<?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">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T22:08:22.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <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="2.31235768"
                        xFract="0.16835145"
                        y3="0.85180625"
                        yFract="0.09052102"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.07480566"
                        xFract="0.16835145"
                        y3="7.90933486"
                        yFract="0.84052102"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.15398967"
                        xFract="0.16835145"
                        y3="5.55682533"
                        yFract="0.59052102"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.9560296"
                        xFract="0.50168478"
                        y3="7.51724991"
                        yFract="0.79885435"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.0352136"
                        xFract="0.50168478"
                        y3="5.16474037"
                        yFract="0.54885435"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.9956216"
                        xFract="0.50168478"
                        y3="6.34099514"
                        yFract="0.67385435"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.11439767"
                        xFract="0.16835145"
                        y3="6.7330801"
                        yFract="0.71552102"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.91643759"
                        xFract="0.50168478"
                        y3="8.69350468"
                        yFract="0.92385435"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.03521366"
                        xFract="0.16835145"
                        y3="9.08558963"
                        yFract="0.96552102"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.15398967"
                        xFract="0.16835145"
                        y3="5.55682533"
                        yFract="0.59052102"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.87684553"
                        xFract="0.83501811"
                        y3="5.94891019"
                        yFract="0.63218768"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.83725353"
                        xFract="0.83501811"
                        y3="7.12516496"
                        yFract="0.75718768"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.07480566"
                        xFract="0.16835145"
                        y3="7.90933486"
                        yFract="0.84052102"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.91643754"
                        xFract="0.83501811"
                        y3="4.77265542"
                        yFract="0.50718768"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.0352136"
                        xFract="0.50168478"
                        y3="5.16474037"
                        yFract="0.54885435"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.83725353"
                        xFract="0.83501811"
                        y3="7.12516496"
                        yFract="0.75718768"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.9560296"
                        xFract="0.50168478"
                        y3="7.51724991"
                        yFract="0.79885435"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.79766153"
                        xFract="0.83501811"
                        y3="8.30141972"
                        yFract="0.88218768"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.87684553"
                        xFract="0.83501811"
                        y3="5.94891019"
                        yFract="0.63218768"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.91643754"
                        xFract="0.83501811"
                        y3="4.77265542"
                        yFract="0.50718768"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.11439767"
                        xFract="0.16835145"
                        y3="6.7330801"
                        yFract="0.71552102"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.0352136"
                        xFract="0.50168478"
                        y3="5.16474037"
                        yFract="0.54885435"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.15398967"
                        xFract="0.16835145"
                        y3="5.55682533"
                        yFract="0.59052102"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.91643759"
                        xFract="0.50168478"
                        y3="8.69350468"
                        yFract="0.92385435"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.91643754"
                        xFract="0.83501811"
                        y3="4.77265542"
                        yFract="0.50718768"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.03521366"
                        xFract="0.16835145"
                        y3="9.08558963"
                        yFract="0.96552102"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.9956216"
                        xFract="0.50168478"
                        y3="6.34099514"
                        yFract="0.67385435"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.9560296"
                        xFract="0.50168478"
                        y3="7.51724991"
                        yFract="0.79885435"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.79766153"
                        xFract="0.83501811"
                        y3="8.30141972"
                        yFract="0.88218768"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.83725353"
                        xFract="0.83501811"
                        y3="7.12516496"
                        yFract="0.75718768"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.07480566"
                        xFract="0.16835145"
                        y3="7.90933486"
                        yFract="0.84052102"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.31235768"
                        xFract="0.16835145"
                        y3="0.85180625"
                        yFract="0.09052102"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.95602954"
                        xFract="0.83501811"
                        y3="3.59640065"
                        yFract="0.38218768"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.03521354"
                        xFract="0.83501811"
                        y3="1.24389111"
                        yFract="0.13218768"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.07480555"
                        xFract="0.83501811"
                        y3="0.06763634"
                        yFract="0.00718768"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.27276568"
                        xFract="0.16835145"
                        y3="2.02806102"
                        yFract="0.21552102"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.19358161"
                        xFract="0.50168478"
                        y3="0.4597213"
                        yFract="0.04885435"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.19358161"
                        xFract="0.50168478"
                        y3="0.4597213"
                        yFract="0.04885435"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.07480561"
                        xFract="0.50168478"
                        y3="3.9884856"
                        yFract="0.42385435"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.07480555"
                        xFract="0.83501811"
                        y3="0.06763634"
                        yFract="0.00718768"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.19358167"
                        xFract="0.16835145"
                        y3="4.38057056"
                        yFract="0.46552102"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.15398961"
                        xFract="0.50168478"
                        y3="1.63597607"
                        yFract="0.17385435"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.11439761"
                        xFract="0.50168478"
                        y3="2.81223083"
                        yFract="0.29885435"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.99562154"
                        xFract="0.83501811"
                        y3="2.42014588"
                        yFract="0.25718768"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.11439761"
                        xFract="0.50168478"
                        y3="2.81223083"
                        yFract="0.29885435"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.23317367"
                        xFract="0.16835145"
                        y3="3.20431579"
                        yFract="0.34052102"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.07480555"
                        xFract="0.83501811"
                        y3="0.06763634"
                        yFract="0.00718768"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.23317367"
                        xFract="0.16835145"
                        y3="3.20431579"
                        yFract="0.34052102"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.99562154"
                        xFract="0.83501811"
                        y3="2.42014588"
                        yFract="0.25718768"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.03521354"
                        xFract="0.83501811"
                        y3="1.24389111"
                        yFract="0.13218768"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.31235768"
                        xFract="0.16835145"
                        y3="0.85180625"
                        yFract="0.09052102"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.19358167"
                        xFract="0.16835145"
                        y3="4.38057056"
                        yFract="0.46552102"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="8.07480561"
                        xFract="0.50168478"
                        y3="3.9884856"
                        yFract="0.42385435"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.95602954"
                        xFract="0.83501811"
                        y3="3.59640065"
                        yFract="0.38218768"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.27276568"
                        xFract="0.16835145"
                        y3="2.02806102"
                        yFract="0.21552102"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="6.15398961"
                        xFract="0.50168478"
                        y3="1.63597607"
                        yFract="0.17385435"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.19358161"
                        xFract="0.50168478"
                        y3="0.4597213"
                        yFract="0.04885435"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="7.11439761"
                        xFract="0.50168478"
                        y3="2.81223083"
                        yFract="0.29885435"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.23317367"
                        xFract="0.16835145"
                        y3="3.20431579"
                        yFract="0.34052102"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.99562154"
                        xFract="0.83501811"
                        y3="2.42014588"
                        yFract="0.25718768"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="O"
                        id="a61"
                        x3="4.71337756"
                        xFract="0.08501811"
                        y3="4.77265542"
                        yFract="0.50718768"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="O"
                        id="a62"
                        x3="9.51541754"
                        xFract="0.58501811"
                        y3="4.77265542"
                        yFract="0.50718768"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a63"
                        x3="7.59460161"
                        xFract="0.25168478"
                        y3="6.34099514"
                        yFract="0.67385435"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a64"
                        x3="15.27786564"
                        xFract="0.91835145"
                        y3="7.90933486"
                        yFract="0.84052102"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a65"
                        x3="8.55500966"
                        xFract="0.41835145"
                        y3="5.55682533"
                        yFract="0.59052102"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a66"
                        x3="10.4758256"
                        xFract="0.75168478"
                        y3="3.9884856"
                        yFract="0.42385435"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a67"
                        x3="3.75296962"
                        xFract="0.25168478"
                        y3="1.63597607"
                        yFract="0.17385435"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a68"
                        x3="8.5550096"
                        xFract="0.75168478"
                        y3="1.63597607"
                        yFract="0.17385435"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a69"
                        x3="9.51541766"
                        xFract="0.91835145"
                        y3="0.85180625"
                        yFract="0.09052102"
                        z3="16.02765668"
                        zFract="0.50236532"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a67" order="S"/>
                  <bond atomRefs2="a3 a61" order="S"/>
                  <bond atomRefs2="a3 a63" order="S"/>
                  <bond atomRefs2="a5 a62" order="S"/>
                  <bond atomRefs2="a5 a65" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a7 a65" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a22 a66" order="S"/>
                  <bond atomRefs2="a25 a66" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a34 a68" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a37 a67" order="S"/>
                  <bond atomRefs2="a39 a62" order="S"/>
                  <bond atomRefs2="a44 a66" order="S"/>
                  <bond atomRefs2="a46 a67" order="S"/>
                  <bond atomRefs2="a46 a61" order="S"/>
                  <bond atomRefs2="a47 a69" order="S"/>
                  <bond atomRefs2="a49 a68" order="S"/>
                  <bond atomRefs2="a53 a65" order="S"/>
                  <bond atomRefs2="a54 a62" order="S"/>
                  <bond atomRefs2="a58 a68" order="S"/>
                  <bond atomRefs2="a60 a69" order="S"/>
               </bondArray>
               <formula concise="Cu60O9">
                  <atomArray count="60 9" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3956.7545999999975</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.9O">
                  <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/rA:69CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4O4OO4O3O4O4O/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s3s46;s5s27s39s54;s3s21s22s31;s12s18;s5s6s7s53;s22s25s44;s1s36s37s46;s34s35s49s58;s47s60;/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">714.0000</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 9</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>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-247.74447198</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-247.73549435</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-247.73998317</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.5267</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5916264E+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="2.31236"
                        xFract="0.16835137"
                        y3="0.85181"
                        yFract="0.09052142"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.79474"
                        xFract="0.11894769"
                        y3="8.14744"
                        yFract="0.86582433"
                        z3="7.39516"
                        zFract="0.23179133"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.15399"
                        xFract="0.16835109"
                        y3="5.55683"
                        yFract="0.59052152"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.14056"
                        xFract="0.47888977"
                        y3="8.01138"
                        yFract="0.85136531"
                        z3="8.73194"
                        zFract="0.2736909"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.1077"
                        xFract="0.49789119"
                        y3="5.29814"
                        yFract="0.56303066"
                        z3="8.92493"
                        zFract="0.27973991"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.37004"
                        xFract="0.51774356"
                        y3="6.61067"
                        yFract="0.70251256"
                        z3="10.81914"
                        zFract="0.33911138"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.0472"
                        xFract="0.16419335"
                        y3="6.69969"
                        yFract="0.71197267"
                        z3="10.76296"
                        zFract="0.33735049"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.79933"
                        xFract="0.46970002"
                        y3="8.9263"
                        yFract="0.94859339"
                        z3="10.98144"
                        zFract="0.34419845"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.40597"
                        xFract="0.1913653"
                        y3="9.26897"
                        yFract="0.98500876"
                        z3="10.12769"
                        zFract="0.31743881"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.64476"
                        xFract="0.16166063"
                        y3="5.01185"
                        yFract="0.53260677"
                        z3="12.1941"
                        zFract="0.38220765"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.93011"
                        xFract="0.85763698"
                        y3="5.74809"
                        yFract="0.61084662"
                        z3="11.55258"
                        zFract="0.36210007"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.4375"
                        xFract="0.81960214"
                        y3="6.8169"
                        yFract="0.72442852"
                        z3="9.46987"
                        zFract="0.29682033"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.56277"
                        xFract="0.17363914"
                        y3="8.44477"
                        yFract="0.89742144"
                        z3="12.24391"
                        zFract="0.38376887"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.67441"
                        xFract="0.78484645"
                        y3="5.06638"
                        yFract="0.53840164"
                        z3="13.46661"
                        zFract="0.42209276"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.38168"
                        xFract="0.56734091"
                        y3="4.81679"
                        yFract="0.51187784"
                        z3="12.72573"
                        zFract="0.39887087"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.71786"
                        xFract="0.82225968"
                        y3="7.12901"
                        yFract="0.75759629"
                        z3="13.3894"
                        zFract="0.41967272"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.17484"
                        xFract="0.51708083"
                        y3="7.60414"
                        yFract="0.80808812"
                        z3="13.05844"
                        zFract="0.40929922"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="15.29513"
                        xFract="0.87538026"
                        y3="8.43593"
                        yFract="0.89648202"
                        z3="12.07114"
                        zFract="0.37835363"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.87685"
                        xFract="0.83501859"
                        y3="5.94891"
                        yFract="0.63218766"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.16932"
                        xFract="0.89118383"
                        y3="4.42172"
                        yFract="0.46989395"
                        z3="9.60307"
                        zFract="0.3009953"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.1144"
                        xFract="0.1683517"
                        y3="6.73308"
                        yFract="0.71552101"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.03521"
                        xFract="0.50168444"
                        y3="5.16474"
                        yFract="0.54885431"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.69021"
                        xFract="0.12492579"
                        y3="5.49961"
                        yFract="0.58444078"
                        z3="7.62444"
                        zFract="0.23897781"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.91644"
                        xFract="0.50168543"
                        y3="8.6935"
                        yFract="0.92385385"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.91644"
                        xFract="0.83501798"
                        y3="4.77266"
                        yFract="0.50718817"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.03521"
                        xFract="0.16835104"
                        y3="9.08559"
                        yFract="0.96552106"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.99562"
                        xFract="0.5016842"
                        y3="6.3410"
                        yFract="0.67385487"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.95603"
                        xFract="0.50168481"
                        y3="7.51725"
                        yFract="0.79885436"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.79766"
                        xFract="0.83501793"
                        y3="8.30142"
                        yFract="0.88218771"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.83725"
                        xFract="0.83501816"
                        y3="7.12516"
                        yFract="0.75718715"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.07481"
                        xFract="0.16835232"
                        y3="7.90933"
                        yFract="0.8405205"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.33556"
                        xFract="0.15991562"
                        y3="0.97945"
                        yFract="0.10408566"
                        z3="7.65998"
                        zFract="0.24009176"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="11.1470"
                        xFract="0.8776739"
                        y3="3.32855"
                        yFract="0.35372333"
                        z3="11.82367"
                        zFract="0.37059702"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.03521"
                        xFract="0.83501784"
                        y3="1.24389"
                        yFract="0.13218756"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="7.93493"
                        xFract="0.81046514"
                        y3="0.18513"
                        yFract="0.01967367"
                        z3="9.67867"
                        zFract="0.30336488"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.27277"
                        xFract="0.16835199"
                        y3="2.02806"
                        yFract="0.21552091"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.19358"
                        xFract="0.50168472"
                        y3="0.45972"
                        yFract="0.04885421"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.64318"
                        xFract="0.5708003"
                        y3="0.19739"
                        yFract="0.02097654"
                        z3="12.89781"
                        zFract="0.40426449"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.07481"
                        xFract="0.50168486"
                        y3="3.98849"
                        yFract="0.42385482"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.07481"
                        xFract="0.83501826"
                        y3="0.06764"
                        yFract="0.00718807"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.19358"
                        xFract="0.16835132"
                        y3="4.38057"
                        yFract="0.46552096"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.15399"
                        xFract="0.50168449"
                        y3="1.63598"
                        yFract="0.17385477"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.1144"
                        xFract="0.5016851"
                        y3="2.81223"
                        yFract="0.29885426"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.99562"
                        xFract="0.8350176"
                        y3="2.42015"
                        yFract="0.25718812"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.31688"
                        xFract="0.56107753"
                        y3="2.36161"
                        yFract="0.2509671"
                        z3="13.05604"
                        zFract="0.409224"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.23317"
                        xFract="0.16835071"
                        y3="3.20432"
                        yFract="0.34052147"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.04149"
                        xFract="0.81542655"
                        y3="0.25728"
                        yFract="0.02734102"
                        z3="13.97023"
                        zFract="0.43787805"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="3.88973"
                        xFract="0.12278181"
                        y3="3.3197"
                        yFract="0.35278284"
                        z3="12.45897"
                        zFract="0.39050964"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.37589"
                        xFract="0.90347247"
                        y3="2.08068"
                        yFract="0.22111281"
                        z3="9.77025"
                        zFract="0.30623533"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.44661"
                        xFract="0.88945673"
                        y3="1.10741"
                        yFract="0.1176839"
                        z3="12.0361"
                        zFract="0.37725535"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.41558"
                        xFract="0.1785939"
                        y3="0.85775"
                        yFract="0.09115266"
                        z3="12.43703"
                        zFract="0.38982196"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.15046"
                        xFract="0.17999242"
                        y3="4.19083"
                        yFract="0.44535739"
                        z3="9.98285"
                        zFract="0.31289899"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="7.52491"
                        xFract="0.44803941"
                        y3="3.94601"
                        yFract="0.41934049"
                        z3="11.01305"
                        zFract="0.34518923"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.95603"
                        xFract="0.83501821"
                        y3="3.5964"
                        yFract="0.38218761"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.20262"
                        xFract="0.16861674"
                        y3="1.93903"
                        yFract="0.20605974"
                        z3="10.2422"
                        zFract="0.32102797"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.68987"
                        xFract="0.4291663"
                        y3="1.92055"
                        yFract="0.20409588"
                        z3="11.0966"
                        zFract="0.34780799"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="4.89111"
                        xFract="0.43985215"
                        y3="0.81658"
                        yFract="0.08677754"
                        z3="8.4903"
                        zFract="0.26611702"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="6.58577"
                        xFract="0.47017518"
                        y3="2.53543"
                        yFract="0.26943887"
                        z3="8.77338"
                        zFract="0.27498978"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.14098"
                        xFract="0.16203242"
                        y3="3.16573"
                        yFract="0.33642053"
                        z3="7.84869"
                        zFract="0.24600662"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.85331"
                        xFract="0.79015713"
                        y3="2.77353"
                        yFract="0.29474163"
                        z3="13.98834"
                        zFract="0.43844568"/>
                  <atom elementType="O"
                        id="a61"
                        x3="4.71338"
                        xFract="0.08501797"
                        y3="4.77266"
                        yFract="0.50718817"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="O"
                        id="a62"
                        x3="9.51542"
                        xFract="0.58501798"
                        y3="4.77266"
                        yFract="0.50718817"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="O"
                        id="a63"
                        x3="7.5946"
                        xFract="0.2516842"
                        y3="6.3410"
                        yFract="0.67385487"
                        z3="3.75346"
                        zFract="0.11764715"/>
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                        id="a64"
                        x3="15.11218"
                        xFract="0.9034297"
                        y3="7.88193"
                        yFract="0.83760872"
                        z3="10.28796"
                        zFract="0.32246226"/>
                  <atom elementType="O"
                        id="a65"
                        x3="8.61677"
                        xFract="0.43259632"
                        y3="5.46491"
                        yFract="0.58075322"
                        z3="10.87195"
                        zFract="0.34076664"/>
                  <atom elementType="O"
                        id="a66"
                        x3="10.47583"
                        xFract="0.75168486"
                        y3="3.98849"
                        yFract="0.42385482"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="O"
                        id="a67"
                        x3="3.75297"
                        xFract="0.25168449"
                        y3="1.63598"
                        yFract="0.17385477"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="O"
                        id="a68"
                        x3="8.45291"
                        xFract="0.71543839"
                        y3="1.93728"
                        yFract="0.20587377"
                        z3="8.92702"
                        zFract="0.27980542"/>
                  <atom elementType="O"
                        id="a69"
                        x3="8.89911"
                        xFract="0.80041753"
                        y3="1.48419"
                        yFract="0.15772412"
                        z3="14.8575"
                        zFract="0.46568833"/>
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               <bondArray>
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                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a3 a61" order="S"/>
                  <bond atomRefs2="a3 a63" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a65" order="S"/>
                  <bond atomRefs2="a5 a62" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a65" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a53" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a16" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a15 a60" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a22 a66" order="S"/>
                  <bond atomRefs2="a22 a63" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a25 a66" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a34 a68" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a37 a67" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a56" order="S"/>
                  <bond atomRefs2="a39 a62" order="S"/>
                  <bond atomRefs2="a42 a58" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a44 a66" order="S"/>
                  <bond atomRefs2="a45 a50" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a45 a56" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a61" order="S"/>
                  <bond atomRefs2="a46 a67" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a47 a69" order="S"/>
                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a68" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a65" order="S"/>
                  <bond atomRefs2="a54 a62" order="S"/>
                  <bond atomRefs2="a55 a57" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a57 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a58 a68" order="S"/>
                  <bond atomRefs2="a60 a69" order="S"/>
               </bondArray>
               <formula concise="Cu60O9">
                  <atomArray count="60 9" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3956.7545999999975</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.9O">
                  <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/rA:69CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4O4OO5O3O4O4O/rB:;;;;s4s5;;s4;s4s8;s7;;s11;s9;s11;s14;s11;s6s8s14s16;s16;s12;s11;s2;;;s4;;s2;;;;;;;s14s15s20;;;s32;;;;;s23;;;;;;s38s45;s10;s33;s45s47s49;;s10;s10s15s45s52;;s51;s38s45s48s52s55;s42s55;s42s52s56s57;s52s57s58;s15s33s50;s3s46;s5s27s39s54;s3s21s22s31;s12s18;s5s6s7s15s53;s22s25s44;s1s36s37s46;s34s35s49s58;s47s60;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
