<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">05Feb16 (build Aug 31 2021 10:13:08) gamma-only</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">IFC91_ompi</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-02-09T14:52:25.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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               <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>
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                        y3="14.9357523"
                        yFract="0.49785841"
                        z3="15.2697084"
                        zFract="0.50899028"/>
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                        id="a2"
                        x3="14.5400172"
                        xFract="0.48466724"
                        y3="14.9018337"
                        yFract="0.49672779"
                        z3="17.8474746"
                        zFract="0.59491582"/>
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                        id="a3"
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                        xFract="0.44395416"
                        y3="16.7590491"
                        yFract="0.55863497"
                        z3="16.5289047"
                        zFract="0.55096349"/>
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                        z3="15.1677297"
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                        z3="16.479153"
                        zFract="0.5493051"/>
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                        id="a6"
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                        xFract="0.57391511"
                        y3="14.9092269"
                        yFract="0.49697423"
                        z3="15.3488766"
                        zFract="0.51162922"/>
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                        id="a7"
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                        xFract="0.53288957"
                        y3="16.7721114"
                        yFract="0.55907038"
                        z3="14.0428401"
                        zFract="0.46809467"/>
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                        id="a8"
                        x3="14.725287"
                        xFract="0.4908429"
                        y3="14.9699076"
                        yFract="0.49899692"
                        z3="12.6768906"
                        zFract="0.42256302"/>
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                        id="a9"
                        x3="15.9494463"
                        xFract="0.53164821"
                        y3="13.1069535"
                        yFract="0.43689845"
                        z3="13.9932864"
                        zFract="0.46644288"/>
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                        id="a10"
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                        xFract="0.52993159"
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                        yFract="0.55776078"
                        z3="16.6178934"
                        zFract="0.55392978"/>
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                        yFract="0.43594536"
                        z3="16.5690216"
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                        y3="16.792782"
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                        z3="13.9441674"
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                        yFract="0.43796109"
                        z3="13.8944301"
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                        id="a14"
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                        xFract="0.48118215"
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                        z3="20.4122742"
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                        id="a16"
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                        y3="14.9884761"
                        yFract="0.49961587"
                        z3="15.0786507"
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                        id="a17"
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                        xFract="0.39790035"
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                        yFract="0.37615607"
                        z3="17.7050016"
                        zFract="0.59016672"/>
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                        id="a18"
                        x3="19.7922615"
                        xFract="0.65974205"
                        y3="14.8820673"
                        yFract="0.49606891"
                        z3="15.4429725"
                        zFract="0.51476575"/>
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                        id="a19"
                        x3="17.3356305"
                        xFract="0.57785435"
                        y3="18.596313"
                        yFract="0.6198771"
                        z3="12.822711"
                        zFract="0.4274237"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="14.8129428"
                        xFract="0.49376476"
                        y3="15.0031665"
                        yFract="0.50010555"
                        z3="10.0971561"
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                        id="a21"
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                        xFract="0.57540147"
                        y3="11.2909686"
                        yFract="0.37636562"
                        z3="12.7247574"
                        zFract="0.42415858"/>
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                        id="a22"
                        x3="17.159037"
                        xFract="0.5719679"
                        y3="18.5319402"
                        yFract="0.61773134"
                        z3="17.9769717"
                        zFract="0.59923239"/>
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                        id="a23"
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                        xFract="0.56958609"
                        y3="11.2178058"
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                        z3="17.8780977"
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                        id="a24"
                        x3="12.1858038"
                        xFract="0.40619346"
                        y3="18.6434523"
                        yFract="0.62144841"
                        z3="12.6406407"
                        zFract="0.42135469"/>
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                        id="a25"
                        x3="12.1131705"
                        xFract="0.40377235"
                        y3="11.3498694"
                        yFract="0.37832898"
                        z3="12.5428038"
                        zFract="0.41809346"/>
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                        id="a26"
                        x3="10.7082681"
                        xFract="0.35694227"
                        y3="13.1628117"
                        yFract="0.43876039"
                        z3="16.420971"
                        zFract="0.5473657"/>
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                        id="a27"
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                        xFract="0.43896985"
                        y3="13.1163453"
                        yFract="0.43721151"
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                        zFract="0.63549616"/>
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                        id="a28"
                        x3="13.2016452"
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                        id="a31"
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                        xFract="0.61732948"
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                        yFract="0.43689169"
                        z3="14.069409"
                        zFract="0.4689803"/>
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                        id="a34"
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                        id="a37"
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                        xFract="0.61437784"
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                        yFract="0.43564393"
                        z3="16.6793367"
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                  <bond atomRefs2="a74 a111" order="S"/>
                  <bond atomRefs2="a74 a140" order="S"/>
                  <bond atomRefs2="a74 a75" order="S"/>
                  <bond atomRefs2="a74 a119" order="S"/>
                  <bond atomRefs2="a75 a118" order="S"/>
                  <bond atomRefs2="a75 a140" order="S"/>
                  <bond atomRefs2="a75 a95" order="S"/>
                  <bond atomRefs2="a76 a105" order="S"/>
                  <bond atomRefs2="a76 a143" order="S"/>
                  <bond atomRefs2="a76 a77" order="S"/>
                  <bond atomRefs2="a76 a121" order="S"/>
                  <bond atomRefs2="a77 a89" order="S"/>
                  <bond atomRefs2="a77 a120" order="S"/>
                  <bond atomRefs2="a77 a143" order="S"/>
                  <bond atomRefs2="a78 a123" order="S"/>
                  <bond atomRefs2="a78 a79" order="S"/>
                  <bond atomRefs2="a78 a142" order="S"/>
                  <bond atomRefs2="a78 a113" order="S"/>
                  <bond atomRefs2="a79 a120" order="S"/>
                  <bond atomRefs2="a79 a91" order="S"/>
                  <bond atomRefs2="a79 a142" order="S"/>
                  <bond atomRefs2="a80 a141" order="S"/>
                  <bond atomRefs2="a80 a121" order="S"/>
                  <bond atomRefs2="a80 a81" order="S"/>
                  <bond atomRefs2="a80 a107" order="S"/>
                  <bond atomRefs2="a81 a141" order="S"/>
                  <bond atomRefs2="a81 a97" order="S"/>
                  <bond atomRefs2="a81 a122" order="S"/>
                  <bond atomRefs2="a82 a147" order="S"/>
                  <bond atomRefs2="a82 a83" order="S"/>
                  <bond atomRefs2="a82 a123" order="S"/>
                  <bond atomRefs2="a82 a115" order="S"/>
                  <bond atomRefs2="a83 a122" order="S"/>
                  <bond atomRefs2="a83 a147" order="S"/>
                  <bond atomRefs2="a83 a99" order="S"/>
                  <bond atomRefs2="a84 a133" order="S"/>
                  <bond atomRefs2="a84 a100" order="S"/>
                  <bond atomRefs2="a84 a85" order="S"/>
                  <bond atomRefs2="a84 a146" order="S"/>
                  <bond atomRefs2="a85 a132" order="S"/>
                  <bond atomRefs2="a85 a146" order="S"/>
                  <bond atomRefs2="a86 a145" order="S"/>
                  <bond atomRefs2="a86 a108" order="S"/>
                  <bond atomRefs2="a86 a135" order="S"/>
                  <bond atomRefs2="a86 a87" order="S"/>
                  <bond atomRefs2="a87 a145" order="S"/>
                  <bond atomRefs2="a87 a132" order="S"/>
                  <bond atomRefs2="a88 a89" order="S"/>
                  <bond atomRefs2="a88 a104" order="S"/>
                  <bond atomRefs2="a88 a143" order="S"/>
                  <bond atomRefs2="a88 a133" order="S"/>
                  <bond atomRefs2="a89 a143" order="S"/>
                  <bond atomRefs2="a89 a134" order="S"/>
                  <bond atomRefs2="a90 a112" order="S"/>
                  <bond atomRefs2="a90 a135" order="S"/>
                  <bond atomRefs2="a90 a91" order="S"/>
                  <bond atomRefs2="a90 a142" order="S"/>
                  <bond atomRefs2="a91 a142" order="S"/>
                  <bond atomRefs2="a91 a134" order="S"/>
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                  <bond atomRefs2="a93 a144" order="S"/>
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                  <bond atomRefs2="a99 a147" order="S"/>
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                  <bond atomRefs2="a100 a101" order="S"/>
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                  <bond atomRefs2="a103 a124" order="S"/>
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                  <bond atomRefs2="a104 a143" order="S"/>
                  <bond atomRefs2="a104 a105" order="S"/>
                  <bond atomRefs2="a104 a125" order="S"/>
                  <bond atomRefs2="a105 a143" order="S"/>
                  <bond atomRefs2="a105 a126" order="S"/>
                  <bond atomRefs2="a106 a141" order="S"/>
                  <bond atomRefs2="a106 a127" order="S"/>
                  <bond atomRefs2="a106 a107" order="S"/>
                  <bond atomRefs2="a107 a141" order="S"/>
                  <bond atomRefs2="a107 a126" order="S"/>
                  <bond atomRefs2="a108 a145" order="S"/>
                  <bond atomRefs2="a108 a109" order="S"/>
                  <bond atomRefs2="a108 a129" order="S"/>
                  <bond atomRefs2="a109 a145" order="S"/>
                  <bond atomRefs2="a109 a128" order="S"/>
                  <bond atomRefs2="a110 a131" order="S"/>
                  <bond atomRefs2="a110 a111" order="S"/>
                  <bond atomRefs2="a110 a140" order="S"/>
                  <bond atomRefs2="a111 a140" order="S"/>
                  <bond atomRefs2="a111 a128" order="S"/>
                  <bond atomRefs2="a112 a113" order="S"/>
                  <bond atomRefs2="a112 a129" order="S"/>
                  <bond atomRefs2="a112 a142" order="S"/>
                  <bond atomRefs2="a113 a130" order="S"/>
                  <bond atomRefs2="a113 a142" order="S"/>
                  <bond atomRefs2="a114 a115" order="S"/>
                  <bond atomRefs2="a114 a131" order="S"/>
                  <bond atomRefs2="a114 a147" order="S"/>
                  <bond atomRefs2="a115 a130" order="S"/>
                  <bond atomRefs2="a115 a147" order="S"/>
                  <bond atomRefs2="a116 a119" order="S"/>
                  <bond atomRefs2="a116 a117" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a117 a148" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a120 a123" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
                  <bond atomRefs2="a121 a122" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a124 a127" order="S"/>
                  <bond atomRefs2="a124 a125" order="S"/>
                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a128 a129" order="S"/>
                  <bond atomRefs2="a128 a131" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a130 a131" order="S"/>
                  <bond atomRefs2="a132 a135" order="S"/>
                  <bond atomRefs2="a132 a133" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a134 a135" order="S"/>
                  <bond atomRefs2="a136 a139" order="S"/>
                  <bond atomRefs2="a136 a137" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a148 a150" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
               </bondArray>
               <formula concise="CHCu147O">
                  <atomArray count="1 1 147 1" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">9369.272100000018</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.2000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">1628.0000</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 C 08Apr2002|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Cu C O H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">63.546 12.011 16.000 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.000 4.000 6.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">147 1 1 1</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
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               </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">-433.07755891</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-433.02889102</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-433.06133628</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.1838</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1710205E-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="14.62836"
                        xFract="0.487612"
                        y3="14.93575"
                        yFract="0.49785833"
                        z3="15.26935"
                        zFract="0.50897833"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="14.53931"
                        xFract="0.48464367"
                        y3="14.90165"
                        yFract="0.49672167"
                        z3="17.8481"
                        zFract="0.59493667"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="13.31886"
                        xFract="0.443962"
                        y3="16.75825"
                        yFract="0.55860833"
                        z3="16.53002"
                        zFract="0.55100067"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="12.05202"
                        xFract="0.401734"
                        y3="14.96247"
                        yFract="0.498749"
                        z3="15.16948"
                        zFract="0.50564933"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.28342"
                        xFract="0.44278067"
                        y3="13.10596"
                        yFract="0.43686533"
                        z3="16.47992"
                        zFract="0.54933067"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="17.21785"
                        xFract="0.57392833"
                        y3="14.90905"
                        yFract="0.49696833"
                        z3="15.3482"
                        zFract="0.51160667"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="15.98762"
                        xFract="0.53292067"
                        y3="16.77228"
                        yFract="0.559076"
                        z3="14.04207"
                        zFract="0.468069"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="14.72678"
                        xFract="0.49089267"
                        y3="14.97008"
                        yFract="0.49900267"
                        z3="12.67619"
                        zFract="0.42253967"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="15.95017"
                        xFract="0.53167233"
                        y3="13.10685"
                        yFract="0.436895"
                        z3="13.99232"
                        zFract="0.46641067"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="15.89823"
                        xFract="0.529941"
                        y3="16.73262"
                        yFract="0.557754"
                        z3="16.61705"
                        zFract="0.55390167"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="15.86306"
                        xFract="0.52876867"
                        y3="13.0783"
                        yFract="0.43594333"
                        z3="16.5682"
                        zFract="0.55227333"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.40821"
                        xFract="0.44694033"
                        y3="16.79228"
                        yFract="0.55974267"
                        z3="13.94443"
                        zFract="0.46481433"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="13.37139"
                        xFract="0.445713"
                        y3="13.13969"
                        yFract="0.43798967"
                        z3="13.8945"
                        zFract="0.46315"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="14.43373"
                        xFract="0.48112433"
                        y3="14.86784"
                        yFract="0.49559467"
                        z3="20.41331"
                        zFract="0.68044367"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="12.00808"
                        xFract="0.40026933"
                        y3="18.57212"
                        yFract="0.61907067"
                        z3="17.80407"
                        zFract="0.593469"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="9.4697"
                        xFract="0.31565667"
                        y3="14.98875"
                        yFract="0.499625"
                        z3="15.08135"
                        zFract="0.50271167"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.93669"
                        xFract="0.39788967"
                        y3="11.28561"
                        yFract="0.376187"
                        z3="17.70593"
                        zFract="0.59019767"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="19.79189"
                        xFract="0.65972967"
                        y3="14.88182"
                        yFract="0.49606067"
                        z3="15.44284"
                        zFract="0.51476133"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="17.33623"
                        xFract="0.57787433"
                        y3="18.59699"
                        yFract="0.61989967"
                        z3="12.82217"
                        zFract="0.42740567"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="14.81544"
                        xFract="0.493848"
                        y3="15.00351"
                        yFract="0.500117"
                        z3="10.09596"
                        zFract="0.336532"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="17.26227"
                        xFract="0.575409"
                        y3="11.29051"
                        yFract="0.37635033"
                        z3="12.72382"
                        zFract="0.42412733"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="17.15922"
                        xFract="0.571974"
                        y3="18.53212"
                        yFract="0.61773733"
                        z3="17.97605"
                        zFract="0.59920167"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="17.08739"
                        xFract="0.56957967"
                        y3="11.21696"
                        yFract="0.37389867"
                        z3="17.87705"
                        zFract="0.59590167"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="12.18689"
                        xFract="0.40622967"
                        y3="18.6424"
                        yFract="0.62141333"
                        z3="12.64059"
                        zFract="0.421353"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="12.1139"
                        xFract="0.40379667"
                        y3="11.35182"
                        yFract="0.378394"
                        z3="12.54249"
                        zFract="0.418083"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="10.70816"
                        xFract="0.35693867"
                        y3="13.16343"
                        yFract="0.438781"
                        z3="16.42295"
                        zFract="0.54743167"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="13.16787"
                        xFract="0.438929"
                        y3="13.11604"
                        yFract="0.43720133"
                        z3="19.06622"
                        zFract="0.63554067"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="13.20012"
                        xFract="0.440004"
                        y3="16.67824"
                        yFract="0.55594133"
                        z3="19.11669"
                        zFract="0.637223"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="10.74379"
                        xFract="0.35812633"
                        y3="16.75333"
                        yFract="0.55844433"
                        z3="16.47073"
                        zFract="0.54902433"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="16.05856"
                        xFract="0.53528533"
                        y3="13.16507"
                        yFract="0.43883567"
                        z3="11.41912"
                        zFract="0.38063733"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="18.52004"
                        xFract="0.61733467"
                        y3="13.10626"
                        yFract="0.43687533"
                        z3="14.0690"
                        zFract="0.46896667"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="18.55616"
                        xFract="0.61853867"
                        y3="16.72084"
                        yFract="0.55736133"
                        z3="14.11722"
                        zFract="0.470574"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="16.09649"
                        xFract="0.53654967"
                        y3="16.78101"
                        yFract="0.559367"
                        z3="11.46887"
                        zFract="0.38229567"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="15.82449"
                        xFract="0.527483"
                        y3="16.67954"
                        yFract="0.55598467"
                        z3="19.18885"
                        zFract="0.63962833"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="18.46673"
                        xFract="0.61555767"
                        y3="16.68899"
                        yFract="0.55629967"
                        z3="16.72588"
                        zFract="0.55752933"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.79039"
                        xFract="0.52634633"
                        y3="13.06253"
                        yFract="0.43541767"
                        z3="19.14118"
                        zFract="0.63803933"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="18.43134"
                        xFract="0.614378"
                        y3="13.06821"
                        yFract="0.435607"
                        z3="16.6786"
                        zFract="0.55595333"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="10.83612"
                        xFract="0.361204"
                        y3="16.79798"
                        yFract="0.55993267"
                        z3="13.85265"
                        zFract="0.461755"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="13.48966"
                        xFract="0.44965533"
                        y3="16.81074"
                        yFract="0.560358"
                        z3="11.37149"
                        zFract="0.37904967"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="10.7988"
                        xFract="0.35996"
                        y3="13.18707"
                        yFract="0.439569"
                        z3="13.8042"
                        zFract="0.46014"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="13.45302"
                        xFract="0.448434"
                        y3="13.18999"
                        yFract="0.43966633"
                        z3="11.32143"
                        zFract="0.377381"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="14.5820"
                        xFract="0.48606667"
                        y3="18.55417"
                        yFract="0.61847233"
                        z3="17.86453"
                        zFract="0.59548433"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="17.22722"
                        xFract="0.57424067"
                        y3="18.57175"
                        yFract="0.61905833"
                        z3="15.40071"
                        zFract="0.513357"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="12.11477"
                        xFract="0.40382567"
                        y3="18.61195"
                        yFract="0.62039833"
                        z3="15.22355"
                        zFract="0.50745167"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="14.76197"
                        xFract="0.49206567"
                        y3="18.62643"
                        yFract="0.620881"
                        z3="12.7482"
                        zFract="0.42494"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="14.51136"
                        xFract="0.483712"
                        y3="11.24863"
                        yFract="0.37495433"
                        z3="17.76573"
                        zFract="0.592191"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="17.15511"
                        xFract="0.571837"
                        y3="11.24711"
                        yFract="0.37490367"
                        z3="15.3018"
                        zFract="0.51006"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="12.04183"
                        xFract="0.40139433"
                        y3="11.3122"
                        yFract="0.37707333"
                        z3="15.12645"
                        zFract="0.504215"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="14.68825"
                        xFract="0.48960833"
                        y3="11.31182"
                        yFract="0.37706067"
                        z3="12.64934"
                        zFract="0.42164467"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="14.67337"
                        xFract="0.48911233"
                        y3="18.62925"
                        yFract="0.620975"
                        z3="15.30438"
                        zFract="0.510146"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="17.14773"
                        xFract="0.571591"
                        y3="14.87477"
                        yFract="0.49582567"
                        z3="17.9562"
                        zFract="0.59854"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="11.93778"
                        xFract="0.397926"
                        y3="14.92725"
                        yFract="0.497575"
                        z3="17.80113"
                        zFract="0.593371"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="14.60046"
                        xFract="0.486682"
                        y3="11.24213"
                        yFract="0.37473767"
                        z3="15.20558"
                        zFract="0.50685267"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="12.12569"
                        xFract="0.40418967"
                        y3="14.99655"
                        yFract="0.499885"
                        z3="12.55718"
                        zFract="0.41857267"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="17.33347"
                        xFract="0.57778233"
                        y3="14.94289"
                        yFract="0.49809633"
                        z3="12.74239"
                        zFract="0.42474633"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="14.39472"
                        xFract="0.479824"
                        y3="14.83551"
                        yFract="0.494517"
                        z3="22.83641"
                        zFract="0.76121367"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="10.77129"
                        xFract="0.359043"
                        y3="20.29382"
                        yFract="0.67646067"
                        z3="18.9864"
                        zFract="0.63288"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="7.04031"
                        xFract="0.234677"
                        y3="15.01486"
                        yFract="0.50049533"
                        z3="15.00985"
                        zFract="0.50032833"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="10.66618"
                        xFract="0.35553933"
                        y3="9.55992"
                        yFract="0.318664"
                        z3="18.84347"
                        zFract="0.62811567"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="22.2192"
                        xFract="0.74064"
                        y3="14.8567"
                        yFract="0.49522333"
                        z3="15.53261"
                        zFract="0.51775367"/>
                  <atom elementType="Cu"
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            </molecule>
         </module>
      </module>
   </module>
</module>
