<?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">24Jun15 (build Nov 12 2022 00:32:46) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LINUXIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-04-03T07:51:10.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">30.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">30.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">30.0</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="15.0591831"
                        xFract="0.50197277"
                        y3="14.5140231"
                        yFract="0.48380077"
                        z3="15.7178229"
                        zFract="0.52392743"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="16.8479544"
                        xFract="0.56159848"
                        y3="15.8101659"
                        yFract="0.52700553"
                        z3="16.8187998"
                        zFract="0.56062666"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="15.7454295"
                        xFract="0.52484765"
                        y3="16.6114644"
                        yFract="0.55371548"
                        z3="14.6224611"
                        zFract="0.48741537"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="17.2669557"
                        xFract="0.57556519"
                        y3="14.5102524"
                        yFract="0.48367508"
                        z3="14.6203983"
                        zFract="0.48734661"/>
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                        id="a5"
                        x3="16.8377364"
                        xFract="0.56125788"
                        y3="13.219041"
                        yFract="0.4406347"
                        z3="16.8273534"
                        zFract="0.56091178"/>
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                        id="a6"
                        x3="15.0521583"
                        xFract="0.50173861"
                        y3="14.5127613"
                        yFract="0.48375871"
                        z3="18.1829835"
                        zFract="0.60609945"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.3770059"
                        xFract="0.47923353"
                        y3="16.6109847"
                        yFract="0.55369949"
                        z3="16.8185607"
                        zFract="0.56061869"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="15.0637404"
                        xFract="0.50212468"
                        y3="14.5121622"
                        yFract="0.48373874"
                        z3="13.2561195"
                        zFract="0.44187065"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="15.7426833"
                        xFract="0.52475611"
                        y3="12.4190604"
                        yFract="0.41396868"
                        z3="14.6176722"
                        zFract="0.48725574"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="14.3804628"
                        xFract="0.47934876"
                        y3="12.4201611"
                        yFract="0.41400537"
                        z3="16.8342501"
                        zFract="0.56114167"/>
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                        id="a11"
                        x3="12.8612823"
                        xFract="0.42870941"
                        y3="14.5123125"
                        yFract="0.48374375"
                        z3="16.8406815"
                        zFract="0.56135605"/>
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                        id="a12"
                        x3="13.2780264"
                        xFract="0.44260088"
                        y3="15.8030841"
                        yFract="0.52676947"
                        z3="14.6154615"
                        zFract="0.48718205"/>
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                        id="a13"
                        x3="13.2772071"
                        xFract="0.44257357"
                        y3="13.2222411"
                        yFract="0.44074137"
                        z3="14.619444"
                        zFract="0.4873148"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="18.6442986"
                        xFract="0.62147662"
                        y3="17.1175224"
                        yFract="0.57058408"
                        z3="17.9251911"
                        zFract="0.59750637"/>
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                        id="a15"
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                        xFract="0.58532247"
                        y3="17.9590098"
                        yFract="0.59863366"
                        z3="15.722685"
                        zFract="0.5240895"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="19.1057118"
                        xFract="0.63685706"
                        y3="15.8275494"
                        yFract="0.52758498"
                        z3="15.7201929"
                        zFract="0.52400643"/>
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                        id="a17"
                        x3="18.6733887"
                        xFract="0.62244629"
                        y3="14.5156296"
                        yFract="0.48385432"
                        z3="17.9581473"
                        zFract="0.59860491"/>
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                        id="a18"
                        x3="16.8684339"
                        xFract="0.56228113"
                        y3="15.8223303"
                        yFract="0.52741101"
                        z3="19.325253"
                        zFract="0.6441751"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="16.1824347"
                        xFract="0.53941449"
                        y3="17.9543991"
                        yFract="0.59847997"
                        z3="17.9499597"
                        zFract="0.59833199"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="15.0644976"
                        xFract="0.50214992"
                        y3="18.7681371"
                        yFract="0.62560457"
                        z3="15.7216554"
                        zFract="0.52405518"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="16.4281275"
                        xFract="0.54760425"
                        y3="18.7202631"
                        yFract="0.62400877"
                        z3="13.5130458"
                        zFract="0.45043486"/>
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                        id="a22"
                        x3="17.9852442"
                        xFract="0.59950814"
                        y3="16.6366593"
                        yFract="0.55455531"
                        z3="13.4961948"
                        zFract="0.44987316"/>
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                        id="a23"
                        x3="19.4851374"
                        xFract="0.64950458"
                        y3="14.5095456"
                        yFract="0.48365152"
                        z3="13.5129996"
                        zFract="0.45043332"/>
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                        id="a24"
                        x3="19.0993572"
                        xFract="0.63664524"
                        y3="13.2015234"
                        yFract="0.44005078"
                        z3="15.7196313"
                        zFract="0.52398771"/>
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                        id="a25"
                        x3="18.6359583"
                        xFract="0.62119861"
                        y3="11.9155248"
                        yFract="0.39718416"
                        z3="17.9281239"
                        zFract="0.59760413"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="16.8607932"
                        xFract="0.56202644"
                        y3="13.2033861"
                        yFract="0.44011287"
                        z3="19.3338429"
                        zFract="0.64446143"/>
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                        id="a27"
                        x3="15.012564"
                        xFract="0.5004188"
                        y3="14.4743073"
                        yFract="0.48247691"
                        z3="20.6740578"
                        zFract="0.68913526"/>
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                        id="a28"
                        x3="14.3697594"
                        xFract="0.47899198"
                        y3="16.6353426"
                        yFract="0.55451142"
                        z3="19.3252218"
                        zFract="0.64417406"/>
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                        id="a29"
                        x3="13.6956435"
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                        y3="18.7236726"
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                        x3="13.9479183"
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                        y3="17.9493084"
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                        z3="13.4884185"
                        zFract="0.44961395"/>
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                        id="a31"
                        x3="15.7541694"
                        xFract="0.52513898"
                        y3="16.6358697"
                        yFract="0.55452899"
                        z3="12.1104129"
                        zFract="0.40368043"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="17.2971198"
                        xFract="0.57657066"
                        y3="14.5135212"
                        yFract="0.48378404"
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                        id="a33"
                        x3="17.9842494"
                        xFract="0.59947498"
                        y3="12.390969"
                        yFract="0.4130323"
                        z3="13.4787798"
                        zFract="0.44929266"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="17.5586823"
                        xFract="0.58528941"
                        y3="11.0786325"
                        yFract="0.36928775"
                        z3="15.7142934"
                        zFract="0.52380978"/>
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                        id="a35"
                        x3="16.1774574"
                        xFract="0.53924858"
                        y3="11.0714952"
                        yFract="0.36904984"
                        z3="17.9477976"
                        zFract="0.59825992"/>
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                        id="a36"
                        x3="14.3803704"
                        xFract="0.47934568"
                        y3="12.3848505"
                        yFract="0.41282835"
                        z3="19.3731999"
                        zFract="0.64577333"/>
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                        id="a37"
                        x3="12.8212383"
                        xFract="0.42737461"
                        y3="14.5105992"
                        yFract="0.48368664"
                        z3="19.3776033"
                        zFract="0.64592011"/>
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                        id="a38"
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                        id="a39"
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                        yFract="0.59840807"
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                        id="a46"
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                        x3="11.4865533"
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                        id="a51"
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                        id="a62"
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                        id="a63"
                        x3="18.2512734"
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                  <bond atomRefs2="a85 a99" order="S"/>
                  <bond atomRefs2="a86 a100" order="S"/>
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                  <bond atomRefs2="a88 a102" order="S"/>
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                  <bond atomRefs2="a95 a109" order="S"/>
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                  <bond atomRefs2="a106 a107" order="S"/>
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                  <bond atomRefs2="a126 a137" order="S"/>
                  <bond atomRefs2="a127 a138" order="S"/>
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                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a128 a129" order="S"/>
                  <bond atomRefs2="a128 a139" order="S"/>
                  <bond atomRefs2="a129 a140" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
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                  <bond atomRefs2="a130 a131" order="S"/>
                  <bond atomRefs2="a130 a141" order="S"/>
                  <bond atomRefs2="a130 a140" order="S"/>
                  <bond atomRefs2="a131 a141" order="S"/>
                  <bond atomRefs2="a132 a146" order="S"/>
                  <bond atomRefs2="a132 a142" order="S"/>
                  <bond atomRefs2="a132 a133" order="S"/>
                  <bond atomRefs2="a132 a141" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a133 a142" order="S"/>
                  <bond atomRefs2="a134 a135" order="S"/>
                  <bond atomRefs2="a134 a143" order="S"/>
                  <bond atomRefs2="a134 a142" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a135 a143" order="S"/>
                  <bond atomRefs2="a136 a137" order="S"/>
                  <bond atomRefs2="a136 a143" order="S"/>
                  <bond atomRefs2="a136 a144" order="S"/>
                  <bond atomRefs2="a137 a144" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a138 a145" order="S"/>
                  <bond atomRefs2="a138 a144" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a139 a145" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a140 a141" order="S"/>
                  <bond atomRefs2="a140 a146" order="S"/>
                  <bond atomRefs2="a140 a145" order="S"/>
                  <bond atomRefs2="a141 a146" order="S"/>
                  <bond atomRefs2="a142 a147" order="S"/>
                  <bond atomRefs2="a142 a146" order="S"/>
                  <bond atomRefs2="a142 a143" order="S"/>
                  <bond atomRefs2="a143 a147" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a144 a145" order="S"/>
                  <bond atomRefs2="a144 a147" order="S"/>
                  <bond atomRefs2="a145 a147" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a148 a151" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a150 a152" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
               </bondArray>
               <formula concise="C2HCu147O2">
                  <atomArray count="2 1 147 2" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">9397.28220000002</scalar>
               </property>
            </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>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">1638.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.10</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">RP</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">9</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="4">PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Cu O C H</array>
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                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.000 6.000 4.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">147 2 2 1</array>
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            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
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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">-455.03514060</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-455.02271134</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-455.03099751</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.2840</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1666631E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">30.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">30.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">30.0</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="15.05918"
                        xFract="0.50197267"
                        y3="14.51402"
                        yFract="0.48380067"
                        z3="15.71782"
                        zFract="0.52392733"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="16.84795"
                        xFract="0.56159833"
                        y3="15.81017"
                        yFract="0.52700567"
                        z3="16.8188"
                        zFract="0.56062667"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="15.74543"
                        xFract="0.52484767"
                        y3="16.61146"
                        yFract="0.55371533"
                        z3="14.62246"
                        zFract="0.48741533"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="17.26696"
                        xFract="0.57556533"
                        y3="14.51025"
                        yFract="0.483675"
                        z3="14.6204"
                        zFract="0.48734667"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="16.83774"
                        xFract="0.561258"
                        y3="13.21904"
                        yFract="0.44063467"
                        z3="16.82735"
                        zFract="0.56091167"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="15.05216"
                        xFract="0.50173867"
                        y3="14.51276"
                        yFract="0.48375867"
                        z3="18.18298"
                        zFract="0.60609933"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.37701"
                        xFract="0.47923367"
                        y3="16.61098"
                        yFract="0.55369933"
                        z3="16.81856"
                        zFract="0.56061867"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="15.06374"
                        xFract="0.50212467"
                        y3="14.51216"
                        yFract="0.48373867"
                        z3="13.25612"
                        zFract="0.44187067"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="15.74268"
                        xFract="0.524756"
                        y3="12.41906"
                        yFract="0.41396867"
                        z3="14.61767"
                        zFract="0.48725567"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="14.38046"
                        xFract="0.47934867"
                        y3="12.42016"
                        yFract="0.41400533"
                        z3="16.83425"
                        zFract="0.56114167"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.86128"
                        xFract="0.42870933"
                        y3="14.51231"
                        yFract="0.48374367"
                        z3="16.84068"
                        zFract="0.561356"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.27803"
                        xFract="0.442601"
                        y3="15.80308"
                        yFract="0.52676933"
                        z3="14.61546"
                        zFract="0.487182"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="13.27721"
                        xFract="0.44257367"
                        y3="13.22224"
                        yFract="0.44074133"
                        z3="14.61944"
                        zFract="0.48731467"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="18.6443"
                        xFract="0.62147667"
                        y3="17.11752"
                        yFract="0.570584"
                        z3="17.92519"
                        zFract="0.59750633"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="17.55967"
                        xFract="0.58532233"
                        y3="17.95901"
                        yFract="0.59863367"
                        z3="15.72269"
                        zFract="0.52408967"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="19.10571"
                        xFract="0.636857"
                        y3="15.82755"
                        yFract="0.527585"
                        z3="15.72019"
                        zFract="0.52400633"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="18.67339"
                        xFract="0.62244633"
                        y3="14.51563"
                        yFract="0.48385433"
                        z3="17.95815"
                        zFract="0.598605"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="16.86413"
                        xFract="0.56213767"
                        y3="15.81973"
                        yFract="0.52732433"
                        z3="19.32593"
                        zFract="0.64419767"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="16.18243"
                        xFract="0.53941433"
                        y3="17.9544"
                        yFract="0.59848"
                        z3="17.94996"
                        zFract="0.598332"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="15.0645"
                        xFract="0.50215"
                        y3="18.76814"
                        yFract="0.62560467"
                        z3="15.72166"
                        zFract="0.52405533"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="16.42813"
                        xFract="0.54760433"
                        y3="18.72026"
                        yFract="0.62400867"
                        z3="13.51305"
                        zFract="0.450435"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="17.98524"
                        xFract="0.599508"
                        y3="16.63666"
                        yFract="0.55455533"
                        z3="13.49619"
                        zFract="0.449873"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="19.48514"
                        xFract="0.64950467"
                        y3="14.50955"
                        yFract="0.48365167"
                        z3="13.5130"
                        zFract="0.45043333"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="19.09936"
                        xFract="0.63664533"
                        y3="13.20152"
                        yFract="0.44005067"
                        z3="15.71963"
                        zFract="0.52398767"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="18.63596"
                        xFract="0.62119867"
                        y3="11.91552"
                        yFract="0.397184"
                        z3="17.92812"
                        zFract="0.597604"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="16.85503"
                        xFract="0.56183433"
                        y3="13.20045"
                        yFract="0.440015"
                        z3="19.33454"
                        zFract="0.64448467"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="15.00332"
                        xFract="0.50011067"
                        y3="14.4673"
                        yFract="0.48224333"
                        z3="20.67683"
                        zFract="0.68922767"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="14.3660"
                        xFract="0.47886667"
                        y3="16.63251"
                        yFract="0.554417"
                        z3="19.32612"
                        zFract="0.644204"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="13.69564"
                        xFract="0.45652133"
                        y3="18.72367"
                        yFract="0.62412233"
                        z3="17.92333"
                        zFract="0.59744433"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.94792"
                        xFract="0.46493067"
                        y3="17.94931"
                        yFract="0.59831033"
                        z3="13.48842"
                        zFract="0.449614"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="15.75417"
                        xFract="0.525139"
                        y3="16.63587"
                        yFract="0.554529"
                        z3="12.11041"
                        zFract="0.40368033"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="17.29712"
                        xFract="0.57657067"
                        y3="14.51352"
                        yFract="0.483784"
                        z3="12.10644"
                        zFract="0.403548"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="17.98425"
                        xFract="0.599475"
                        y3="12.39097"
                        yFract="0.41303233"
                        z3="13.47878"
                        zFract="0.44929267"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="17.55868"
                        xFract="0.58528933"
                        y3="11.07863"
                        yFract="0.36928767"
                        z3="15.71429"
                        zFract="0.52380967"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="16.17746"
                        xFract="0.53924867"
                        y3="11.0715"
                        yFract="0.36905"
                        z3="17.9478"
                        zFract="0.59826"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="14.37367"
                        xFract="0.47912233"
                        y3="12.38183"
                        yFract="0.41272767"
                        z3="19.37808"
                        zFract="0.645936"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="12.81638"
                        xFract="0.42721267"
                        y3="14.5076"
                        yFract="0.48358667"
                        z3="19.38048"
                        zFract="0.646016"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="12.13903"
                        xFract="0.40463433"
                        y3="16.63575"
                        yFract="0.554525"
                        z3="17.95217"
                        zFract="0.59840567"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="12.56317"
                        xFract="0.41877233"
                        y3="17.95224"
                        yFract="0.598408"
                        z3="15.71573"
                        zFract="0.52385767"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="13.25717"
                        xFract="0.44190567"
                        y3="15.82324"
                        yFract="0.52744133"
                        z3="12.10229"
                        zFract="0.40340967"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="15.06424"
                        xFract="0.50214133"
                        y3="14.5073"
                        yFract="0.48357667"
                        z3="10.77551"
                        zFract="0.35918367"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="15.75518"
                        xFract="0.52517267"
                        y3="12.38664"
                        yFract="0.412888"
                        z3="12.10198"
                        zFract="0.40339933"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="16.42584"
                        xFract="0.547528"
                        y3="10.30802"
                        yFract="0.34360067"
                        z3="13.50877"
                        zFract="0.45029233"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="15.06025"
                        xFract="0.50200833"
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      </module>
   </module>
</module>
