<?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">2022-08-05T14:33:45.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.48572342"
                        xFract="0.98784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="2.04311072"
                        yFract="0.23784342"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.33818585"
                        xFract="0.73784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="6.33818585"
                        yFract="0.73784342"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="8.48572342"
                        yFract="0.98784342"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.19064829"
                        xFract="0.48784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.04311072"
                        xFract="0.23784342"
                        y3="4.19064829"
                        yFract="0.48784342"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="O"
                        id="a49"
                        x3="7.41195464"
                        xFract="0.86284342"
                        y3="7.41195464"
                        yFract="0.86284342"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a50"
                        x3="0.96934193"
                        xFract="0.11284342"
                        y3="5.26441707"
                        yFract="0.61284342"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a51"
                        x3="5.26441707"
                        xFract="0.61284342"
                        y3="0.96934193"
                        yFract="0.11284342"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.1168795"
                        xFract="0.36284342"
                        y3="3.1168795"
                        yFract="0.36284342"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a53"
                        x3="0.96934193"
                        xFract="0.11284342"
                        y3="0.96934193"
                        yFract="0.11284342"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a54"
                        x3="3.1168795"
                        xFract="0.36284342"
                        y3="3.1168795"
                        yFract="0.36284342"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a55"
                        x3="0.96934193"
                        xFract="0.11284342"
                        y3="0.96934193"
                        yFract="0.11284342"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a56"
                        x3="0.96934193"
                        xFract="0.11284342"
                        y3="0.96934193"
                        yFract="0.11284342"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a57"
                        x3="3.1168795"
                        xFract="0.36284342"
                        y3="7.41195464"
                        yFract="0.86284342"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a58"
                        x3="0.96934193"
                        xFract="0.11284342"
                        y3="5.26441707"
                        yFract="0.61284342"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a59"
                        x3="3.1168795"
                        xFract="0.36284342"
                        y3="7.41195464"
                        yFract="0.86284342"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a60"
                        x3="7.41195464"
                        xFract="0.86284342"
                        y3="7.41195464"
                        yFract="0.86284342"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="O"
                        id="a61"
                        x3="5.26441707"
                        xFract="0.61284342"
                        y3="0.96934193"
                        yFract="0.11284342"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a62"
                        x3="7.41195464"
                        xFract="0.86284342"
                        y3="3.1168795"
                        yFract="0.36284342"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a63"
                        x3="7.41195464"
                        xFract="0.86284342"
                        y3="3.1168795"
                        yFract="0.36284342"
                        z3="4.14753768"
                        zFract="0.14395446"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a58" order="S"/>
                  <bond atomRefs2="a3 a59" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a10 a63" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a16 a62" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a19 a63" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a24 a49" order="S"/>
                  <bond atomRefs2="a26 a60" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a54" order="S"/>
                  <bond atomRefs2="a30 a54" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a32 a61" order="S"/>
                  <bond atomRefs2="a33 a55" order="S"/>
                  <bond atomRefs2="a34 a54" order="S"/>
                  <bond atomRefs2="a35 a59" order="S"/>
                  <bond atomRefs2="a36 a52" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a38 a52" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a43 a57" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a45 a57" order="S"/>
                  <bond atomRefs2="a46 a59" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a48 a50" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
               </bondArray>
               <formula concise="Cu48O15">
                  <atomArray count="48 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3290.1990000000005</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.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/rA:63CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OOO4O0O4O1O1O4O1O4O4O1O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s9s22s23s24;s28s48;s20s30;s36s38s47s48;;s29s30s34s37;s33;s29;s42s43s44s45;s1;s3s28s35s46;s4s5s26s40;s32;s15s16s17s21;s10s18s19s20;/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">618.0000</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">48 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>
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0.795457 0.844265 0.342213 1.226251 -0.853692 -0.709300 -0.243122 0.043950 -0.198249 0.020335 0.007612 -0.008654 -0.002834 0.019643 -0.009508 0.086476 -0.051699 -0.084361 0.027753 0.021571 0.006001 -0.280926 0.009177 1.166078 -1.240794 0.856334 -0.678534 -0.618631 -0.500843 -1.025734 -0.007206 -0.029421 0.017271 0.043887 -0.003530 0.020116 0.006408 -0.003136 -0.023462 -0.249494 -0.017238 -0.895907 0.040369 -0.163772 0.317295 0.854197 0.835894 -1.159899 0.047591 -0.010742 0.014819 -0.044179 0.032994 0.019227 0.054098 0.022331 -0.032141 -0.019763 -0.039635 -0.058721 0.025613 -0.020022 0.011163 0.019578 -0.041004 -0.006788 -0.695803 -0.681262 0.159965 -0.003852 0.385437 0.232627 0.038701 0.017263 -0.031679 -0.030907 0.041529 -0.022949 0.086615 -0.030521 0.020255 -0.000031 0.015865 -0.011386 0.011954 -0.027822 0.051682 -0.073714 -0.037494 -0.013039 -0.041971 -0.057841 -0.054045 -0.037242 -0.011750 0.023038 0.012851 -0.018279 0.024913 -0.030026 0.021176 0.006425 -0.051249 -0.037239 -0.000290 -0.181801 0.155324 1.505381 -0.009699 -0.000553 -0.009503 0.029904 0.012181 -0.018970 0.030374 -0.024624 -0.032175 0.012775 -0.013974 0.019384 -0.259218 0.222409 1.353321 0.064359 0.002803 -0.069117 0.274551 0.422523 -0.602949 0.169302 -0.244529 1.373940 -0.008780 0.056957 0.050884 -0.066558 -0.614787 -0.258984</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">-255.77669838</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-255.76219823</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-255.76944831</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.2508</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1181454E-01</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.04311"
                        xFract="0.23784334"
                        y3="4.19065"
                        yFract="0.48784362"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.04311"
                        xFract="0.23784334"
                        y3="6.33819"
                        yFract="0.7378439"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.12118"
                        xFract="0.24693165"
                        y3="8.35074"
                        yFract="0.97212968"
                        z3="6.89916"
                        zFract="0.23945891"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.48572"
                        xFract="0.98784302"
                        y3="6.33819"
                        yFract="0.7378439"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.48572"
                        xFract="0.98784302"
                        y3="8.48572"
                        yFract="0.98784302"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.43626"
                        xFract="0.98208526"
                        y3="6.16136"
                        yFract="0.7172587"
                        z3="6.8143"
                        zFract="0.23651355"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.31274"
                        xFract="0.73488121"
                        y3="6.26947"
                        yFract="0.72984404"
                        z3="8.70457"
                        zFract="0.30212183"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.33962"
                        xFract="0.97083517"
                        y3="7.96312"
                        yFract="0.9270059"
                        z3="8.6458"
                        zFract="0.30008202"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.57343"
                        xFract="0.76522876"
                        y3="-0.46447"
                        yFract="-0.05407007"
                        z3="10.44183"
                        zFract="0.36241937"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.33819"
                        xFract="0.7378439"
                        y3="4.19065"
                        yFract="0.48784362"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.94348"
                        xFract="0.92471956"
                        y3="3.69423"
                        yFract="0.43005418"
                        z3="11.93873"
                        zFract="0.4143744"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.48102"
                        xFract="0.98729588"
                        y3="1.93602"
                        yFract="0.22537673"
                        z3="10.30046"
                        zFract="0.35751264"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.29535"
                        xFract="0.7328568"
                        y3="1.99744"
                        yFract="0.23252678"
                        z3="11.48559"
                        zFract="0.39864663"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.15174"
                        xFract="0.71613881"
                        y3="4.27008"
                        yFract="0.49709026"
                        z3="10.25528"
                        zFract="0.35594452"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.24058"
                        xFract="0.95930569"
                        y3="4.21426"
                        yFract="0.49059212"
                        z3="8.80287"
                        zFract="0.30553367"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.2111"
                        xFract="0.72304905"
                        y3="1.58187"
                        yFract="0.18414928"
                        z3="9.01318"
                        zFract="0.31283319"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.23827"
                        xFract="0.95903677"
                        y3="2.12612"
                        yFract="0.24750673"
                        z3="7.15438"
                        zFract="0.24831719"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.48572"
                        xFract="0.98784302"
                        y3="4.19065"
                        yFract="0.48784362"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.48572"
                        xFract="0.98784302"
                        y3="2.04311"
                        yFract="0.23784334"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.33819"
                        xFract="0.7378439"
                        y3="2.04311"
                        yFract="0.23784334"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.13923"
                        xFract="0.71468249"
                        y3="4.5306"
                        yFract="0.52741801"
                        z3="6.82847"
                        zFract="0.23700537"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.45439"
                        xFract="0.75137102"
                        y3="5.70376"
                        yFract="0.66398838"
                        z3="12.21694"
                        zFract="0.42403063"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.57079"
                        xFract="0.99774622"
                        y3="6.25732"
                        yFract="0.72842963"
                        z3="10.92404"
                        zFract="0.37915612"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="-0.4023"
                        xFract="-0.04683271"
                        y3="0.52576"
                        yFract="0.06120498"
                        z3="12.27358"
                        zFract="0.42599651"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.19065"
                        xFract="0.48784362"
                        y3="6.33819"
                        yFract="0.7378439"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.33819"
                        xFract="0.7378439"
                        y3="8.48572"
                        yFract="0.98784302"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.19065"
                        xFract="0.48784362"
                        y3="8.48572"
                        yFract="0.98784302"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.08804"
                        xFract="0.24307375"
                        y3="6.30439"
                        yFract="0.73390916"
                        z3="8.64567"
                        zFract="0.3000775"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.04177"
                        xFract="0.23768734"
                        y3="1.98826"
                        yFract="0.23145812"
                        z3="8.78216"
                        zFract="0.30481486"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.13226"
                        xFract="0.4810463"
                        y3="2.20537"
                        yFract="0.25673241"
                        z3="7.09928"
                        zFract="0.24640476"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.19065"
                        xFract="0.48784362"
                        y3="4.19065"
                        yFract="0.48784362"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.19065"
                        xFract="0.48784362"
                        y3="2.04311"
                        yFract="0.23784334"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.04311"
                        xFract="0.23784334"
                        y3="2.04311"
                        yFract="0.23784334"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.80627"
                        xFract="0.21027222"
                        y3="4.36756"
                        yFract="0.50843814"
                        z3="6.67491"
                        zFract="0.23167555"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.3548"
                        xFract="0.50695271"
                        y3="6.26185"
                        yFract="0.72895698"
                        z3="6.61287"
                        zFract="0.22952224"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="1.34795"
                        xFract="0.15691809"
                        y3="2.1696"
                        yFract="0.25256834"
                        z3="12.24808"
                        zFract="0.42511145"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.28672"
                        xFract="0.49902736"
                        y3="4.6598"
                        yFract="0.5424585"
                        z3="8.74064"
                        zFract="0.30337376"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.1276"
                        xFract="0.48050382"
                        y3="2.2366"
                        yFract="0.26036797"
                        z3="10.31669"
                        zFract="0.35807596"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.45156"
                        xFract="0.75104158"
                        y3="8.16033"
                        yFract="0.94996359"
                        z3="7.17472"
                        zFract="0.24902316"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.33819"
                        xFract="0.7378439"
                        y3="6.33819"
                        yFract="0.7378439"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.04311"
                        xFract="0.23784334"
                        y3="8.48572"
                        yFract="0.98784302"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.57429"
                        xFract="0.53250407"
                        y3="0.24545"
                        yFract="0.02857342"
                        z3="11.60918"
                        zFract="0.40293624"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.49595"
                        xFract="0.52338432"
                        y3="6.22714"
                        yFract="0.72491631"
                        z3="10.67825"
                        zFract="0.37062514"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.09634"
                        xFract="0.24403997"
                        y3="6.05205"
                        yFract="0.70453366"
                        z3="12.22653"
                        zFract="0.42436348"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.15086"
                        xFract="0.25038677"
                        y3="8.32404"
                        yFract="0.96902147"
                        z3="10.81808"
                        zFract="0.37547841"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.52325"
                        xFract="0.52656238"
                        y3="-0.16305"
                        yFract="-0.01898104"
                        z3="9.10321"
                        zFract="0.31595799"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.71191"
                        xFract="0.54852475"
                        y3="4.03761"
                        yFract="0.47002787"
                        z3="12.15539"
                        zFract="0.42189432"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.04215"
                        xFract="0.23773158"
                        y3="4.1245"
                        yFract="0.48014294"
                        z3="10.79608"
                        zFract="0.37471483"/>
                  <atom elementType="O"
                        id="a49"
                        x3="7.53924"
                        xFract="0.87766101"
                        y3="7.31752"
                        yFract="0.85185006"
                        z3="12.07787"
                        zFract="0.41920373"/>
                  <atom elementType="O"
                        id="a50"
                        x3="0.97443"
                        xFract="0.11343573"
                        y3="5.21211"
                        yFract="0.60675423"
                        z3="9.68492"
                        zFract="0.33614822"/>
                  <atom elementType="O"
                        id="a51"
                        x3="5.3309"
                        xFract="0.62058286"
                        y3="0.9582"
                        yFract="0.11154636"
                        z3="6.35384"
                        zFract="0.22053172"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.06858"
                        xFract="0.35722076"
                        y3="3.01217"
                        yFract="0.35065394"
                        z3="11.90698"
                        zFract="0.41327241"/>
                  <atom elementType="O"
                        id="a53"
                        x3="0.96934"
                        xFract="0.11284319"
                        y3="0.96934"
                        yFract="0.11284319"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a54"
                        x3="2.9571"
                        xFract="0.3442431"
                        y3="3.40099"
                        yFract="0.3959174"
                        z3="7.97519"
                        zFract="0.27680621"/>
                  <atom elementType="O"
                        id="a55"
                        x3="0.87011"
                        xFract="0.10129159"
                        y3="1.02584"
                        yFract="0.1194205"
                        z3="6.31425"
                        zFract="0.21915761"/>
                  <atom elementType="O"
                        id="a56"
                        x3="1.08535"
                        xFract="0.1263482"
                        y3="0.54508"
                        yFract="0.06345407"
                        z3="9.49919"
                        zFract="0.32970183"/>
                  <atom elementType="O"
                        id="a57"
                        x3="3.35905"
                        xFract="0.39103507"
                        y3="7.41111"
                        yFract="0.86274509"
                        z3="11.97278"
                        zFract="0.41555622"/>
                  <atom elementType="O"
                        id="a58"
                        x3="0.96934"
                        xFract="0.11284319"
                        y3="5.26442"
                        yFract="0.61284376"
                        z3="2.0000"
                        zFract="0.06941683"/>
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                        id="a59"
                        x3="3.38612"
                        xFract="0.39418635"
                        y3="7.41883"
                        yFract="0.8636438"
                        z3="7.90682"
                        zFract="0.27443319"/>
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                        id="a60"
                        x3="7.41195"
                        xFract="0.86284288"
                        y3="7.41195"
                        yFract="0.86284288"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="O"
                        id="a61"
                        x3="5.26442"
                        xFract="0.61284376"
                        y3="0.96934"
                        yFract="0.11284319"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a62"
                        x3="6.91956"
                        xFract="0.80552258"
                        y3="3.12761"
                        yFract="0.36409258"
                        z3="7.99615"
                        zFract="0.27753369"/>
                  <atom elementType="O"
                        id="a63"
                        x3="7.41195"
                        xFract="0.86284288"
                        y3="3.11688"
                        yFract="0.36284348"
                        z3="4.14754"
                        zFract="0.14395454"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a58" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a3 a59" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a39" order="S"/>
                  <bond atomRefs2="a8 a39" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a10 a63" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a62" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a19 a63" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a35" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a26 a60" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a29 a54" order="S"/>
                  <bond atomRefs2="a30 a54" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a32 a61" order="S"/>
                  <bond atomRefs2="a33 a55" order="S"/>
                  <bond atomRefs2="a34 a54" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a59" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a52" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a52" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a57" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a45 a57" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a48 a50" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
               </bondArray>
               <formula concise="Cu48O15">
                  <atomArray count="48 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3290.1990000000005</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.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/rA:63CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOOOO4O0O4O1O1O3O1O3O4O1O4O4/rB:;s2;;;;;s6s7;;;;s11;s9s11s12;s7s11s13;s14;s9s12s13;s15;s6;;;s7;s11s14;s22;;;;s3;;;;s21;;;s2;s21s27s31;s24;s7s14s21s35;s13s16s29;s7s8;s6s21s35s39;;s9s13s38;s7s14s22s37;;s44;s9s16s42;s13s14s22s38s43;s36s44;s22s23;s28s48;s20s30;s36s38s47s48;;s29s30s34s37;s33;s29;s43s44s45;s1;s3s28s35;s4s5s26s40;s32;s15s16s17s21;s10s18s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
