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        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">
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         <module cmlx:templateRef="incar">
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         <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">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2024-04-09T20:23:52.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">14.541899</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">14.541899</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.0</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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                        id="a1"
                        x3="13.85647401"
                        xFract="0.95286551"
                        y3="0.33318195"
                        yFract="0.02291186"
                        z3="1.95296992"
                        zFract="0.08877136"/>
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                        id="a2"
                        x3="13.80320994"
                        xFract="0.94920271"
                        y3="11.23550001"
                        yFract="0.77262949"
                        z3="1.78521992"
                        zFract="0.08114636"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="13.85802897"
                        xFract="0.95297244"
                        y3="3.88404001"
                        yFract="0.26709304"
                        z3="2.0060601"
                        zFract="0.09118455"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="13.843353"
                        xFract="0.95196322"
                        y3="7.50636001"
                        yFract="0.51618843"
                        z3="1.74886008"
                        zFract="0.07949364"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="10.44590005"
                        xFract="0.71833122"
                        y3="0.30036394"
                        yFract="0.02065507"
                        z3="1.92486008"
                        zFract="0.08749364"/>
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                        id="a6"
                        x3="10.46070007"
                        xFract="0.71934897"
                        y3="11.23599996"
                        yFract="0.77266387"
                        z3="1.81953992"
                        zFract="0.08270636"/>
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                        id="a7"
                        x3="10.44350005"
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                        y3="3.82393005"
                        yFract="0.26295947"
                        z3="1.94046996"
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                        id="a8"
                        x3="10.3979"
                        xFract="0.71503041"
                        y3="7.47229998"
                        yFract="0.51384623"
                        z3="1.79942004"
                        zFract="0.08179182"/>
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                        id="a9"
                        x3="12.15159995"
                        xFract="0.83562676"
                        y3="13.06440004"
                        yFract="0.89839711"
                        z3="1.94059998"
                        zFract="0.08820909"/>
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                        id="a10"
                        x3="12.1704"
                        xFract="0.83691958"
                        y3="2.09633995"
                        yFract="0.14415861"
                        z3="2.05244006"
                        zFract="0.09329273"/>
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                        id="a11"
                        x3="12.16950001"
                        xFract="0.83685769"
                        y3="5.65076004"
                        yFract="0.38858474"
                        z3="1.93311998"
                        zFract="0.08786909"/>
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                        id="a12"
                        x3="12.13940002"
                        xFract="0.83478781"
                        y3="9.37167005"
                        yFract="0.64445985"
                        z3="1.80914008"
                        zFract="0.08223364"/>
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                        x3="1.02200001"
                        xFract="0.07027968"
                        y3="13.09730006"
                        yFract="0.90065954"
                        z3="1.73047996"
                        zFract="0.07865818"/>
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                        id="a14"
                        x3="1.06521999"
                        xFract="0.07325178"
                        y3="2.11172004"
                        yFract="0.14521625"
                        z3="1.7914501"
                        zFract="0.08142955"/>
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                        id="a15"
                        x3="1.03972004"
                        xFract="0.07149823"
                        y3="5.65706003"
                        yFract="0.38901797"
                        z3="1.73412998"
                        zFract="0.07882409"/>
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                        id="a16"
                        x3="1.00482006"
                        xFract="0.06909827"
                        y3="9.39646995"
                        yFract="0.64616526"
                        z3="1.60727996"
                        zFract="0.07305818"/>
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                        id="a17"
                        x3="2.91000006"
                        xFract="0.20011142"
                        y3="0.38461505"
                        yFract="0.02644875"
                        z3="1.55601996"
                        zFract="0.07072818"/>
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                        id="a18"
                        x3="2.86398004"
                        xFract="0.19694677"
                        y3="11.29809997"
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                        z3="1.54103004"
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                  <bond atomRefs2="a92 a122" order="S"/>
                  <bond atomRefs2="a92 a119" order="S"/>
                  <bond atomRefs2="a92 a96" order="S"/>
                  <bond atomRefs2="a93 a113" order="S"/>
                  <bond atomRefs2="a94 a105" order="S"/>
                  <bond atomRefs2="a94 a106" order="S"/>
                  <bond atomRefs2="a94 a131" order="S"/>
                  <bond atomRefs2="a95 a119" order="S"/>
                  <bond atomRefs2="a95 a122" order="S"/>
                  <bond atomRefs2="a96 a134" order="S"/>
                  <bond atomRefs2="a96 a113" order="S"/>
                  <bond atomRefs2="a96 a115" order="S"/>
                  <bond atomRefs2="a97 a124" order="S"/>
                  <bond atomRefs2="a97 a128" order="S"/>
                  <bond atomRefs2="a97 a133" order="S"/>
                  <bond atomRefs2="a97 a129" order="S"/>
                  <bond atomRefs2="a97 a102" order="S"/>
                  <bond atomRefs2="a98 a99" order="S"/>
                  <bond atomRefs2="a98 a115" order="S"/>
                  <bond atomRefs2="a98 a103" order="S"/>
                  <bond atomRefs2="a98 a125" order="S"/>
                  <bond atomRefs2="a98 a101" order="S"/>
                  <bond atomRefs2="a98 a114" order="S"/>
                  <bond atomRefs2="a99 a107" order="S"/>
                  <bond atomRefs2="a99 a109" order="S"/>
                  <bond atomRefs2="a99 a110" order="S"/>
                  <bond atomRefs2="a99 a100" order="S"/>
                  <bond atomRefs2="a100 a109" order="S"/>
                  <bond atomRefs2="a100 a103" order="S"/>
                  <bond atomRefs2="a100 a108" order="S"/>
                  <bond atomRefs2="a100 a126" order="S"/>
                  <bond atomRefs2="a101 a135" order="S"/>
                  <bond atomRefs2="a101 a121" order="S"/>
                  <bond atomRefs2="a101 a114" order="S"/>
                  <bond atomRefs2="a101 a120" order="S"/>
                  <bond atomRefs2="a101 a125" order="S"/>
                  <bond atomRefs2="a101 a102" order="S"/>
                  <bond atomRefs2="a102 a129" order="S"/>
                  <bond atomRefs2="a102 a125" order="S"/>
                  <bond atomRefs2="a102 a103" order="S"/>
                  <bond atomRefs2="a103 a123" order="S"/>
                  <bond atomRefs2="a103 a125" order="S"/>
                  <bond atomRefs2="a104 a130" order="S"/>
                  <bond atomRefs2="a104 a118" order="S"/>
                  <bond atomRefs2="a105 a118" order="S"/>
                  <bond atomRefs2="a105 a120" order="S"/>
                  <bond atomRefs2="a105 a106" order="S"/>
                  <bond atomRefs2="a105 a132" order="S"/>
                  <bond atomRefs2="a105 a129" order="S"/>
                  <bond atomRefs2="a105 a131" order="S"/>
                  <bond atomRefs2="a105 a122" order="S"/>
                  <bond atomRefs2="a106 a130" order="S"/>
                  <bond atomRefs2="a107 a109" order="S"/>
                  <bond atomRefs2="a107 a110" order="S"/>
                  <bond atomRefs2="a107 a113" order="S"/>
                  <bond atomRefs2="a108 a110" order="S"/>
                  <bond atomRefs2="a109 a110" order="S"/>
                  <bond atomRefs2="a109 a115" order="S"/>
                  <bond atomRefs2="a109 a123" order="S"/>
                  <bond atomRefs2="a111 a134" order="S"/>
                  <bond atomRefs2="a111 a113" order="S"/>
                  <bond atomRefs2="a111 a114" order="S"/>
                  <bond atomRefs2="a111 a127" order="S"/>
                  <bond atomRefs2="a111 a112" order="S"/>
                  <bond atomRefs2="a112 a134" order="S"/>
                  <bond atomRefs2="a112 a127" order="S"/>
                  <bond atomRefs2="a112 a121" order="S"/>
                  <bond atomRefs2="a112 a117" order="S"/>
                  <bond atomRefs2="a113 a114" order="S"/>
                  <bond atomRefs2="a113 a115" order="S"/>
                  <bond atomRefs2="a114 a119" order="S"/>
                  <bond atomRefs2="a114 a134" order="S"/>
                  <bond atomRefs2="a114 a121" order="S"/>
                  <bond atomRefs2="a114 a115" order="S"/>
                  <bond atomRefs2="a114 a125" order="S"/>
                  <bond atomRefs2="a115 a123" order="S"/>
                  <bond atomRefs2="a115 a125" order="S"/>
                  <bond atomRefs2="a116 a128" order="S"/>
                  <bond atomRefs2="a116 a126" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a117 a121" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a118 a130" order="S"/>
                  <bond atomRefs2="a118 a120" order="S"/>
                  <bond atomRefs2="a118 a132" order="S"/>
                  <bond atomRefs2="a118 a121" order="S"/>
                  <bond atomRefs2="a119 a134" order="S"/>
                  <bond atomRefs2="a119 a121" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a119 a125" order="S"/>
                  <bond atomRefs2="a119 a122" order="S"/>
                  <bond atomRefs2="a120 a132" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
                  <bond atomRefs2="a120 a129" order="S"/>
                  <bond atomRefs2="a120 a125" order="S"/>
                  <bond atomRefs2="a120 a122" order="S"/>
                  <bond atomRefs2="a122 a124" order="S"/>
                  <bond atomRefs2="a122 a129" order="S"/>
                  <bond atomRefs2="a122 a125" order="S"/>
                  <bond atomRefs2="a123 a124" order="S"/>
                  <bond atomRefs2="a123 a125" order="S"/>
                  <bond atomRefs2="a123 a126" order="S"/>
                  <bond atomRefs2="a124 a128" order="S"/>
                  <bond atomRefs2="a124 a126" order="S"/>
                  <bond atomRefs2="a127 a134" order="S"/>
                  <bond atomRefs2="a128 a133" order="S"/>
                  <bond atomRefs2="a129 a131" order="S"/>
                  <bond atomRefs2="a129 a133" order="S"/>
                  <bond atomRefs2="a130 a132" order="S"/>
                  <bond atomRefs2="a131 a133" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
               </bondArray>
               <formula concise="CCu134O">
                  <atomArray count="1 134 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">8543.174100000015</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</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">1484.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</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>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</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>
                  <array dictRef="cc:atomType" size="3">Cu C O</array>
               </module>
               <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>
                  <array dictRef="cc:atomType" size="3">Cu C O</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList/>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">14.541899</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">14.541899</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.0</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="13.856474"
                        xFract="0.95286551"
                        y3="0.333182"
                        yFract="0.02291186"
                        z3="1.95297"
                        zFract="0.08877136"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="13.80321"
                        xFract="0.94920271"
                        y3="11.2355"
                        yFract="0.77262949"
                        z3="1.78522"
                        zFract="0.08114636"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="13.858029"
                        xFract="0.95297244"
                        y3="3.88404"
                        yFract="0.26709304"
                        z3="2.00606"
                        zFract="0.09118455"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="13.843353"
                        xFract="0.95196322"
                        y3="7.50636"
                        yFract="0.51618843"
                        z3="1.74886"
                        zFract="0.07949364"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="10.4459"
                        xFract="0.71833122"
                        y3="0.300364"
                        yFract="0.02065507"
                        z3="1.92486"
                        zFract="0.08749364"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.4607"
                        xFract="0.71934897"
                        y3="11.2360"
                        yFract="0.77266387"
                        z3="1.81954"
                        zFract="0.08270636"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="10.4435"
                        xFract="0.71816618"
                        y3="3.82393"
                        yFract="0.26295947"
                        z3="1.94047"
                        zFract="0.08820318"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="10.3979"
                        xFract="0.71503041"
                        y3="7.4723"
                        yFract="0.51384623"
                        z3="1.79942"
                        zFract="0.08179182"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="12.1516"
                        xFract="0.83562676"
                        y3="13.0644"
                        yFract="0.89839711"
                        z3="1.9406"
                        zFract="0.08820909"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="12.1704"
                        xFract="0.83691958"
                        y3="2.09634"
                        yFract="0.14415861"
                        z3="2.05244"
                        zFract="0.09329273"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.1695"
                        xFract="0.83685769"
                        y3="5.65076"
                        yFract="0.38858474"
                        z3="1.93312"
                        zFract="0.08786909"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="12.1394"
                        xFract="0.83478781"
                        y3="9.37167"
                        yFract="0.64445985"
                        z3="1.80914"
                        zFract="0.08223364"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="1.0220"
                        xFract="0.07027968"
                        y3="13.0973"
                        yFract="0.90065954"
                        z3="1.73048"
                        zFract="0.07865818"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="1.06522"
                        xFract="0.07325178"
                        y3="2.11172"
                        yFract="0.14521625"
                        z3="1.79145"
                        zFract="0.08142955"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="1.03972"
                        xFract="0.07149823"
                        y3="5.65706"
                        yFract="0.38901797"
                        z3="1.73413"
                        zFract="0.07882409"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="1.00482"
                        xFract="0.06909827"
                        y3="9.39647"
                        yFract="0.64616526"
                        z3="1.60728"
                        zFract="0.07305818"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.9100"
                        xFract="0.20011142"
                        y3="0.384615"
                        yFract="0.02644875"
                        z3="1.55602"
                        zFract="0.07072818"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="2.86398"
                        xFract="0.19694677"
                        y3="11.2981"
                        yFract="0.77693429"
                        z3="1.54103"
                        zFract="0.07004682"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.94027"
                        xFract="0.20219299"
                        y3="3.82223"
                        yFract="0.26284256"
                        z3="1.59429"
                        zFract="0.07246773"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="2.90043"
                        xFract="0.19945332"
                        y3="7.51374"
                        yFract="0.51669593"
                        z3="1.53417"
                        zFract="0.069735"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="4.85907"
                        xFract="0.33414274"
                        y3="13.1184"
                        yFract="0.90211052"
                        z3="1.46688"
                        zFract="0.06667636"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.86846"
                        xFract="0.33478846"
                        y3="2.05808"
                        yFract="0.1415276"
                        z3="1.56123"
                        zFract="0.070965"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.88976"
                        xFract="0.33625319"
                        y3="5.60832"
                        yFract="0.38566627"
                        z3="1.49859"
                        zFract="0.06811773"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.86718"
                        xFract="0.33470044"
                        y3="9.3829"
                        yFract="0.6452321"
                        z3="1.48116"
                        zFract="0.06732545"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.79439"
                        xFract="0.46722852"
                        y3="0.282641"
                        yFract="0.01943632"
                        z3="1.57952"
                        zFract="0.07179636"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.84151"
                        xFract="0.47046882"
                        y3="11.2471"
                        yFract="0.77342718"
                        z3="1.53502"
                        zFract="0.06977364"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.78004"
                        xFract="0.46624172"
                        y3="3.80464"
                        yFract="0.26163295"
                        z3="1.63086"
                        zFract="0.07413"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.83166"
                        xFract="0.46979146"
                        y3="7.46278"
                        yFract="0.51319157"
                        z3="1.51119"
                        zFract="0.06869045"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="8.68461"
                        xFract="0.59721292"
                        y3="13.0532"
                        yFract="0.89762692"
                        z3="1.71719"
                        zFract="0.07805409"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="8.64112"
                        xFract="0.59422225"
                        y3="2.02373"
                        yFract="0.13916546"
                        z3="1.77101"
                        zFract="0.08050045"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.64445"
                        xFract="0.59445125"
                        y3="5.60497"
                        yFract="0.3854359"
                        z3="1.74518"
                        zFract="0.07932636"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.70014"
                        xFract="0.59828087"
                        y3="9.37151"
                        yFract="0.64444884"
                        z3="1.6369"
                        zFract="0.07440455"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="13.922438"
                        xFract="0.95740164"
                        y3="13.0222"
                        yFract="0.89549515"
                        z3="3.70944"
                        zFract="0.16861091"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="13.981479"
                        xFract="0.9614617"
                        y3="2.12069"
                        yFract="0.14583309"
                        z3="3.83274"
                        zFract="0.17421545"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="13.910829"
                        xFract="0.95660333"
                        y3="5.76319"
                        yFract="0.39631619"
                        z3="3.79667"
                        zFract="0.17257591"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="13.96668"
                        xFract="0.96044402"
                        y3="9.36642"
                        yFract="0.64409882"
                        z3="3.60299"
                        zFract="0.16377227"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="10.3519"
                        xFract="0.71186714"
                        y3="13.0082"
                        yFract="0.89453241"
                        z3="3.69963"
                        zFract="0.168165"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="10.3355"
                        xFract="0.71073936"
                        y3="2.03236"
                        yFract="0.13975891"
                        z3="3.75204"
                        zFract="0.17054727"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.3917"
                        xFract="0.71460406"
                        y3="5.63973"
                        yFract="0.38782624"
                        z3="3.63376"
                        zFract="0.16517091"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="10.3364"
                        xFract="0.71080125"
                        y3="9.37156"
                        yFract="0.64445228"
                        z3="3.5500"
                        zFract="0.16136364"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="12.1531"
                        xFract="0.83572991"
                        y3="0.290022"
                        yFract="0.01994389"
                        z3="3.85729"
                        zFract="0.17533136"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="12.1628"
                        xFract="0.83639695"
                        y3="11.1660"
                        yFract="0.7678502"
                        z3="3.71094"
                        zFract="0.16867909"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="12.1921"
                        xFract="0.83841182"
                        y3="3.90933"
                        yFract="0.26883215"
                        z3="3.93818"
                        zFract="0.17900818"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="12.1528"
                        xFract="0.83570928"
                        y3="7.57435"
                        yFract="0.52086388"
                        z3="3.54804"
                        zFract="0.16127455"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.21758"
                        xFract="0.08372909"
                        y3="0.351834"
                        yFract="0.0241945"
                        z3="3.58493"
                        zFract="0.16295136"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="1.08322"
                        xFract="0.07448958"
                        y3="11.2084"
                        yFract="0.77076591"
                        z3="3.40581"
                        zFract="0.15480955"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="1.24722"
                        xFract="0.08576734"
                        y3="3.90211"
                        yFract="0.26833566"
                        z3="3.55003"
                        zFract="0.161365"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.14122"
                        xFract="0.07847806"
                        y3="7.56256"
                        yFract="0.52005312"
                        z3="3.35399"
                        zFract="0.15245409"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="2.99781"
                        xFract="0.20614983"
                        y3="13.1488"
                        yFract="0.90420103"
                        z3="3.21014"
                        zFract="0.14591545"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="3.02764"
                        xFract="0.20820114"
                        y3="2.07702"
                        yFract="0.14283004"
                        z3="3.39068"
                        zFract="0.15412182"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="3.01844"
                        xFract="0.20756849"
                        y3="5.67996"
                        yFract="0.39059273"
                        z3="3.2139"
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                  <bond atomRefs2="a111 a127" order="S"/>
                  <bond atomRefs2="a111 a112" order="S"/>
                  <bond atomRefs2="a112 a134" order="S"/>
                  <bond atomRefs2="a112 a127" order="S"/>
                  <bond atomRefs2="a112 a121" order="S"/>
                  <bond atomRefs2="a112 a117" order="S"/>
                  <bond atomRefs2="a113 a114" order="S"/>
                  <bond atomRefs2="a113 a115" order="S"/>
                  <bond atomRefs2="a114 a119" order="S"/>
                  <bond atomRefs2="a114 a134" order="S"/>
                  <bond atomRefs2="a114 a121" order="S"/>
                  <bond atomRefs2="a114 a115" order="S"/>
                  <bond atomRefs2="a114 a125" order="S"/>
                  <bond atomRefs2="a115 a123" order="S"/>
                  <bond atomRefs2="a115 a125" order="S"/>
                  <bond atomRefs2="a116 a128" order="S"/>
                  <bond atomRefs2="a116 a126" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a117 a121" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a118 a130" order="S"/>
                  <bond atomRefs2="a118 a120" order="S"/>
                  <bond atomRefs2="a118 a132" order="S"/>
                  <bond atomRefs2="a118 a121" order="S"/>
                  <bond atomRefs2="a119 a134" order="S"/>
                  <bond atomRefs2="a119 a121" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a119 a125" order="S"/>
                  <bond atomRefs2="a119 a122" order="S"/>
                  <bond atomRefs2="a120 a132" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
                  <bond atomRefs2="a120 a129" order="S"/>
                  <bond atomRefs2="a120 a125" order="S"/>
                  <bond atomRefs2="a120 a122" order="S"/>
                  <bond atomRefs2="a122 a124" order="S"/>
                  <bond atomRefs2="a122 a129" order="S"/>
                  <bond atomRefs2="a122 a125" order="S"/>
                  <bond atomRefs2="a123 a124" order="S"/>
                  <bond atomRefs2="a123 a125" order="S"/>
                  <bond atomRefs2="a123 a126" order="S"/>
                  <bond atomRefs2="a124 a128" order="S"/>
                  <bond atomRefs2="a124 a126" order="S"/>
                  <bond atomRefs2="a127 a134" order="S"/>
                  <bond atomRefs2="a128 a133" order="S"/>
                  <bond atomRefs2="a129 a131" order="S"/>
                  <bond atomRefs2="a129 a133" order="S"/>
                  <bond atomRefs2="a130 a132" order="S"/>
                  <bond atomRefs2="a131 a133" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
               </bondArray>
               <formula concise="CCu134O">
                  <atomArray count="1 134 1" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">8543.174100000015</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
