
                        id="a56"
                        x3="12.0966"
                        xFract="0.483864"
                        y3="12.54685"
                        yFract="0.501874"
                        z3="18.66114"
                        zFract="0.7464456"/>
                  <atom elementType="C"
                        id="a57"
                        x3="10.97043"
                        xFract="0.4388172"
                        y3="9.20251"
                        yFract="0.3681004"
                        z3="17.15802"
                        zFract="0.6863208"/>
                  <atom elementType="O"
                        id="a58"
                        x3="11.73364"
                        xFract="0.4693456"
                        y3="8.45787"
                        yFract="0.3383148"
                        z3="17.74579"
                        zFract="0.7098316"/>
                  <atom elementType="O"
                        id="a59"
                        x3="13.06748"
                        xFract="0.5226992"
                        y3="12.3532"
                        yFract="0.494128"
                        z3="19.37465"
                        zFract="0.774986"/>
                  <atom elementType="H"
                        id="a60"
                        x3="9.94471"
                        xFract="0.3977884"
                        y3="9.38239"
                        yFract="0.3752956"
                        z3="17.59116"
                        zFract="0.7036464"/>
                  <atom elementType="H"
                        id="a61"
                        x3="11.10691"
                        xFract="0.4442764"
                        y3="12.77536"
                        yFract="0.5110144"
                        z3="19.16346"
                        zFract="0.7665384"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a1 a12" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a7" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a19" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a31" order="S"/>
                  <bond atomRefs2="a3 a32" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a3 a30" order="S"/>
                  <bond atomRefs2="a3 a20" order="S"/>
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                  <bond atomRefs2="a13 a55" order="S"/>
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                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a56" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a16 a23" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a24" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a24" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a28" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a57" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
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                  <bond atomRefs2="a20 a30" order="S"/>
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                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a34" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a27 a37" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a38" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a30 a39" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a51" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a36 a52" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a53" order="S"/>
                  <bond atomRefs2="a38 a54" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a55" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a41 a47" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a48" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a49" order="S"/>
                  <bond atomRefs2="a42 a48" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a50" order="S"/>
                  <bond atomRefs2="a43 a51" order="S"/>
                  <bond atomRefs2="a43 a50" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a52" order="S"/>
                  <bond atomRefs2="a44 a54" order="S"/>
                  <bond atomRefs2="a44 a53" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a55" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a54" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a55" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a60" order="S"/>
               </bondArray>
               <formula concise="C2H2Cu55O2">
                  <atomArray count="2 2 55 2" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3551.050199999997</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
