<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T22:23:32.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.60407997</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.148307014121546</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">50.77</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.52542098"
                        xFract="0.0861075"
                        y3="0.85540794"
                        yFract="0.09090377"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.28786896"
                        xFract="0.0861075"
                        y3="7.91293656"
                        yFract="0.84090377"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.36705297"
                        xFract="0.0861075"
                        y3="5.56042702"
                        yFract="0.59090377"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.16909289"
                        xFract="0.41944083"
                        y3="7.5208516"
                        yFract="0.7992371"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.2482769"
                        xFract="0.41944083"
                        y3="5.16834206"
                        yFract="0.5492371"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.2086849"
                        xFract="0.41944083"
                        y3="6.34459683"
                        yFract="0.6742371"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.32746096"
                        xFract="0.0861075"
                        y3="6.73668179"
                        yFract="0.71590377"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.12950089"
                        xFract="0.41944083"
                        y3="8.69710637"
                        yFract="0.9242371"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.24827696"
                        xFract="0.0861075"
                        y3="9.08919132"
                        yFract="0.96590377"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.36705297"
                        xFract="0.0861075"
                        y3="5.56042702"
                        yFract="0.59090377"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.089909"
                        xFract="0.75277417"
                        y3="5.95251197"
                        yFract="0.63257044"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.050317"
                        xFract="0.75277417"
                        y3="7.12876674"
                        yFract="0.75757044"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="7.28786896"
                        xFract="0.0861075"
                        y3="7.91293656"
                        yFract="0.84090377"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.129501"
                        xFract="0.75277417"
                        y3="4.7762572"
                        yFract="0.50757044"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.2482769"
                        xFract="0.41944083"
                        y3="5.16834206"
                        yFract="0.5492371"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.050317"
                        xFract="0.75277417"
                        y3="7.12876674"
                        yFract="0.75757044"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.16909289"
                        xFract="0.41944083"
                        y3="7.5208516"
                        yFract="0.7992371"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.010725"
                        xFract="0.75277417"
                        y3="8.30502151"
                        yFract="0.88257044"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.089909"
                        xFract="0.75277417"
                        y3="5.95251197"
                        yFract="0.63257044"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.129501"
                        xFract="0.75277417"
                        y3="4.7762572"
                        yFract="0.50757044"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.32746096"
                        xFract="0.0861075"
                        y3="6.73668179"
                        yFract="0.71590377"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.2482769"
                        xFract="0.41944083"
                        y3="5.16834206"
                        yFract="0.5492371"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.36705297"
                        xFract="0.0861075"
                        y3="5.56042702"
                        yFract="0.59090377"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.12950089"
                        xFract="0.41944083"
                        y3="8.69710637"
                        yFract="0.9242371"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.129501"
                        xFract="0.75277417"
                        y3="4.7762572"
                        yFract="0.50757044"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="8.24827696"
                        xFract="0.0861075"
                        y3="9.08919132"
                        yFract="0.96590377"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.2086849"
                        xFract="0.41944083"
                        y3="6.34459683"
                        yFract="0.6742371"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.16909289"
                        xFract="0.41944083"
                        y3="7.5208516"
                        yFract="0.7992371"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.010725"
                        xFract="0.75277417"
                        y3="8.30502151"
                        yFract="0.88257044"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.050317"
                        xFract="0.75277417"
                        y3="7.12876674"
                        yFract="0.75757044"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.28786896"
                        xFract="0.0861075"
                        y3="7.91293656"
                        yFract="0.84090377"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="1.52542098"
                        xFract="0.0861075"
                        y3="0.85540794"
                        yFract="0.09090377"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.16909301"
                        xFract="0.75277417"
                        y3="3.60000244"
                        yFract="0.38257044"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.24827701"
                        xFract="0.75277417"
                        y3="1.2474929"
                        yFract="0.13257044"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="7.28786902"
                        xFract="0.75277417"
                        y3="0.07123813"
                        yFract="0.00757044"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.48582897"
                        xFract="0.0861075"
                        y3="2.03166271"
                        yFract="0.21590377"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.40664491"
                        xFract="0.41944083"
                        y3="0.46332299"
                        yFract="0.0492371"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.40664491"
                        xFract="0.41944083"
                        y3="0.46332299"
                        yFract="0.0492371"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.2878689"
                        xFract="0.41944083"
                        y3="3.9920873"
                        yFract="0.4242371"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="7.28786902"
                        xFract="0.75277417"
                        y3="0.07123813"
                        yFract="0.00757044"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="4.40664497"
                        xFract="0.0861075"
                        y3="4.38417225"
                        yFract="0.46590377"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="5.36705291"
                        xFract="0.41944083"
                        y3="1.63957776"
                        yFract="0.1742371"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="6.3274609"
                        xFract="0.41944083"
                        y3="2.81583253"
                        yFract="0.2992371"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.20868501"
                        xFract="0.75277417"
                        y3="2.42374767"
                        yFract="0.25757044"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="6.3274609"
                        xFract="0.41944083"
                        y3="2.81583253"
                        yFract="0.2992371"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="3.44623697"
                        xFract="0.0861075"
                        y3="3.20791748"
                        yFract="0.34090377"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.28786902"
                        xFract="0.75277417"
                        y3="0.07123813"
                        yFract="0.00757044"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="3.44623697"
                        xFract="0.0861075"
                        y3="3.20791748"
                        yFract="0.34090377"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.20868501"
                        xFract="0.75277417"
                        y3="2.42374767"
                        yFract="0.25757044"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="8.24827701"
                        xFract="0.75277417"
                        y3="1.2474929"
                        yFract="0.13257044"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="1.52542098"
                        xFract="0.0861075"
                        y3="0.85540794"
                        yFract="0.09090377"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="4.40664497"
                        xFract="0.0861075"
                        y3="4.38417225"
                        yFract="0.46590377"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="7.2878689"
                        xFract="0.41944083"
                        y3="3.9920873"
                        yFract="0.4242371"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.16909301"
                        xFract="0.75277417"
                        y3="3.60000244"
                        yFract="0.38257044"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="2.48582897"
                        xFract="0.0861075"
                        y3="2.03166271"
                        yFract="0.21590377"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.36705291"
                        xFract="0.41944083"
                        y3="1.63957776"
                        yFract="0.1742371"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="4.40664491"
                        xFract="0.41944083"
                        y3="0.46332299"
                        yFract="0.0492371"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="6.3274609"
                        xFract="0.41944083"
                        y3="2.81583253"
                        yFract="0.2992371"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="3.44623697"
                        xFract="0.0861075"
                        y3="3.20791748"
                        yFract="0.34090377"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.20868501"
                        xFract="0.75277417"
                        y3="2.42374767"
                        yFract="0.25757044"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="O"
                        id="a61"
                        x3="11.60970489"
                        xFract="0.66944083"
                        y3="6.34459683"
                        yFract="0.6742371"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="O"
                        id="a62"
                        x3="8.72848095"
                        xFract="0.8361075"
                        y3="0.85540794"
                        yFract="0.09090377"
                        z3="15.150928"
                        zFract="0.47488544"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a12 a61" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a20 a61" order="S"/>
                  <bond atomRefs2="a47 a62" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
               </bondArray>
               <formula concise="Cu60O2">
                  <atomArray count="60 2" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3844.7587999999964</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.2O">
                  <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/rA:62CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s4s12s19s20;s47s60;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">672.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">60 2</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="7">1 2 3 4 5 6 7</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-202.66251139</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-202.64729500</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-202.65490319</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.6683</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.9433760E-01</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.60407997</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.148307014121546</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">50.77</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.52542"
                        xFract="0.08610722"
                        y3="0.85541"
                        yFract="0.09090399"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.5539"
                        xFract="0.12193364"
                        y3="7.81735"
                        yFract="0.83074583"
                        z3="6.55297"
                        zFract="0.20539402"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.36705"
                        xFract="0.08610694"
                        y3="5.56043"
                        yFract="0.59090409"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="9.94404"
                        xFract="0.3803863"
                        y3="7.7046"
                        yFract="0.81876395"
                        z3="7.60706"
                        zFract="0.23843305"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.2973"
                        xFract="0.42688164"
                        y3="5.14086"
                        yFract="0.54631659"
                        z3="7.31892"
                        zFract="0.22940169"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.49321"
                        xFract="0.34264562"
                        y3="6.37163"
                        yFract="0.6771099"
                        z3="9.31997"
                        zFract="0.29212191"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.26133"
                        xFract="0.04480167"
                        y3="7.14155"
                        yFract="0.75892891"
                        z3="8.44043"
                        zFract="0.26455391"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="10.95992"
                        xFract="0.34264565"
                        y3="9.39272"
                        yFract="0.99815961"
                        z3="9.31997"
                        zFract="0.29212191"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.04589"
                        xFract="0.05098577"
                        y3="9.25444"
                        yFract="0.98346466"
                        z3="8.5341"
                        zFract="0.26748987"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.69208"
                        xFract="0.09539224"
                        y3="5.84929"
                        yFract="0.62160109"
                        z3="10.42465"
                        zFract="0.32674662"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.84649"
                        xFract="0.88406891"
                        y3="5.33477"
                        yFract="0.56692331"
                        z3="10.38864"
                        zFract="0.32561793"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.2474"
                        xFract="0.77289593"
                        y3="7.13346"
                        yFract="0.75806919"
                        z3="8.47506"
                        zFract="0.26563935"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="7.43997"
                        xFract="0.08463516"
                        y3="8.11654"
                        yFract="0.86254061"
                        z3="10.63458"
                        zFract="0.33332659"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="10.69258"
                        xFract="0.66186958"
                        y3="5.31041"
                        yFract="0.56433459"
                        z3="11.3482"
                        zFract="0.35569405"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.32529"
                        xFract="0.46852233"
                        y3="4.68534"
                        yFract="0.49790871"
                        z3="11.03107"
                        zFract="0.34575404"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="12.43957"
                        xFract="0.66186933"
                        y3="7.45003"
                        yFract="0.79171092"
                        z3="11.3482"
                        zFract="0.35569405"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.02704"
                        xFract="0.39478997"
                        y3="7.63683"
                        yFract="0.81156207"
                        z3="10.78595"
                        zFract="0.33807108"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.51125"
                        xFract="0.80378157"
                        y3="8.31806"
                        yFract="0.88395603"
                        z3="10.29037"
                        zFract="0.32253779"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.08991"
                        xFract="0.75277444"
                        y3="5.95251"
                        yFract="0.63257023"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.16432"
                        xFract="0.7728958"
                        y3="4.58222"
                        yFract="0.4869502"
                        z3="8.47506"
                        zFract="0.26563935"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.32746"
                        xFract="0.08610755"
                        y3="6.73668"
                        yFract="0.71590358"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.24828"
                        xFract="0.41944133"
                        y3="5.16834"
                        yFract="0.54923688"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="5.45822"
                        xFract="0.10206436"
                        y3="5.48439"
                        yFract="0.58282335"
                        z3="6.65591"
                        zFract="0.20862054"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.1295"
                        xFract="0.41944043"
                        y3="8.69711"
                        yFract="0.92423749"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.1295"
                        xFract="0.75277383"
                        y3="4.77626"
                        yFract="0.50757074"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="8.24828"
                        xFract="0.08610793"
                        y3="9.08919"
                        yFract="0.96590363"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.20868"
                        xFract="0.41944005"
                        y3="6.3446"
                        yFract="0.67423744"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.16909"
                        xFract="0.41944066"
                        y3="7.52085"
                        yFract="0.79923693"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.01072"
                        xFract="0.75277378"
                        y3="8.30502"
                        yFract="0.88257028"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.05032"
                        xFract="0.75277421"
                        y3="7.12877"
                        yFract="0.75757079"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.28787"
                        xFract="0.08610732"
                        y3="7.91294"
                        yFract="0.84090414"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="1.67228"
                        xFract="0.12193331"
                        y3="0.61387"
                        yFract="0.06523565"
                        z3="6.55297"
                        zFract="0.20539402"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.25642"
                        xFract="0.80378061"
                        y3="3.10699"
                        yFract="0.33017826"
                        z3="10.29037"
                        zFract="0.32253779"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.24828"
                        xFract="0.75277473"
                        y3="1.24749"
                        yFract="0.13257013"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="6.92131"
                        xFract="0.68938117"
                        y3="0.36796"
                        yFract="0.03910292"
                        z3="8.25779"
                        zFract="0.25882931"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.48583"
                        xFract="0.08610784"
                        y3="2.03166"
                        yFract="0.21590348"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.40664"
                        xFract="0.41944057"
                        y3="0.46332"
                        yFract="0.04923678"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.89529"
                        xFract="0.46852276"
                        y3="0.48446"
                        yFract="0.05148332"
                        z3="11.03107"
                        zFract="0.34575404"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.28787"
                        xFract="0.41944071"
                        y3="3.99209"
                        yFract="0.42423739"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="7.28787"
                        xFract="0.75277411"
                        y3="0.07124"
                        yFract="0.00757064"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="4.40664"
                        xFract="0.08610717"
                        y3="4.38417"
                        yFract="0.46590353"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="5.36705"
                        xFract="0.41944034"
                        y3="1.63958"
                        yFract="0.17423734"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="6.32746"
                        xFract="0.41944095"
                        y3="2.81583"
                        yFract="0.29923683"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.20868"
                        xFract="0.75277345"
                        y3="2.42375"
                        yFract="0.25757069"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="6.5907"
                        xFract="0.46512254"
                        y3="2.6009"
                        yFract="0.27639633"
                        z3="10.96465"
                        zFract="0.34367219"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="3.44624"
                        xFract="0.0861076"
                        y3="3.20792"
                        yFract="0.34090404"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.15571"
                        xFract="0.71552519"
                        y3="0.34752"
                        yFract="0.03693077"
                        z3="12.13902"
                        zFract="0.38048124"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="3.22821"
                        xFract="0.09539121"
                        y3="2.83169"
                        yFract="0.30092227"
                        z3="10.42465"
                        zFract="0.32674662"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="8.84464"
                        xFract="0.68938105"
                        y3="2.72355"
                        yFract="0.28943028"
                        z3="8.25779"
                        zFract="0.25882931"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="8.51749"
                        xFract="0.7994928"
                        y3="1.02768"
                        yFract="0.10921103"
                        z3="10.18438"
                        zFract="0.31921568"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="1.35636"
                        xFract="0.084636"
                        y3="0.66566"
                        yFract="0.07073935"
                        z3="10.63458"
                        zFract="0.33332659"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="4.57501"
                        xFract="0.11532536"
                        y3="4.2467"
                        yFract="0.45129466"
                        z3="8.68736"
                        zFract="0.2722936"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="6.99147"
                        xFract="0.36668306"
                        y3="4.24964"
                        yFract="0.4516071"
                        z3="9.14455"
                        zFract="0.28662361"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.16909"
                        xFract="0.75277406"
                        y3="3.6000"
                        yFract="0.38257018"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="2.07592"
                        xFract="0.04480257"
                        y3="2.01548"
                        yFract="0.21418404"
                        z3="8.44043"
                        zFract="0.26455391"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.05543"
                        xFract="0.36668433"
                        y3="1.87847"
                        yFract="0.19962406"
                        z3="9.14455"
                        zFract="0.28662361"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="4.44337"
                        xFract="0.42688155"
                        y3="0.42078"
                        yFract="0.04471608"
                        z3="7.31892"
                        zFract="0.22940169"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="6.42718"
                        xFract="0.43674601"
                        y3="2.73441"
                        yFract="0.29058437"
                        z3="7.29487"
                        zFract="0.22864788"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="3.53898"
                        xFract="0.10206527"
                        y3="3.1338"
                        yFract="0.33302734"
                        z3="6.65591"
                        zFract="0.20862054"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="8.91155"
                        xFract="0.71552485"
                        y3="2.49798"
                        yFract="0.26545907"
                        z3="12.13902"
                        zFract="0.38048124"/>
                  <atom elementType="O"
                        id="a61"
                        x3="11.4310"
                        xFract="0.63842875"
                        y3="6.49051"
                        yFract="0.68974322"
                        z3="8.10566"
                        zFract="0.254061"/>
                  <atom elementType="O"
                        id="a62"
                        x3="7.98423"
                        xFract="0.70695184"
                        y3="1.46309"
                        yFract="0.15548184"
                        z3="13.23602"
                        zFract="0.41486523"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a27" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a5 a53" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a5 a27" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a53" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a16" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a61" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a15 a60" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a20 a54" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a61" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a23 a39" order="S"/>
                  <bond atomRefs2="a23 a52" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a55" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a34 a58" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a35 a57" order="S"/>
                  <bond atomRefs2="a35 a58" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a56" order="S"/>
                  <bond atomRefs2="a36 a59" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a56" order="S"/>
                  <bond atomRefs2="a39 a58" order="S"/>
                  <bond atomRefs2="a41 a59" order="S"/>
                  <bond atomRefs2="a42 a59" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a42 a58" order="S"/>
                  <bond atomRefs2="a45 a50" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a45 a56" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a47 a62" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a49 a58" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a54" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a58" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
               </bondArray>
               <formula concise="Cu60O2">
                  <atomArray count="60 2" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3844.7587999999964</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.2O">
                  <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/rA:62CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O/rB:;;s2;;s4s5;s2s6;s4;s2s4;s7;;s11;s6s7s9;s11;s6s14;s11;s6s8s13s14s16;s12s16;s12;s11s19;s2;;s7s21;s4;;s2;s2s4s5;;s12;;;;s14s15s20;;s34;s32;;;s5s23;;s23;;;;;;s38s45;;s5s33s34;s35s45s47s49;;s10s23s48;s5s6s10s15s45s49s52;s5s20s49;s32s48s51;s35s38s45s48s52;s35s42s56;s34s35s39s42s49s53s56;s36s41s42s52s55;s15s33s45s50;s4s12s19s20;s47s60;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
