<?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">2023-02-13T09:21:56.000</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="12.09724275"
                        xFract="0.48388971"
                        y3="12.46457375"
                        yFract="0.49858295"
                        z3="11.4535195"
                        zFract="0.45814078"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="12.09588775"
                        xFract="0.48383551"
                        y3="12.46227025"
                        yFract="0.49849081"
                        z3="14.06335475"
                        zFract="0.56253419"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="9.898888"
                        xFract="0.39595552"
                        y3="12.463462"
                        yFract="0.49853848"
                        z3="12.740171"
                        zFract="0.50960684"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.41702825"
                        xFract="0.45668113"
                        y3="14.57245925"
                        yFract="0.58289837"
                        z3="12.74340075"
                        zFract="0.50973603"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.88325625"
                        xFract="0.55533025"
                        y3="13.77653575"
                        yFract="0.55106143"
                        z3="12.744884"
                        zFract="0.50979536"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="13.882068"
                        xFract="0.55528272"
                        y3="11.18264025"
                        yFract="0.44730561"
                        z3="12.74313575"
                        zFract="0.50972543"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.39538475"
                        xFract="0.45581539"
                        y3="10.283061"
                        yFract="0.41132244"
                        z3="12.7390575"
                        zFract="0.5095623"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.09713725"
                        xFract="0.48388549"
                        y3="12.46856475"
                        yFract="0.49874259"
                        z3="8.8369915"
                        zFract="0.35347966"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.8969555"
                        xFract="0.39587822"
                        y3="12.4760815"
                        yFract="0.49904326"
                        z3="10.16451175"
                        zFract="0.40658047"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.42248625"
                        xFract="0.45689945"
                        y3="14.581295"
                        yFract="0.5832518"
                        z3="10.16027675"
                        zFract="0.40641107"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.8823155"
                        xFract="0.55529262"
                        y3="13.78161175"
                        yFract="0.55126447"
                        z3="10.160915"
                        zFract="0.4064366"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.8831385"
                        xFract="0.55532554"
                        y3="11.182996"
                        yFract="0.44731984"
                        z3="10.16275525"
                        zFract="0.40651021"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.4060475"
                        xFract="0.4562419"
                        y3="10.334451"
                        yFract="0.41337804"
                        z3="10.18733175"
                        zFract="0.40749327"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="12.09242"
                        xFract="0.4836968"
                        y3="12.44756675"
                        yFract="0.49790267"
                        z3="16.5394325"
                        zFract="0.6615773"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.89585325"
                        xFract="0.39583413"
                        y3="12.46517825"
                        yFract="0.49860713"
                        z3="15.36704125"
                        zFract="0.61468165"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.42723925"
                        xFract="0.45708957"
                        y3="14.569948"
                        yFract="0.58279792"
                        z3="15.38241575"
                        zFract="0.61529663"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="13.87654975"
                        xFract="0.55506199"
                        y3="13.77618025"
                        yFract="0.55104721"
                        z3="15.379678"
                        zFract="0.61518712"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.882659"
                        xFract="0.55530636"
                        y3="11.1787185"
                        yFract="0.44714874"
                        z3="15.3665365"
                        zFract="0.61466146"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="11.4157465"
                        xFract="0.45662986"
                        y3="10.3608005"
                        yFract="0.41443202"
                        z3="15.3146665"
                        zFract="0.61258666"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.26829025"
                        xFract="0.37073161"
                        y3="10.39155525"
                        yFract="0.41566221"
                        z3="14.04513225"
                        zFract="0.56180529"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.818453"
                        xFract="0.31273812"
                        y3="12.46294625"
                        yFract="0.49851785"
                        z3="13.96620325"
                        zFract="0.55864813"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.26263725"
                        xFract="0.37050549"
                        y3="14.53716425"
                        yFract="0.58148657"
                        z3="14.0760525"
                        zFract="0.5630421"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="10.77995725"
                        xFract="0.43119829"
                        y3="16.55314075"
                        yFract="0.66212563"
                        z3="13.96483025"
                        zFract="0.55859321"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.188138"
                        xFract="0.52752552"
                        y3="15.82927875"
                        yFract="0.63317115"
                        z3="14.06515525"
                        zFract="0.56260621"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.5634935"
                        xFract="0.62253974"
                        y3="15.00699925"
                        yFract="0.60027997"
                        z3="13.96299475"
                        zFract="0.55851979"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="15.615482"
                        xFract="0.62461928"
                        y3="12.483005"
                        yFract="0.4993202"
                        z3="14.07403275"
                        zFract="0.56296131"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="15.5630595"
                        xFract="0.62252238"
                        y3="9.95517875"
                        yFract="0.39820715"
                        z3="13.96473725"
                        zFract="0.55858949"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="13.180105"
                        xFract="0.5272042"
                        y3="9.12977425"
                        yFract="0.36519097"
                        z3="14.05190325"
                        zFract="0.56207613"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="10.7446395"
                        xFract="0.42978558"
                        y3="8.272986"
                        yFract="0.33091944"
                        z3="13.99100575"
                        zFract="0.55964023"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.2297355"
                        xFract="0.36918942"
                        y3="10.3287605"
                        yFract="0.41315042"
                        z3="11.44554925"
                        zFract="0.45782197"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.75668125"
                        xFract="0.31026725"
                        y3="12.4351915"
                        yFract="0.49740766"
                        z3="11.45508475"
                        zFract="0.45820339"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.19221175"
                        xFract="0.36768847"
                        y3="14.578817"
                        yFract="0.58315268"
                        z3="11.45256325"
                        zFract="0.45810253"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.75570125"
                        xFract="0.43022805"
                        y3="16.61779125"
                        yFract="0.66471165"
                        z3="11.45427375"
                        zFract="0.45817095"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="13.20377225"
                        xFract="0.52815089"
                        y3="15.88708425"
                        yFract="0.63548337"
                        z3="11.4582805"
                        zFract="0.45833122"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="15.61401375"
                        xFract="0.62456055"
                        y3="15.048575"
                        yFract="0.601943"
                        z3="11.454526"
                        zFract="0.45818104"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.688505"
                        xFract="0.6275402"
                        y3="12.48531775"
                        yFract="0.49941271"
                        z3="11.45105725"
                        zFract="0.45804229"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="15.62067325"
                        xFract="0.62482693"
                        y3="9.9223555"
                        yFract="0.39689422"
                        z3="11.45456225"
                        zFract="0.45818249"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="13.206113"
                        xFract="0.52824452"
                        y3="9.07093125"
                        yFract="0.36283725"
                        z3="11.44930425"
                        zFract="0.45797217"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.756902"
                        xFract="0.43027608"
                        y3="8.2101415"
                        yFract="0.32840566"
                        z3="11.420443"
                        zFract="0.45681772"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="12.10027525"
                        xFract="0.48401101"
                        y3="12.4872875"
                        yFract="0.4994915"
                        z3="6.35475425"
                        zFract="0.25419017"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="9.89609575"
                        xFract="0.39584383"
                        y3="12.4923695"
                        yFract="0.49969478"
                        z3="7.53593825"
                        zFract="0.30143753"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="11.4254785"
                        xFract="0.45701914"
                        y3="14.58419"
                        yFract="0.5833676"
                        z3="7.5320545"
                        zFract="0.30128218"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="13.88301225"
                        xFract="0.55532049"
                        y3="13.78089175"
                        yFract="0.55123567"
                        z3="7.53098375"
                        zFract="0.30123935"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="13.88408025"
                        xFract="0.55536321"
                        y3="11.1882985"
                        yFract="0.44753194"
                        z3="7.532582"
                        zFract="0.30130328"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="11.41865875"
                        xFract="0.45674635"
                        y3="10.39995325"
                        yFract="0.41599813"
                        z3="7.529975"
                        zFract="0.301199"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.254829"
                        xFract="0.37019316"
                        y3="10.425814"
                        yFract="0.41703256"
                        z3="8.83955325"
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                  <atom elementType="Cu"
                        id="a47"
                        x3="7.81488425"
                        xFract="0.31259537"
                        y3="12.49826325"
                        yFract="0.49993053"
                        z3="8.94942325"
                        zFract="0.35797693"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="9.25821825"
                        xFract="0.37032873"
                        y3="14.55904875"
                        yFract="0.58236195"
                        z3="8.8348795"
                        zFract="0.35339518"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.78173225"
                        xFract="0.43126929"
                        y3="16.56539025"
                        yFract="0.66261561"
                        z3="8.94152175"
                        zFract="0.35766087"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="13.190032"
                        xFract="0.52760128"
                        y3="15.82606125"
                        yFract="0.63304245"
                        z3="8.84465225"
                        zFract="0.35378609"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="15.57358975"
                        xFract="0.62294359"
                        y3="14.99872825"
                        yFract="0.59994913"
                        z3="8.94144925"
                        zFract="0.35765797"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="15.61767"
                        xFract="0.6247068"
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                        yFract="0.4992262"
                        z3="8.83219575"
                        zFract="0.35328783"/>
                  <atom elementType="Cu"
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                        x3="15.56560125"
                        xFract="0.62262405"
                        y3="9.95903675"
                        yFract="0.39836147"
                        z3="8.9462955"
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                  <atom elementType="Cu"
                        id="a54"
                        x3="13.177668"
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                        y3="9.1436515"
                        yFract="0.36574606"
                        z3="8.835836"
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                  <atom elementType="Cu"
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                        x3="10.7603965"
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                        yFract="0.2130189"
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                        yFract="0.17270239"
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                  <bond atomRefs2="a46 a47" order="S"/>
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                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
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                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
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                  <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>
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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">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>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.2000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
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               <parameter dictRef="v:nelect">
                  <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">
                  <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>
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               <parameter dictRef="v:lexch">
                  <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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                         size="4">PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
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         <module dictRef="cc:calculation" id="calculation">
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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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-0.006709 0.001809 0.000799 -0.003572 0.017888 0.004256</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-184.93852168</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-184.92584982</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-184.93429772</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.6706</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2409061E-04</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="12.10846"
                        xFract="0.4843384"
                        y3="12.46204"
                        yFract="0.4984816"
                        z3="11.44291"
                        zFract="0.4577164"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="12.09948"
                        xFract="0.4839792"
                        y3="12.42226"
                        yFract="0.4968904"
                        z3="14.05232"
                        zFract="0.5620928"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="9.9054"
                        xFract="0.396216"
                        y3="12.42933"
                        yFract="0.4971732"
                        z3="12.7188"
                        zFract="0.508752"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.40728"
                        xFract="0.4562912"
                        y3="14.54331"
                        yFract="0.5817324"
                        z3="12.76147"
                        zFract="0.5104588"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.88148"
                        xFract="0.5552592"
                        y3="13.76225"
                        yFract="0.55049"
                        z3="12.75847"
                        zFract="0.5103388"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="13.89279"
                        xFract="0.5557116"
                        y3="11.16757"
                        yFract="0.4467028"
                        z3="12.71434"
                        zFract="0.5085736"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.41021"
                        xFract="0.4564084"
                        y3="10.25891"
                        yFract="0.4103564"
                        z3="12.6980"
                        zFract="0.50792"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.11901"
                        xFract="0.4847604"
                        y3="12.51095"
                        yFract="0.500438"
                        z3="8.82754"
                        zFract="0.3531016"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.91667"
                        xFract="0.3966668"
                        y3="12.49235"
                        yFract="0.499694"
                        z3="10.14651"
                        zFract="0.4058604"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.43707"
                        xFract="0.4574828"
                        y3="14.59881"
                        yFract="0.5839524"
                        z3="10.18332"
                        zFract="0.4073328"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.8975"
                        xFract="0.5559"
                        y3="13.80344"
                        yFract="0.5521376"
                        z3="10.18013"
                        zFract="0.4072052"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.90185"
                        xFract="0.556074"
                        y3="11.20566"
                        yFract="0.4482264"
                        z3="10.1366"
                        zFract="0.405464"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.4270"
                        xFract="0.45708"
                        y3="10.34833"
                        yFract="0.4139332"
                        z3="10.15142"
                        zFract="0.4060568"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="12.08506"
                        xFract="0.4834024"
                        y3="12.37358"
                        yFract="0.4949432"
                        z3="16.52823"
                        zFract="0.6611292"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.89117"
                        xFract="0.3956468"
                        y3="12.40711"
                        yFract="0.4962844"
                        z3="15.34225"
                        zFract="0.61369"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.42081"
                        xFract="0.4568324"
                        y3="14.50751"
                        yFract="0.5803004"
                        z3="15.39679"
                        zFract="0.6158716"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="13.8732"
                        xFract="0.554928"
                        y3="13.71328"
                        yFract="0.5485312"
                        z3="15.39337"
                        zFract="0.6157348"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.8817"
                        xFract="0.555268"
                        y3="11.11844"
                        yFract="0.4447376"
                        z3="15.34022"
                        zFract="0.6136088"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="11.41446"
                        xFract="0.4565784"
                        y3="10.31137"
                        yFract="0.4124548"
                        z3="15.27324"
                        zFract="0.6109296"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.26541"
                        xFract="0.3706164"
                        y3="10.35258"
                        yFract="0.4141032"
                        z3="13.98811"
                        zFract="0.5595244"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.81834"
                        xFract="0.3127336"
                        y3="12.42978"
                        yFract="0.4971912"
                        z3="13.93235"
                        zFract="0.557294"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.25906"
                        xFract="0.3703624"
                        y3="14.4979"
                        yFract="0.579916"
                        z3="14.0859"
                        zFract="0.563436"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="10.78178"
                        xFract="0.4312712"
                        y3="16.51181"
                        yFract="0.6604724"
                        z3="14.00762"
                        zFract="0.5603048"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.18524"
                        xFract="0.5274096"
                        y3="15.78166"
                        yFract="0.6312664"
                        z3="14.1116"
                        zFract="0.564464"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.56438"
                        xFract="0.6225752"
                        y3="14.96392"
                        yFract="0.5985568"
                        z3="14.00178"
                        zFract="0.5600712"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="15.61554"
                        xFract="0.6246216"
                        y3="12.44366"
                        yFract="0.4977464"
                        z3="14.07392"
                        zFract="0.5629568"/>
                  <atom elementType="Cu"
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                        x3="15.56942"
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                        y3="9.92028"
                        yFract="0.3968112"
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                        y3="8.24976"
                        yFract="0.3299904"
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                        yFract="0.4116052"
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                  <bond atomRefs2="a40 a41" order="S"/>
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                  <bond atomRefs2="a41 a42" order="S"/>
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                  <bond atomRefs2="a43 a51" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a52" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a53" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a44 a54" order="S"/>
                  <bond atomRefs2="a45 a54" order="S"/>
                  <bond atomRefs2="a45 a55" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a55" order="S"/>
                  <bond atomRefs2="a46 a47" 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="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a58 a60" order="S"/>
                  <bond atomRefs2="a59 a61" 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>
