<?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">2023-05-17T20:50:33.000</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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                        yFract="0.49413251"
                        z3="15.6904179"
                        zFract="0.52301393"/>
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                        id="a2"
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                        xFract="0.52514373"
                        y3="14.8283256"
                        yFract="0.49427752"
                        z3="18.3287463"
                        zFract="0.61095821"/>
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                        xFract="0.45158052"
                        y3="14.826555"
                        yFract="0.4942185"
                        z3="17.0028084"
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                        z3="17.0038104"
                        zFract="0.56679368"/>
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                        xFract="0.58460748"
                        y3="13.5305571"
                        yFract="0.45101857"
                        z3="17.0015646"
                        zFract="0.56671882"/>
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                        id="a7"
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                        y3="12.7217247"
                        yFract="0.42405749"
                        z3="17.0112762"
                        zFract="0.56704254"/>
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                        id="a8"
                        x3="15.7565931"
                        xFract="0.52521977"
                        y3="14.8341267"
                        yFract="0.49447089"
                        z3="13.0558248"
                        zFract="0.43519416"/>
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                        id="a9"
                        x3="13.5483087"
                        xFract="0.45161029"
                        y3="14.8253529"
                        yFract="0.49417843"
                        z3="14.385792"
                        zFract="0.4795264"/>
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                        y3="16.9265853"
                        yFract="0.56421951"
                        z3="14.3836353"
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                        id="a11"
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                        z3="14.3832756"
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                        xFract="0.58457921"
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                        y3="14.8281375"
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                        z3="20.9046276"
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                        z3="19.5750021"
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                        id="a18"
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                        xFract="0.58447065"
                        y3="13.5230259"
                        yFract="0.45076753"
                        z3="19.5756594"
                        zFract="0.65252198"/>
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                        id="a19"
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                        xFract="0.50249673"
                        y3="12.7331385"
                        yFract="0.42443795"
                        z3="19.5803844"
                        zFract="0.65267948"/>
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                        id="a20"
                        x3="12.824991"
                        xFract="0.4274997"
                        y3="12.6943983"
                        yFract="0.42314661"
                        z3="18.2675043"
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                        id="a21"
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                        xFract="0.37750305"
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                        z3="18.2622057"
                        zFract="0.60874019"/>
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                        id="a22"
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                        xFract="0.42742587"
                        y3="16.9516605"
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                        z3="18.2706933"
                        zFract="0.60902311"/>
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                        id="a23"
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                        xFract="0.47941531"
                        y3="19.0354923"
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                        z3="18.2576772"
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                        id="a24"
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                        yFract="0.60898143"
                        z3="18.2665419"
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                        id="a25"
                        x3="19.3369224"
                        xFract="0.64456408"
                        y3="17.42514"
                        yFract="0.580838"
                        z3="18.2578401"
                        zFract="0.60859467"/>
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                        id="a26"
                        x3="19.3751211"
                        xFract="0.64583737"
                        y3="14.8235871"
                        yFract="0.49411957"
                        z3="18.2706762"
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                        id="a27"
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                        y3="12.2280066"
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                        id="a28"
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                        id="a31"
                        x3="11.3377971"
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                        yFract="0.49431903"
                        z3="15.6929241"
                        zFract="0.52309747"/>
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                        id="a34"
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                  <bond atomRefs2="a79 a94" order="S"/>
                  <bond atomRefs2="a79 a80" order="S"/>
                  <bond atomRefs2="a80 a95" order="S"/>
                  <bond atomRefs2="a80 a81" order="S"/>
                  <bond atomRefs2="a81 a96" order="S"/>
                  <bond atomRefs2="a81 a82" order="S"/>
                  <bond atomRefs2="a82 a97" order="S"/>
                  <bond atomRefs2="a82 a83" order="S"/>
                  <bond atomRefs2="a83 a84" order="S"/>
                  <bond atomRefs2="a83 a98" order="S"/>
                  <bond atomRefs2="a84 a85" order="S"/>
                  <bond atomRefs2="a84 a99" order="S"/>
                  <bond atomRefs2="a85 a100" order="S"/>
                  <bond atomRefs2="a85 a86" order="S"/>
                  <bond atomRefs2="a86 a101" order="S"/>
                  <bond atomRefs2="a86 a148" order="S"/>
                  <bond atomRefs2="a87 a101" order="S"/>
                  <bond atomRefs2="a87 a88" order="S"/>
                  <bond atomRefs2="a87 a102" order="S"/>
                  <bond atomRefs2="a88 a103" order="S"/>
                  <bond atomRefs2="a88 a89" order="S"/>
                  <bond atomRefs2="a89 a90" order="S"/>
                  <bond atomRefs2="a89 a104" order="S"/>
                  <bond atomRefs2="a90 a91" order="S"/>
                  <bond atomRefs2="a90 a105" order="S"/>
                  <bond atomRefs2="a91 a92" order="S"/>
                  <bond atomRefs2="a91 a106" order="S"/>
                  <bond atomRefs2="a92 a107" order="S"/>
                  <bond atomRefs2="a92 a93" order="S"/>
                  <bond atomRefs2="a93 a94" order="S"/>
                  <bond atomRefs2="a93 a108" order="S"/>
                  <bond atomRefs2="a94 a95" order="S"/>
                  <bond atomRefs2="a94 a109" order="S"/>
                  <bond atomRefs2="a95 a96" order="S"/>
                  <bond atomRefs2="a95 a110" order="S"/>
                  <bond atomRefs2="a96 a111" order="S"/>
                  <bond atomRefs2="a96 a97" order="S"/>
                  <bond atomRefs2="a97 a98" order="S"/>
                  <bond atomRefs2="a97 a112" order="S"/>
                  <bond atomRefs2="a98 a99" order="S"/>
                  <bond atomRefs2="a98 a113" order="S"/>
                  <bond atomRefs2="a99 a100" order="S"/>
                  <bond atomRefs2="a99 a114" order="S"/>
                  <bond atomRefs2="a100 a115" order="S"/>
                  <bond atomRefs2="a100 a101" order="S"/>
                  <bond atomRefs2="a101 a116" order="S"/>
                  <bond atomRefs2="a102 a116" order="S"/>
                  <bond atomRefs2="a102 a103" order="S"/>
                  <bond atomRefs2="a102 a133" order="S"/>
                  <bond atomRefs2="a103 a134" order="S"/>
                  <bond atomRefs2="a103 a104" order="S"/>
                  <bond atomRefs2="a104 a135" order="S"/>
                  <bond atomRefs2="a104 a105" order="S"/>
                  <bond atomRefs2="a105 a136" order="S"/>
                  <bond atomRefs2="a105 a106" order="S"/>
                  <bond atomRefs2="a106 a107" order="S"/>
                  <bond atomRefs2="a106 a137" order="S"/>
                  <bond atomRefs2="a107 a138" order="S"/>
                  <bond atomRefs2="a107 a108" order="S"/>
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                  <bond atomRefs2="a110 a111" order="S"/>
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                  <bond atomRefs2="a118 a119" order="S"/>
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                  <bond atomRefs2="a118 a122" order="S"/>
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                  <bond atomRefs2="a120 a127" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
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                  <bond atomRefs2="a121 a130" order="S"/>
                  <bond atomRefs2="a121 a131" order="S"/>
                  <bond atomRefs2="a121 a129" order="S"/>
                  <bond atomRefs2="a121 a122" order="S"/>
                  <bond atomRefs2="a122 a132" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a122 a131" order="S"/>
                  <bond atomRefs2="a123 a134" order="S"/>
                  <bond atomRefs2="a123 a133" order="S"/>
                  <bond atomRefs2="a123 a132" order="S"/>
                  <bond atomRefs2="a123 a124" order="S"/>
                  <bond atomRefs2="a124 a125" order="S"/>
                  <bond atomRefs2="a124 a136" order="S"/>
                  <bond atomRefs2="a124 a135" order="S"/>
                  <bond atomRefs2="a124 a134" order="S"/>
                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a125 a136" order="S"/>
                  <bond atomRefs2="a125 a137" order="S"/>
                  <bond atomRefs2="a126 a138" order="S"/>
                  <bond atomRefs2="a126 a137" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a126 a139" order="S"/>
                  <bond atomRefs2="a127 a139" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a127 a140" order="S"/>
                  <bond atomRefs2="a128 a141" order="S"/>
                  <bond atomRefs2="a128 a142" order="S"/>
                  <bond atomRefs2="a128 a140" order="S"/>
                  <bond atomRefs2="a128 a129" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a129 a143" order="S"/>
                  <bond atomRefs2="a129 a142" order="S"/>
                  <bond atomRefs2="a130 a143" order="S"/>
                  <bond atomRefs2="a130 a144" order="S"/>
                  <bond atomRefs2="a130 a131" order="S"/>
                  <bond atomRefs2="a130 a145" order="S"/>
                  <bond atomRefs2="a131 a145" order="S"/>
                  <bond atomRefs2="a131 a146" order="S"/>
                  <bond atomRefs2="a131 a132" order="S"/>
                  <bond atomRefs2="a132 a147" order="S"/>
                  <bond atomRefs2="a132 a133" order="S"/>
                  <bond atomRefs2="a132 a146" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a133 a147" order="S"/>
                  <bond atomRefs2="a134 a135" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a136 a137" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a140 a141" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a142 a143" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a144 a145" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
               </bondArray>
               <formula concise="CCu147O">
                  <atomArray count="1 147 1" elementType="C 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">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">1627.0000</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="3">PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
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                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.000 4.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">147 1 1</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
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-0.000372 0.000282 0.000609 -0.000085 0.000976 -0.000730 0.000915 0.002117 0.000805 -0.000815 -0.001737 0.002554 0.001293 0.000523 0.002002 0.003081 -0.000131 -0.001310 0.000524 0.000205 -0.001595 0.000315 -0.000321 -0.000209 -0.000754 0.000068 -0.000507 -0.000824 -0.001134 -0.001208 0.000363 0.000128 -0.000195 0.002199 -0.000037 -0.001270 -0.000545 0.000330 -0.001066 0.000544 -0.000311 0.000421 -0.000760 -0.000287 0.001123 -0.001029 -0.000096 -0.000089 -0.001940 0.000980 0.000767 -0.000813 0.000548 -0.000346 -0.000391 -0.000798 -0.000605 0.000670 -0.000608 -0.000627 -0.000593 0.000581 0.000926 0.000024 -0.000494 0.000012 -0.000494 0.000196 -0.001814 0.000901 -0.000256 -0.000321 0.000297 0.000099 -0.000165 -0.000113 -0.000722 0.000420 -0.001387 0.000674 0.000230 -0.000715 -0.000547 0.000660 -0.000454 0.001224 0.000034 -0.000361 0.000043 0.000561 -0.000222 0.000703 -0.000279 -0.001474 0.000071 0.000216 -0.000039 0.000508 -0.000507 0.000492 -0.000682 -0.001620 0.000581 0.000639 -0.000303 -0.000243 -0.000525 -0.001492 -0.002242 0.006866 0.008060 0.010896 0.005758 0.005249 -0.001204</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">-431.93871299</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-431.88185820</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-431.91976139</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.1982</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5282258E-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="15.7530"
                        xFract="0.5251"
                        y3="14.82531"
                        yFract="0.494177"
                        z3="15.68946"
                        zFract="0.522982"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="15.75439"
                        xFract="0.52514633"
                        y3="14.82879"
                        yFract="0.494293"
                        z3="18.32728"
                        zFract="0.61090933"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="13.54634"
                        xFract="0.45154467"
                        y3="14.8277"
                        yFract="0.49425667"
                        z3="17.0017"
                        zFract="0.56672333"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="15.07155"
                        xFract="0.502385"
                        y3="16.92142"
                        yFract="0.56404733"
                        z3="17.00203"
                        zFract="0.56673433"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="17.53623"
                        xFract="0.584541"
                        y3="16.12061"
                        yFract="0.53735367"
                        z3="17.00151"
                        zFract="0.566717"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="17.53978"
                        xFract="0.58465933"
                        y3="13.53074"
                        yFract="0.45102467"
                        z3="17.0006"
                        zFract="0.56668667"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="15.07125"
                        xFract="0.502375"
                        y3="12.72335"
                        yFract="0.42411167"
                        z3="17.01048"
                        zFract="0.567016"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="15.75718"
                        xFract="0.52523933"
                        y3="14.83537"
                        yFract="0.49451233"
                        z3="13.05576"
                        zFract="0.435192"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="13.54784"
                        xFract="0.45159467"
                        y3="14.82579"
                        yFract="0.494193"
                        z3="14.38574"
                        zFract="0.47952467"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="15.07543"
                        xFract="0.50251433"
                        y3="16.92691"
                        yFract="0.56423033"
                        z3="14.38225"
                        zFract="0.47940833"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="17.53683"
                        xFract="0.584561"
                        y3="16.12698"
                        yFract="0.537566"
                        z3="14.38213"
                        zFract="0.47940433"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="17.53796"
                        xFract="0.58459867"
                        y3="13.52902"
                        yFract="0.45096733"
                        z3="14.3849"
                        zFract="0.47949667"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="15.07343"
                        xFract="0.50244767"
                        y3="12.73328"
                        yFract="0.42444267"
                        z3="14.38276"
                        zFract="0.47942533"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="15.75552"
                        xFract="0.525184"
                        y3="14.8280"
                        yFract="0.49426667"
                        z3="20.90534"
                        zFract="0.69684467"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="13.54614"
                        xFract="0.451538"
                        y3="14.81892"
                        yFract="0.493964"
                        z3="19.57701"
                        zFract="0.652567"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="15.07107"
                        xFract="0.502369"
                        y3="16.91723"
                        yFract="0.56390767"
                        z3="19.57352"
                        zFract="0.65245067"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="17.53564"
                        xFract="0.58452133"
                        y3="16.11703"
                        yFract="0.53723433"
                        z3="19.57302"
                        zFract="0.652434"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="17.53718"
                        xFract="0.58457267"
                        y3="13.52361"
                        yFract="0.450787"
                        z3="19.57607"
                        zFract="0.65253567"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="15.07672"
                        xFract="0.50255733"
                        y3="12.73658"
                        yFract="0.42455267"
                        z3="19.58048"
                        zFract="0.65268267"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.82651"
                        xFract="0.42755033"
                        y3="12.69947"
                        yFract="0.42331567"
                        z3="18.26824"
                        zFract="0.60894133"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="11.32031"
                        xFract="0.37734367"
                        y3="14.8288"
                        yFract="0.49429333"
                        z3="18.26315"
                        zFract="0.60877167"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="12.81916"
                        xFract="0.42730533"
                        y3="16.94924"
                        yFract="0.56497467"
                        z3="18.26879"
                        zFract="0.60895967"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="14.37967"
                        xFract="0.47932233"
                        y3="19.03255"
                        yFract="0.63441833"
                        z3="18.25552"
                        zFract="0.60851733"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="16.87124"
                        xFract="0.56237467"
                        y3="18.26777"
                        yFract="0.60892567"
                        z3="18.2649"
                        zFract="0.60883"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="19.33619"
                        xFract="0.64453967"
                        y3="17.42187"
                        yFract="0.580729"
                        z3="18.25591"
                        zFract="0.60853033"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="19.37653"
                        xFract="0.64588433"
                        y3="14.82008"
                        yFract="0.49400267"
                        z3="18.26855"
                        zFract="0.60895167"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="19.34224"
                        xFract="0.64474133"
                        y3="12.22431"
                        yFract="0.407477"
                        z3="18.26254"
                        zFract="0.60875133"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="16.87439"
                        xFract="0.56247967"
                        y3="11.38485"
                        yFract="0.379495"
                        z3="18.26717"
                        zFract="0.60890567"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.37652"
                        xFract="0.47921733"
                        y3="10.58093"
                        yFract="0.35269767"
                        z3="18.29874"
                        zFract="0.609958"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="12.83352"
                        xFract="0.427784"
                        y3="12.70087"
                        yFract="0.42336233"
                        z3="15.6997"
                        zFract="0.52332333"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="11.33558"
                        xFract="0.37785267"
                        y3="14.82747"
                        yFract="0.494249"
                        z3="15.69397"
                        zFract="0.52313233"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="12.8296"
                        xFract="0.42765333"
                        y3="16.95454"
                        yFract="0.56515133"
                        z3="15.69134"
                        zFract="0.52304467"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="14.38897"
                        xFract="0.47963233"
                        y3="19.02944"
                        yFract="0.63431467"
                        z3="15.69131"
                        zFract="0.52304367"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="16.87071"
                        xFract="0.562357"
                        y3="18.26699"
                        yFract="0.60889967"
                        z3="15.6917"
                        zFract="0.52305667"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="19.32701"
                        xFract="0.64423367"
                        y3="17.42627"
                        yFract="0.58087567"
                        z3="15.6921"
                        zFract="0.52307"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="19.36998"
                        xFract="0.645666"
                        y3="14.82971"
                        yFract="0.49432367"
                        z3="15.69177"
                        zFract="0.523059"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="19.32718"
                        xFract="0.64423933"
                        y3="12.2292"
                        yFract="0.40764"
                        z3="15.69391"
                        zFract="0.52313033"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="16.86546"
                        xFract="0.562182"
                        y3="11.38904"
                        yFract="0.37963467"
                        z3="15.69895"
                        zFract="0.52329833"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="14.39039"
                        xFract="0.47967967"
                        y3="10.63108"
                        yFract="0.35436933"
                        z3="15.70851"
                        zFract="0.523617"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="15.75875"
                        xFract="0.52529167"
                        y3="14.8369"
                        yFract="0.49456333"
                        z3="10.48094"
                        zFract="0.34936467"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="13.55432"
                        xFract="0.45181067"
                        y3="14.82734"
                        yFract="0.49424467"
                        z3="11.81183"
                        zFract="0.39372767"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="15.07813"
                        xFract="0.50260433"
                        y3="16.92878"
                        yFract="0.56429267"
                        z3="11.81089"
                        zFract="0.39369633"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="17.53873"
                        xFract="0.58462433"
                        y3="16.12965"
                        yFract="0.537655"
                        z3="11.81042"
                        zFract="0.39368067"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="17.53617"
                        xFract="0.584539"
                        y3="13.53395"
                        yFract="0.45113167"
                        z3="11.81118"
                        zFract="0.393706"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="15.07651"
                        xFract="0.50255033"
                        y3="12.73599"
                        yFract="0.424533"
                        z3="11.81434"
                        zFract="0.39381133"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="12.82513"
                        xFract="0.42750433"
                        y3="12.70514"
                        yFract="0.42350467"
                        z3="13.12125"
                        zFract="0.437375"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="11.32851"
                        xFract="0.377617"
                        y3="14.82907"
                        yFract="0.49430233"
                        z3="13.12815"
                        zFract="0.437605"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="12.82792"
                        xFract="0.42759733"
                        y3="16.95296"
                        yFract="0.56509867"
                        z3="13.11998"
                        zFract="0.43733267"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="14.38934"
                        xFract="0.47964467"
                        y3="19.0403"
                        yFract="0.63467667"
                        z3="13.12496"
                        zFract="0.43749867"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="16.87424"
                        xFract="0.56247467"
                        y3="18.27303"
                        yFract="0.609101"
                        z3="13.11385"
                        zFract="0.43712833"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="19.33531"
                        xFract="0.64451033"
                        y3="17.43373"
                        yFract="0.58112433"
                        z3="13.12609"
                        zFract="0.43753633"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="19.37185"
                        xFract="0.64572833"
                        y3="14.82754"
                        yFract="0.49425133"
                        z3="13.12037"
                        zFract="0.43734567"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="19.33552"
                        xFract="0.64451733"
                        y3="12.22688"
                        yFract="0.40756267"
                        z3="13.12816"
                        zFract="0.43760533"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="16.87719"
                        xFract="0.562573"
                        y3="11.38766"
                        yFract="0.37958867"
                        z3="13.12125"
                        zFract="0.437375"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="14.3909"
                        xFract="0.47969667"
                        y3="10.62505"
                        yFract="0.35416833"
                        z3="13.13074"
                        zFract="0.43769133"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="15.75748"
                        xFract="0.52524933"
                        y3="14.83463"
                        yFract="0.49448767"
                        z3="23.38663"
                        zFract="0.77955433"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="13.55137"
                        xFract="0.45171233"
                        y3="14.82687"
                        yFract="0.494229"
                        z3="22.12619"
                        zFract="0.73753967"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="15.07063"
                        xFract="0.50235433"
                        y3="16.92058"
                        yFract="0.56401933"
                        z3="22.11834"
                        zFract="0.737278"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="17.53913"
                        xFract="0.58463767"
                        y3="16.1190"
                        yFract="0.5373"
                        z3="22.1190"
                        zFract="0.7373"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="17.5391"
                        xFract="0.58463667"
                        y3="13.5326"
                        yFract="0.45108667"
                        z3="22.12697"
                        zFract="0.73756567"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="15.07938"
                        xFract="0.502646"
                        y3="12.74312"
                        yFract="0.42477067"
                        z3="22.12906"
                        zFract="0.73763533"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="12.82969"
                        xFract="0.42765633"
                        y3="12.70699"
                        yFract="0.42356633"
                        z3="20.90206"
                        zFract="0.69673533"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="11.34739"
                        xFract="0.37824633"
                        y3="14.82596"
                        yFract="0.49419867"
                        z3="20.83005"
                        zFract="0.694335"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="12.82528"
                        xFract="0.42750933"
                        y3="16.94687"
                        yFract="0.56489567"
                        z3="20.8894"
                        zFract="0.69631333"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="14.38873"
                        xFract="0.47962433"
                        y3="19.00383"
                        yFract="0.633461"
                        z3="20.82181"
                        zFract="0.69406033"/>
                  <atom elementType="Cu"
                        id="a66"
                        x3="16.8688"
                        xFract="0.56229333"
                        y3="18.2578"
                        yFract="0.60859333"
                        z3="20.88376"
                        zFract="0.69612533"/>
                  <atom elementType="Cu"
                        id="a67"
                        x3="19.31537"
                        xFract="0.64384567"
                        y3="17.40369"
                        yFract="0.580123"
                        z3="20.8226"
                        zFract="0.69408667"/>
                  <atom elementType="Cu"
                        id="a68"
                        x3="19.37078"
                        xFract="0.64569267"
                        y3="14.82203"
                        yFract="0.49406767"
                        z3="20.88834"
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               </bondArray>
               <formula concise="CCu147O">
                  <atomArray count="1 147 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">9369.272100000018</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
