<?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="2.07443874"
                        xFract="0.24149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.51705144"
                        xFract="0.99149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="2.05355342"
                        yFract="0.23905908"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.36951387"
                        xFract="0.74149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="6.34862856"
                        yFract="0.73905908"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="8.49616612"
                        yFract="0.98905908"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.22197631"
                        xFract="0.49149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.07443874"
                        xFract="0.24149039"
                        y3="4.20109099"
                        yFract="0.48905908"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="O"
                        id="a49"
                        x3="7.44328266"
                        xFract="0.86649039"
                        y3="7.42239734"
                        yFract="0.86405908"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a50"
                        x3="7.44328266"
                        xFract="0.86649039"
                        y3="7.42239734"
                        yFract="0.86405908"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a51"
                        x3="1.00066996"
                        xFract="0.11649039"
                        y3="5.27485977"
                        yFract="0.61405908"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a52"
                        x3="5.29574509"
                        xFract="0.61649039"
                        y3="0.97978464"
                        yFract="0.11405908"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a53"
                        x3="3.14820752"
                        xFract="0.36649039"
                        y3="3.1273222"
                        yFract="0.36405908"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a54"
                        x3="1.00066996"
                        xFract="0.11649039"
                        y3="0.97978464"
                        yFract="0.11405908"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a55"
                        x3="3.14820752"
                        xFract="0.36649039"
                        y3="3.1273222"
                        yFract="0.36405908"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a56"
                        x3="3.14820752"
                        xFract="0.36649039"
                        y3="3.1273222"
                        yFract="0.36405908"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="O"
                        id="a57"
                        x3="1.00066996"
                        xFract="0.11649039"
                        y3="0.97978464"
                        yFract="0.11405908"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a58"
                        x3="3.14820752"
                        xFract="0.36649039"
                        y3="7.42239734"
                        yFract="0.86405908"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a59"
                        x3="1.00066996"
                        xFract="0.11649039"
                        y3="5.27485977"
                        yFract="0.61405908"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a60"
                        x3="7.44328266"
                        xFract="0.86649039"
                        y3="7.42239734"
                        yFract="0.86405908"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="O"
                        id="a61"
                        x3="7.44328266"
                        xFract="0.86649039"
                        y3="3.1273222"
                        yFract="0.36405908"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a62"
                        x3="5.29574509"
                        xFract="0.61649039"
                        y3="0.97978464"
                        yFract="0.11405908"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a63"
                        x3="7.44328266"
                        xFract="0.86649039"
                        y3="3.1273222"
                        yFract="0.36405908"
                        z3="8.44261278"
                        zFract="0.29302971"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a56" order="S"/>
                  <bond atomRefs2="a1 a59" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a6 a50" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a8 a50" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a11 a61" order="S"/>
                  <bond atomRefs2="a12 a61" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a14 a61" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a16 a63" order="S"/>
                  <bond atomRefs2="a17 a63" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a21 a63" 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 a51" order="S"/>
                  <bond atomRefs2="a29 a57" order="S"/>
                  <bond atomRefs2="a29 a55" order="S"/>
                  <bond atomRefs2="a30 a55" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a36 a53" order="S"/>
                  <bond atomRefs2="a37 a55" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a42 a58" order="S"/>
                  <bond atomRefs2="a43 a58" order="S"/>
                  <bond atomRefs2="a44 a58" order="S"/>
                  <bond atomRefs2="a45 a58" order="S"/>
                  <bond atomRefs2="a47 a53" order="S"/>
                  <bond atomRefs2="a48 a51" order="S"/>
                  <bond atomRefs2="a48 a53" 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:63CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4OOO4O0O4O4O1O4O1O4O4O1O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s9s22s23s24;s6s7s8s39;s28s48;s20s30;s36s38s47s48;;s29s30s34s37;s1s31s32s33;s29;s42s43s44s45;s1;s4s5s26s40;s11s12s13s14;s32;s15s16s17s21;/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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-0.037270 -0.083152 -0.018531 -0.069614 0.010855 0.013869 -0.048963 -0.006936 -0.037683 -0.028422 -0.265253 0.306293 1.104893 -1.133034 1.017774 -0.589319 -0.860992 -0.846461 -0.969225 0.086252 0.015952 -0.009980 -0.000596 -0.005249 -0.033225 0.054464 -0.101608 -0.073727 1.021888 1.130377 0.049901 1.145447 -1.026653 -0.538201 -1.035490 -0.936778 0.145585 0.039279 -0.064522 -0.029422 -0.018856 -0.067460 0.061813 -0.092309 0.056779 0.001755 0.008860 -0.047299 -0.006613 0.078475 0.020235 0.047260 0.112567 -0.138951 0.057835 -0.978978 -1.170375 0.027727 -0.118196 0.237381 0.315137 0.022565 -0.127845 0.018354 -0.067852 0.157745 0.077774 -0.045044 -0.039563 -0.038962 -0.030603 -0.026097 0.031714 -0.027171 -0.034998 0.010090 0.009544 0.020960 0.002005 0.001012 -0.088130 0.062428 0.035210 0.033359 -0.069886 -0.102764 0.006546 0.065861 -0.042471 0.006250 0.074880 -0.124326 0.176668 -0.054899 -0.070713 -0.003494 -0.045661 0.004170 0.002690 1.242524 -0.038403 0.025244 -0.016442 0.099374 -0.055025 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0.020289 0.000976 -0.058547 0.025661 -0.085280 0.046946 0.031802 1.021901 1.124820 0.043500 1.145557 -1.023699 -0.542866 -1.033360 -0.932478 0.143899 -0.027492 -0.015174 -0.078440 -0.013426 -0.041906 0.026912 -0.044818 0.085243 0.023351 0.065884 0.017170 0.026187 0.049750 0.032783 0.055020 -0.042287 0.091491 -0.066798 -0.978795 -1.156049 0.018665 -0.117971 0.235499 0.313610 0.027804 -0.060367 0.017311 -0.021316 0.055345 -0.028439 -0.090331 -0.026248 -0.017012 -0.062528 0.002176 -0.027375 -0.053268 -0.035749 0.007531 0.035016 0.039025 -0.006489 -0.019131 -0.052956 0.029949 -0.049609 -0.050809 -0.120048 0.083547 0.010500 0.109723 -0.055766 0.003994 0.004078 0.015950 -0.108580 -0.004897 -0.031170 -0.105183 -0.003657 0.004205 0.002363 1.247246 -0.000942 -0.069250 -0.035852 0.098980 -0.057217 -0.769138 0.049307 -0.025942 0.053690 -0.004923 -0.019826 0.052867 0.031180 0.002006 1.563454 -0.119998 0.088640 -0.751465 -0.020103 -0.041375 0.057934 -0.013471 -0.014944 1.559172 -0.016341 -0.040803 -0.043167</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">-255.40070476</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-255.39311342</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-255.39690909</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.3417</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2196482E-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="2.07444"
                        xFract="0.24149054"
                        y3="4.20109"
                        yFract="0.48905896"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.07444"
                        xFract="0.24149054"
                        y3="6.34863"
                        yFract="0.73905925"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.03798"
                        xFract="0.23724614"
                        y3="-0.06332"
                        yFract="-0.00737123"
                        z3="6.56947"
                        zFract="0.22801589"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.51705"
                        xFract="0.99149022"
                        y3="6.34863"
                        yFract="0.73905925"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.51705"
                        xFract="0.99149022"
                        y3="8.49617"
                        yFract="0.98905953"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="0.15718"
                        xFract="0.0182977"
                        y3="6.17542"
                        yFract="0.71889546"
                        z3="6.63142"
                        zFract="0.23016608"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.9702"
                        xFract="0.6950053"
                        y3="6.17083"
                        yFract="0.71836112"
                        z3="8.68969"
                        zFract="0.30160537"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.11889"
                        xFract="0.01384027"
                        y3="8.38946"
                        yFract="0.97663716"
                        z3="8.32148"
                        zFract="0.28882538"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="5.91449"
                        xFract="0.68851997"
                        y3="-0.12967"
                        yFract="-0.0150952"
                        z3="10.13975"
                        zFract="0.35193465"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.36951"
                        xFract="0.74148994"
                        y3="4.20109"
                        yFract="0.48905896"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="-0.16616"
                        xFract="-0.01934308"
                        y3="4.72197"
                        yFract="0.54969586"
                        z3="12.01529"
                        zFract="0.41703167"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.57228"
                        xFract="0.99791968"
                        y3="2.00953"
                        yFract="0.23393421"
                        z3="10.72916"
                        zFract="0.37239214"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.97562"
                        xFract="0.69563626"
                        y3="2.03196"
                        yFract="0.23654534"
                        z3="11.41767"
                        zFract="0.39628923"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.65778"
                        xFract="0.77504814"
                        y3="4.13048"
                        yFract="0.48083909"
                        z3="10.09669"
                        zFract="0.35044011"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.53238"
                        xFract="0.99327482"
                        y3="4.15404"
                        yFract="0.48358176"
                        z3="8.42616"
                        zFract="0.29245866"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.13959"
                        xFract="0.7147244"
                        y3="1.9179"
                        yFract="0.22326734"
                        z3="8.85936"
                        zFract="0.30749435"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="0.03247"
                        xFract="0.00377991"
                        y3="1.96151"
                        yFract="0.22834408"
                        z3="6.56471"
                        zFract="0.22785068"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.51705"
                        xFract="0.99149022"
                        y3="4.20109"
                        yFract="0.48905896"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.51705"
                        xFract="0.99149022"
                        y3="2.05355"
                        yFract="0.23905868"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.36951"
                        xFract="0.74148994"
                        y3="2.05355"
                        yFract="0.23905868"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.2066"
                        xFract="0.7225252"
                        y3="4.33973"
                        yFract="0.50519838"
                        z3="6.68701"
                        zFract="0.23209552"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.18815"
                        xFract="0.72037739"
                        y3="6.0651"
                        yFract="0.70605284"
                        z3="11.39691"
                        zFract="0.39556868"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="-0.10798"
                        xFract="-0.01257021"
                        y3="6.51975"
                        yFract="0.75897974"
                        z3="10.33814"
                        zFract="0.35882046"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="0.2671"
                        xFract="0.03109375"
                        y3="-0.11584"
                        yFract="-0.01348521"
                        z3="12.12103"
                        zFract="0.42070174"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.22198"
                        xFract="0.49149082"
                        y3="6.34863"
                        yFract="0.73905925"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.36951"
                        xFract="0.74148994"
                        y3="8.49617"
                        yFract="0.98905953"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.22198"
                        xFract="0.49149082"
                        y3="8.49617"
                        yFract="0.98905953"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.31065"
                        xFract="0.26898831"
                        y3="6.53263"
                        yFract="0.76047913"
                        z3="8.14906"
                        zFract="0.28284096"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.94542"
                        xFract="0.22647101"
                        y3="1.97979"
                        yFract="0.2304721"
                        z3="8.41767"
                        zFract="0.29216399"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.1624"
                        xFract="0.48455497"
                        y3="2.13513"
                        yFract="0.24855561"
                        z3="7.12009"
                        zFract="0.24712704"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.22198"
                        xFract="0.49149082"
                        y3="4.20109"
                        yFract="0.48905896"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.22198"
                        xFract="0.49149082"
                        y3="2.05355"
                        yFract="0.23905868"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.07444"
                        xFract="0.24149054"
                        y3="2.05355"
                        yFract="0.23905868"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.89343"
                        xFract="0.22041873"
                        y3="4.39098"
                        yFract="0.51116452"
                        z3="6.63012"
                        zFract="0.23012096"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.29904"
                        xFract="0.50046156"
                        y3="6.31526"
                        yFract="0.73517457"
                        z3="6.65336"
                        zFract="0.23092758"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.08483"
                        xFract="0.24270006"
                        y3="1.54948"
                        yFract="0.18037868"
                        z3="12.13725"
                        zFract="0.42126471"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.33868"
                        xFract="0.50507615"
                        y3="4.52416"
                        yFract="0.52666832"
                        z3="8.64925"
                        zFract="0.30020176"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.96224"
                        xFract="0.46125386"
                        y3="1.77744"
                        yFract="0.20691605"
                        z3="10.06329"
                        zFract="0.34928085"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.35737"
                        xFract="0.74007669"
                        y3="8.23113"
                        yFract="0.95820559"
                        z3="7.18702"
                        zFract="0.24945007"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.36951"
                        xFract="0.74148994"
                        y3="6.34863"
                        yFract="0.73905925"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.07444"
                        xFract="0.24149054"
                        y3="8.49617"
                        yFract="0.98905953"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.27017"
                        xFract="0.49710073"
                        y3="0.25097"
                        yFract="0.02921602"
                        z3="11.91404"
                        zFract="0.41351745"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.06068"
                        xFract="0.4727135"
                        y3="6.4238"
                        yFract="0.74780997"
                        z3="10.17955"
                        zFract="0.35331605"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="1.61654"
                        xFract="0.1881853"
                        y3="6.36528"
                        yFract="0.74099751"
                        z3="12.14796"
                        zFract="0.42163644"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.22991"
                        xFract="0.25958917"
                        y3="8.29241"
                        yFract="0.96533934"
                        z3="10.45854"
                        zFract="0.36299935"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.0168"
                        xFract="0.46760532"
                        y3="-0.2536"
                        yFract="-0.02952218"
                        z3="8.44762"
                        zFract="0.2932035"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.53769"
                        xFract="0.52824338"
                        y3="4.2010"
                        yFract="0.48904849"
                        z3="11.22237"
                        zFract="0.38951068"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.9694"
                        xFract="0.22926258"
                        y3="4.3451"
                        yFract="0.50582351"
                        z3="10.51322"
                        zFract="0.36489721"/>
                  <atom elementType="O"
                        id="a49"
                        x3="7.25693"
                        xFract="0.84479663"
                        y3="7.67827"
                        yFract="0.89384583"
                        z3="11.34819"
                        zFract="0.39387769"/>
                  <atom elementType="O"
                        id="a50"
                        x3="7.5386"
                        xFract="0.87758651"
                        y3="6.97509"
                        yFract="0.81198696"
                        z3="7.90865"
                        zFract="0.27449671"/>
                  <atom elementType="O"
                        id="a51"
                        x3="1.06095"
                        xFract="0.12350773"
                        y3="5.42163"
                        yFract="0.63114495"
                        z3="9.2707"
                        zFract="0.32177131"/>
                  <atom elementType="O"
                        id="a52"
                        x3="5.35533"
                        xFract="0.62342681"
                        y3="0.95727"
                        yFract="0.1114381"
                        z3="6.33957"
                        zFract="0.22003643"/>
                  <atom elementType="O"
                        id="a53"
                        x3="2.99325"
                        xFract="0.34845141"
                        y3="3.10621"
                        yFract="0.36160136"
                        z3="11.45149"
                        zFract="0.39746307"/>
                  <atom elementType="O"
                        id="a54"
                        x3="1.00067"
                        xFract="0.1164904"
                        y3="0.97978"
                        yFract="0.11405854"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a55"
                        x3="3.00819"
                        xFract="0.35019061"
                        y3="3.40241"
                        yFract="0.39608271"
                        z3="7.85928"
                        zFract="0.27278315"/>
                  <atom elementType="O"
                        id="a56"
                        x3="3.14821"
                        xFract="0.36649068"
                        y3="3.12732"
                        yFract="0.36405882"
                        z3="4.14754"
                        zFract="0.14395454"/>
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                        id="a57"
                        x3="0.95039"
                        xFract="0.11063718"
                        y3="0.91322"
                        yFract="0.10631013"
                        z3="9.56333"
                        zFract="0.33192803"/>
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                        x3="3.29935"
                        xFract="0.38408525"
                        y3="7.19054"
                        yFract="0.83706801"
                        z3="11.79561"
                        zFract="0.40940693"/>
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                        id="a59"
                        x3="1.00067"
                        xFract="0.1164904"
                        y3="5.27486"
                        yFract="0.61405911"
                        z3="2.0000"
                        zFract="0.06941683"/>
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                        id="a60"
                        x3="7.44328"
                        xFract="0.86649008"
                        y3="7.4224"
                        yFract="0.86405939"
                        z3="4.14754"
                        zFract="0.14395454"/>
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                        id="a61"
                        x3="7.53401"
                        xFract="0.87705218"
                        y3="3.05316"
                        yFract="0.35542568"
                        z3="11.85253"
                        zFract="0.41138253"/>
                  <atom elementType="O"
                        id="a62"
                        x3="5.29575"
                        xFract="0.61649096"
                        y3="0.97978"
                        yFract="0.11405854"
                        z3="2.0000"
                        zFract="0.06941683"/>
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                        id="a63"
                        x3="7.2906"
                        xFract="0.84871624"
                        y3="2.95571"
                        yFract="0.34408129"
                        z3="7.72031"
                        zFract="0.26795973"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a59" order="S"/>
                  <bond atomRefs2="a1 a56" order="S"/>
                  <bond atomRefs2="a2 a35" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a6 a28" order="S"/>
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                  <bond atomRefs2="a7 a39" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a11 a48" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a44" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a61" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a63" order="S"/>
                  <bond atomRefs2="a17 a29" order="S"/>
                  <bond atomRefs2="a17 a33" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a51" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a26 a60" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a28 a51" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a55" order="S"/>
                  <bond atomRefs2="a29 a57" order="S"/>
                  <bond atomRefs2="a30 a55" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a53" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a37 a55" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a58" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a58" order="S"/>
                  <bond atomRefs2="a45 a58" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a53" order="S"/>
                  <bond atomRefs2="a48 a51" order="S"/>
                  <bond atomRefs2="a48 a53" 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:63CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1OO3OO4O0O4O4O1O3O1O4OO1O3/rB:;;;;s2;;;;;;;s9s12;s7s13;s14;s9s13s14;;;;;;s14;s11;;;;;s6;s17;s16s29;s21;;s3s17;s2s6s28;s2s7s27s28s31;s24;s7s35;s13s16s29;s7;s21s35;;s9s13s36s38;s7s22s28s37;s11s23;s43s44;s9s38;s13s14s22s37s43;s11s44s47;s22;s7s39;s23s28s48;s20s30;s36s38s47s48;;s29s30s34s37;s1s31s32s33;s29;s43s44s45;s1;s4s5s26s40;s12s13;s32;s15s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
