<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
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        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">
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         <module dictRef="cc:environment" id="environment">
            <parameterList>
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               </parameter>
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         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</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">50.77</scalar>
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                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a22 a68" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a23 a69" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a36 a70" order="S"/>
                  <bond atomRefs2="a37 a70" order="S"/>
                  <bond atomRefs2="a39 a62" order="S"/>
                  <bond atomRefs2="a39 a73" order="S"/>
                  <bond atomRefs2="a40 a71" order="S"/>
                  <bond atomRefs2="a41 a73" order="S"/>
                  <bond atomRefs2="a42 a73" order="S"/>
                  <bond atomRefs2="a43 a73" order="S"/>
                  <bond atomRefs2="a44 a71" order="S"/>
                  <bond atomRefs2="a44 a68" order="S"/>
                  <bond atomRefs2="a46 a70" order="S"/>
                  <bond atomRefs2="a47 a74" order="S"/>
                  <bond atomRefs2="a49 a72" order="S"/>
                  <bond atomRefs2="a51 a66" order="S"/>
                  <bond atomRefs2="a53 a65" order="S"/>
                  <bond atomRefs2="a54 a62" order="S"/>
                  <bond atomRefs2="a55 a75" order="S"/>
                  <bond atomRefs2="a56 a75" order="S"/>
                  <bond atomRefs2="a57 a75" order="S"/>
                  <bond atomRefs2="a58 a72" order="S"/>
                  <bond atomRefs2="a60 a74" order="S"/>
               </bondArray>
               <formula concise="Cu60O15">
                  <atomArray count="60 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4052.7509999999984</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.15O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75/rA:75CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4O4OO4O1O1O3O3O4O3O4O4OO3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s16s18;s5s27s39s54;s3s21s22s31;s12s18;s5s6s7s53;s51;s1;s22s25s44;s2s21s23;s1s36s37s46;s34s40s44;s34s35s49s58;s39s41s42s43;s47s60;s55s56s57;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</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-05</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">0.3000</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">750.0000</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="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">60 15</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</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="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="4560">-22.2025 -22.1025 -22.0266 -21.9893 -21.9638 -21.4153 -21.2085 -21.1528 -21.0134 -20.7844 -20.6773 -20.4121 -20.2566 -19.5884 -19.0667 -9.4094 -9.1496 -9.0419 -9.0186 -8.9976 -8.9440 -8.9340 -8.8668 -8.8072 -8.7650 -8.7023 -8.6790 -8.6557 -8.6301 -8.6034 -8.5898 -8.4921 -8.4731 -8.3781 -8.2212 -8.1543 -8.0752 -8.0326 -7.9384 -7.7930 -7.7380 -7.6719 -7.6414 -7.5947 -7.5472 -7.5030 -7.4299 -7.4104 -7.3100 -7.2569 -7.2247 -7.2044 -7.1096 -7.0670 -7.0139 -6.9103 -6.7833 -6.7388 -6.5588 -6.5124 -6.4422 -6.4199 -6.3148 -6.2599 -6.1230 -6.1008 -6.0696 -6.0148 -5.9593 -5.9154 -5.8890 -5.8455 -5.8079 -5.7758 -5.7566 -5.7233 -5.6929 -5.6580 -5.6542 -5.6328 -5.6120 -5.5794 -5.5753 -5.5692 -5.5579 -5.5414 -5.5313 -5.4939 -5.4700 -5.4587 -5.4317 -5.4185 -5.4034 -5.3974 -5.3829 -5.3662 -5.3558 -5.3494 -5.3459 -5.3222 -5.3135 -5.2954 -5.2792 -5.2670 -5.2455 -5.2400 -5.2191 -5.2075 -5.2023 -5.1847 -5.1787 -5.1653 -5.1550 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1.445021 -0.968900 0.180910 0.713409 1.565940 -0.668864 -0.087914 0.341270 1.156574 -0.598144 0.174781 -0.255957 -0.310221 0.152673 0.376712 0.855254 1.494473 -0.228295 -0.083946 0.078003 -0.200513 -0.111731 0.249746 0.201662 -0.131984 0.145653 0.637130 0.040422 -0.089717 -0.117236 -0.373785 0.251947 1.669077 1.015773 -1.014225 0.891157 -0.004019 0.038492 -0.148847 -0.172819 -0.046154 0.148044 -1.547164 -0.515760 -0.252652 -1.503669 1.042331 -0.187908 -0.576629 -1.388351 0.701033 -0.091740 -0.173711 -0.661771 0.156140 0.606484 -0.137846 0.046750 0.226972 -0.229654 0.860703 1.213389 0.573153 -0.405527 -0.479012 -0.321601 0.018605 0.201034 -0.099808 -0.050413 -0.131969 -0.228719 0.271933 -0.118263 -0.123680 -0.233954 -0.308780 -0.060273 -0.039336 0.176349 -0.161612 -0.046315 -0.163559 -0.150858 1.633861 -0.877693 0.119321 0.248112 -0.447591 -0.401494 -0.105726 -0.264710 -0.395281 0.145091 0.113506 0.343424 0.018640 0.037166 -0.076186 0.052584 -0.000385 -0.192731 -0.100387 -0.809462 -0.002355 -0.212297 0.207479 0.124895 -0.452353 -0.295010 -0.271418 0.291044 0.077528 -0.336442 -0.190119 -0.178768 -0.112893 0.220932 0.203963 0.416118 0.139547 0.023628 -0.361326 0.551489 -0.552761 1.326286 -0.465269 -0.090311 -0.087821 0.157947 -0.097643 0.122844 -0.349693 -0.008081 -0.895008 -0.112399 0.513624 0.139558 0.069585 0.416388 -0.010456 0.587777 0.170021 0.414373 0.375079 1.176179 -0.441907 0.004475 0.050459 -0.202667</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">-289.92843431</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-289.92001050</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-289.92422241</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.5172</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3681663E+00</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.60407997</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.148307014121546</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</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">50.77</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.26517"
                        xFract="0.16699574"
                        y3="0.80996"
                        yFract="0.08607404"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.43658"
                        xFract="0.20208871"
                        y3="7.95558"
                        yFract="0.84543547"
                        z3="8.03054"
                        zFract="0.25170646"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.1068"
                        xFract="0.16699545"
                        y3="5.51498"
                        yFract="0.58607414"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.91984"
                        xFract="0.47563404"
                        y3="7.77935"
                        yFract="0.82670759"
                        z3="8.93295"
                        zFract="0.27999129"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.0965"
                        xFract="0.50926142"
                        y3="5.15068"
                        yFract="0.54736016"
                        z3="8.98572"
                        zFract="0.2816453"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.35457"
                        xFract="0.53766469"
                        y3="6.3574"
                        yFract="0.67559769"
                        z3="11.18289"
                        zFract="0.35051263"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.94328"
                        xFract="0.15845688"
                        y3="6.63989"
                        yFract="0.70561776"
                        z3="10.79277"
                        zFract="0.33828485"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.74684"
                        xFract="0.49844321"
                        y3="8.52392"
                        yFract="0.90583267"
                        z3="11.35159"
                        zFract="0.35580031"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.27596"
                        xFract="0.1903979"
                        y3="9.12112"
                        yFract="0.96929681"
                        z3="10.3659"
                        zFract="0.32490518"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.16551"
                        xFract="0.20505989"
                        y3="5.13915"
                        yFract="0.54613487"
                        z3="12.79935"
                        zFract="0.40117839"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.80808"
                        xFract="0.85527647"
                        y3="5.6264"
                        yFract="0.59791469"
                        z3="11.98535"
                        zFract="0.37566466"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.41915"
                        xFract="0.81613315"
                        y3="6.83523"
                        yFract="0.72637644"
                        z3="9.81137"
                        zFract="0.30752418"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.54161"
                        xFract="0.25898497"
                        y3="7.41497"
                        yFract="0.78798512"
                        z3="12.85888"
                        zFract="0.40304428"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.58617"
                        xFract="0.79166627"
                        y3="4.87809"
                        yFract="0.51839216"
                        z3="13.98773"
                        zFract="0.43842656"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.18755"
                        xFract="0.52571474"
                        y3="5.06866"
                        yFract="0.53864394"
                        z3="13.36927"
                        zFract="0.41904177"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.32275"
                        xFract="0.80222839"
                        y3="6.88072"
                        yFract="0.73121064"
                        z3="13.96861"
                        zFract="0.43782727"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.9673"
                        xFract="0.52515957"
                        y3="7.25493"
                        yFract="0.77097775"
                        z3="13.37722"
                        zFract="0.41929095"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.72493"
                        xFract="0.82886486"
                        y3="8.28472"
                        yFract="0.88041301"
                        z3="12.37699"
                        zFract="0.38794009"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.82966"
                        xFract="0.83366296"
                        y3="5.90706"
                        yFract="0.62774028"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.07349"
                        xFract="0.88234073"
                        y3="4.40837"
                        yFract="0.46847525"
                        z3="9.84138"
                        zFract="0.30846481"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.06721"
                        xFract="0.16699607"
                        y3="6.69123"
                        yFract="0.71107363"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.98803"
                        xFract="0.50032984"
                        y3="5.12289"
                        yFract="0.54440693"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.69604"
                        xFract="0.1325313"
                        y3="5.41729"
                        yFract="0.57569267"
                        z3="8.1520"
                        zFract="0.25551346"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.86925"
                        xFract="0.50032894"
                        y3="8.65166"
                        yFract="0.91940754"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.86925"
                        xFract="0.83366234"
                        y3="4.73081"
                        yFract="0.50274079"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="8.98803"
                        xFract="0.16699644"
                        y3="9.04374"
                        yFract="0.96107368"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.94843"
                        xFract="0.50032857"
                        y3="6.29915"
                        yFract="0.66940749"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.90884"
                        xFract="0.50032918"
                        y3="7.4754"
                        yFract="0.79440698"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.75047"
                        xFract="0.83366229"
                        y3="8.25957"
                        yFract="0.87774033"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.79007"
                        xFract="0.83366272"
                        y3="7.08332"
                        yFract="0.75274084"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.02762"
                        xFract="0.16699583"
                        y3="7.86749"
                        yFract="0.83607419"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.42199"
                        xFract="0.19589462"
                        y3="0.6621"
                        yFract="0.07036103"
                        z3="8.07843"
                        zFract="0.25320751"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="11.13004"
                        xFract="0.88148586"
                        y3="3.26294"
                        yFract="0.34675099"
                        z3="12.03867"
                        zFract="0.3773359"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.98803"
                        xFract="0.83366239"
                        y3="1.20205"
                        yFract="0.12774125"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="7.99026"
                        xFract="0.82171059"
                        y3="0.12062"
                        yFract="0.01281823"
                        z3="9.8774"
                        zFract="0.3095938"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.22558"
                        xFract="0.1669955"
                        y3="1.98622"
                        yFract="0.2110746"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.14639"
                        xFract="0.50032824"
                        y3="0.41788"
                        yFract="0.0444079"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.00705"
                        xFract="0.47469128"
                        y3="0.54878"
                        yFract="0.05831857"
                        z3="13.45351"
                        zFract="0.42168216"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.02762"
                        xFract="0.50032923"
                        y3="3.94664"
                        yFract="0.41940744"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.02762"
                        xFract="0.83366263"
                        y3="0.02579"
                        yFract="0.00274069"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.14639"
                        xFract="0.16699569"
                        y3="4.33872"
                        yFract="0.46107358"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.1068"
                        xFract="0.50032885"
                        y3="1.59413"
                        yFract="0.16940739"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.06721"
                        xFract="0.50032862"
                        y3="2.77039"
                        yFract="0.29440795"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.94843"
                        xFract="0.83366197"
                        y3="2.3783"
                        yFract="0.25274074"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.26764"
                        xFract="0.53710769"
                        y3="2.58325"
                        yFract="0.27452067"
                        z3="13.49191"
                        zFract="0.42288575"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.18599"
                        xFract="0.16699612"
                        y3="3.16247"
                        yFract="0.33607409"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.82183"
                        xFract="0.77354893"
                        y3="0.48084"
                        yFract="0.05109862"
                        z3="14.63002"
                        zFract="0.45855828"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.04096"
                        xFract="0.16455151"
                        y3="3.0136"
                        yFract="0.32025375"
                        z3="12.78339"
                        zFract="0.40067815"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.30233"
                        xFract="0.8738418"
                        y3="2.33912"
                        yFract="0.2485771"
                        z3="9.81296"
                        zFract="0.30757402"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.15211"
                        xFract="0.83757193"
                        y3="1.35702"
                        yFract="0.14420983"
                        z3="12.3473"
                        zFract="0.38700949"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.59603"
                        xFract="0.19092585"
                        y3="0.9337"
                        yFract="0.09922383"
                        z3="12.7336"
                        zFract="0.39911755"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.03098"
                        xFract="0.16729428"
                        y3="4.19386"
                        yFract="0.44567938"
                        z3="10.48706"
                        zFract="0.32870278"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="7.84169"
                        xFract="0.49121498"
                        y3="3.82613"
                        yFract="0.4066009"
                        z3="11.49583"
                        zFract="0.36032131"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.90884"
                        xFract="0.83366173"
                        y3="3.55456"
                        yFract="0.3777413"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.17679"
                        xFract="0.15251775"
                        y3="2.09676"
                        yFract="0.22282163"
                        z3="10.50294"
                        zFract="0.32920051"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.97717"
                        xFract="0.45004351"
                        y3="2.02685"
                        yFract="0.21539233"
                        z3="11.50914"
                        zFract="0.3607385"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.0315"
                        xFract="0.49240726"
                        y3="0.37034"
                        yFract="0.03935584"
                        z3="8.4490"
                        zFract="0.26482253"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="6.74596"
                        xFract="0.46104892"
                        y3="2.83897"
                        yFract="0.30169591"
                        z3="9.06191"
                        zFract="0.28403337"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="3.99848"
                        xFract="0.13444008"
                        y3="3.31576"
                        yFract="0.35236414"
                        z3="8.08604"
                        zFract="0.25344604"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.85781"
                        xFract="0.77744146"
                        y3="2.92861"
                        yFract="0.31122191"
                        z3="14.2711"
                        zFract="0.44730842"/>
                  <atom elementType="O"
                        id="a61"
                        x3="14.13441"
                        xFract="0.73180542"
                        y3="8.70315"
                        yFract="0.92487935"
                        z3="14.09533"
                        zFract="0.44179914"/>
                  <atom elementType="O"
                        id="a62"
                        x3="9.46823"
                        xFract="0.58366234"
                        y3="4.73081"
                        yFract="0.50274079"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="O"
                        id="a63"
                        x3="7.54741"
                        xFract="0.25032857"
                        y3="6.29915"
                        yFract="0.66940749"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="O"
                        id="a64"
                        x3="15.14547"
                        xFract="0.90675906"
                        y3="7.88354"
                        yFract="0.83777981"
                        z3="10.60541"
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                        yFract="0.00274069"
                        z3="2.0000"
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                        zFract="0.17260668"/>
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                        z3="9.01757"
                        zFract="0.28264359"/>
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                        x3="6.58701"
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                        yFract="0.33607409"
                        z3="5.50691"
                        zFract="0.17260668"/>
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                        y3="1.40878"
                        yFract="0.14971034"
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                        zFract="0.47661128"/>
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                        zFract="0.32588498"/>
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                  <bond atomRefs2="a7 a65" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a10 a53" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a16" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a15 a60" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a61" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a22 a68" order="S"/>
                  <bond atomRefs2="a23 a69" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a32 a57" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a36 a70" order="S"/>
                  <bond atomRefs2="a37 a70" order="S"/>
                  <bond atomRefs2="a38 a56" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a39 a73" order="S"/>
                  <bond atomRefs2="a39 a62" order="S"/>
                  <bond atomRefs2="a40 a71" order="S"/>
                  <bond atomRefs2="a41 a73" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a42 a73" order="S"/>
                  <bond atomRefs2="a43 a73" order="S"/>
                  <bond atomRefs2="a44 a68" order="S"/>
                  <bond atomRefs2="a44 a71" order="S"/>
                  <bond atomRefs2="a45 a50" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a56" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a46 a70" order="S"/>
                  <bond atomRefs2="a47 a74" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a51" order="S"/>
                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a49 a72" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a66" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a56" order="S"/>
                  <bond atomRefs2="a53 a65" order="S"/>
                  <bond atomRefs2="a54 a62" order="S"/>
                  <bond atomRefs2="a55 a75" order="S"/>
                  <bond atomRefs2="a56 a75" order="S"/>
                  <bond atomRefs2="a57 a75" order="S"/>
                  <bond atomRefs2="a58 a72" order="S"/>
                  <bond atomRefs2="a60 a74" order="S"/>
               </bondArray>
               <formula concise="Cu60O15">
                  <atomArray count="60 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4052.7509999999984</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.15O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75/rA:75CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4O4OO4O1O1O3O3O4O3O4O4OO3/rB:;;s2;;;;s4s6;s4;s7;s6;s11;s6;s11;s13s14;s11s14;s6s8s13s14s16;s16;;s11;;;;;;;;;;;;;s14s20;;;;;;;;;;;;;;s45;;s33;s45;s38s48;;s10s15s45;;s48s51;s38s45s48s52s53;s32s42;s52;;s14s15s33s50;s16s18;s5s27s39s54;s3s21s22s31;s12s18;s5s6s7s53;s51;s1;s22s25s44;s2s21s23;s1s36s37s46;s34s40s44;s34s35s49s58;s39s41s42s43;s47s60;s55s56s57;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
