<?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">2022-08-03T18:55:56.000</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">6.074153507060773</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="3.04605219"
                        xFract="0.24729341"
                        y3="0.82183627"
                        yFract="0.17467225"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.84809212"
                        xFract="0.58062674"
                        y3="2.78226085"
                        yFract="0.59133891"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.92727612"
                        xFract="0.58062674"
                        y3="0.42975131"
                        yFract="0.09133891"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.88768412"
                        xFract="0.58062674"
                        y3="1.60600608"
                        yFract="0.34133891"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="4.00646019"
                        xFract="0.24729341"
                        y3="1.99809104"
                        yFract="0.42467225"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.80850011"
                        xFract="0.58062674"
                        y3="3.95851562"
                        yFract="0.84133891"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.92727618"
                        xFract="0.24729341"
                        y3="4.35060057"
                        yFract="0.92467225"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="3.04605219"
                        xFract="0.24729341"
                        y3="0.82183627"
                        yFract="0.17467225"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.76890819"
                        xFract="0.91396008"
                        y3="1.21392118"
                        yFract="0.25800558"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="10.72931618"
                        xFract="0.91396008"
                        y3="2.39017594"
                        yFract="0.50800558"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="4.96686818"
                        xFract="0.24729341"
                        y3="3.17434581"
                        yFract="0.67467225"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.80850019"
                        xFract="0.91396008"
                        y3="0.03766641"
                        yFract="0.00800558"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.92727612"
                        xFract="0.58062674"
                        y3="0.42975131"
                        yFract="0.09133891"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="10.72931618"
                        xFract="0.91396008"
                        y3="2.39017594"
                        yFract="0.50800558"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.84809212"
                        xFract="0.58062674"
                        y3="2.78226085"
                        yFract="0.59133891"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.68972418"
                        xFract="0.91396008"
                        y3="3.56643071"
                        yFract="0.75800558"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="9.76890819"
                        xFract="0.91396008"
                        y3="1.21392118"
                        yFract="0.25800558"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.80850019"
                        xFract="0.91396008"
                        y3="0.03766641"
                        yFract="0.00800558"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="4.00646019"
                        xFract="0.24729341"
                        y3="1.99809104"
                        yFract="0.42467225"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.92727612"
                        xFract="0.58062674"
                        y3="0.42975131"
                        yFract="0.09133891"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="3.04605219"
                        xFract="0.24729341"
                        y3="0.82183627"
                        yFract="0.17467225"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.80850011"
                        xFract="0.58062674"
                        y3="3.95851562"
                        yFract="0.84133891"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.80850019"
                        xFract="0.91396008"
                        y3="0.03766641"
                        yFract="0.00800558"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.92727618"
                        xFract="0.24729341"
                        y3="4.35060057"
                        yFract="0.92467225"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.88768412"
                        xFract="0.58062674"
                        y3="1.60600608"
                        yFract="0.34133891"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.84809212"
                        xFract="0.58062674"
                        y3="2.78226085"
                        yFract="0.59133891"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="10.72931618"
                        xFract="0.91396008"
                        y3="2.39017594"
                        yFract="0.50800558"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.96686818"
                        xFract="0.24729341"
                        y3="3.17434581"
                        yFract="0.67467225"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.96686818"
                        xFract="0.24729341"
                        y3="3.17434581"
                        yFract="0.67467225"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="11.68972418"
                        xFract="0.91396008"
                        y3="3.56643071"
                        yFract="0.75800558"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="O"
                        id="a31"
                        x3="4.48666413"
                        xFract="0.33062674"
                        y3="1.60600608"
                        yFract="0.34133891"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="O"
                        id="a32"
                        x3="6.4074802"
                        xFract="0.66396008"
                        y3="0.03766641"
                        yFract="0.00800558"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="O"
                        id="a33"
                        x3="9.28870411"
                        xFract="0.83062674"
                        y3="1.60600608"
                        yFract="0.34133891"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="O"
                        id="a34"
                        x3="1.60544021"
                        xFract="0.16396008"
                        y3="0.03766641"
                        yFract="0.00800558"
                        z3="11.64401393"
                        zFract="0.36496594"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a32" order="S"/>
                  <bond atomRefs2="a8 a34" order="S"/>
                  <bond atomRefs2="a8 a31" order="S"/>
                  <bond atomRefs2="a10 a33" order="S"/>
                  <bond atomRefs2="a11 a31" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a17 a33" order="S"/>
                  <bond atomRefs2="a18 a33" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
               </bondArray>
               <formula concise="Cu30O4">
                  <atomArray count="30 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1970.3776000000007</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/30Cu.4O">
                  <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/rA:34CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3OO4O1/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s8s11s13;s3s25;s2s10s17s18;s8;/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">354.0000</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">30 4</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 7 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="15">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="3240">-21.6092 -21.3358 -20.9492 -20.6997 -9.7999 -9.1950 -8.9980 -8.9979 -8.6169 -8.6146 -8.2608 -8.1098 -7.9635 -7.6249 -7.5176 -7.3413 -7.1801 -6.9990 -6.8214 -6.8061 -6.7288 -6.5625 -6.5358 -6.3814 -6.3630 -6.2965 -6.2761 -6.1635 -6.1135 -6.0278 -5.9909 -5.8886 -5.8697 -5.8162 -5.7971 -5.7943 -5.7258 -5.6611 -5.6470 -5.6391 -5.5856 -5.5801 -5.5606 -5.5310 -5.4945 -5.4194 -5.3849 -5.3606 -5.3392 -5.3327 -5.2824 -5.2444 -5.2362 -5.2075 -5.1761 -5.1419 -5.1388 -5.1021 -5.0837 -5.0786 -5.0509 -5.0404 -5.0014 -4.9641 -4.9309 -4.9303 -4.9104 -4.8901 -4.8401 -4.7957 -4.7901 -4.7710 -4.7600 -4.7366 -4.7253 -4.6896 -4.6829 -4.6649 -4.6591 -4.6324 -4.6287 -4.5787 -4.5692 -4.5483 -4.5316 -4.5187 -4.4879 -4.4736 -4.4556 -4.4453 -4.4165 -4.4158 -4.3820 -4.3803 -4.3564 -4.3507 -4.3445 -4.3236 -4.3048 -4.3011 -4.2895 -4.2602 -4.2446 -4.2339 -4.2332 -4.2147 -4.1819 -4.1699 -4.1690 -4.1413 -4.1358 -4.1259 -4.0875 -4.0861 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0.018064 0.014649 -0.045740 0.037346 -0.557233 -0.004915 -0.036497 -0.004322 -0.131750 0.107573 -0.520525 -0.161124 0.131557 0.606164 0.001993 0.013675 -0.002557 -1.189099 -0.611890 -1.318870 0.047749 0.016932 0.370817 0.133256 -0.108803 -0.633029 0.361708 1.287452 -1.318870 -0.224766 0.183521 0.946035 -0.007040 -0.050171 0.370817 0.309761 -0.221170 1.250367 -0.013001 -0.004687 -0.002557 1.087904 -0.888269 -0.775210 0.023620 -0.019286 0.073486 -0.390580 0.318907 0.337969 -0.008696 0.007101 -0.002596 0.009378 -0.007657 0.037815 0.278534 -0.259363 1.250497 -0.008573 0.007000 -0.003905 0.006788 -0.005543 0.007582 0.024172 -0.002800 0.004981 -0.039505 0.032256 -0.018577 0.007578 -0.023124 0.004981 -0.007101 0.005798 -0.009011 -0.023895 -0.005943 -0.020039 0.002329 -0.001902 -0.017457 0.030563 0.012509 -0.001236 0.001044 0.024601 -0.020039 -0.013074 0.009872 0.001632 -0.005810 0.004744 0.000690 -0.012287 0.010835 0.001632 -0.006234 0.005090 -0.003225 -0.019528 0.015944 0.014325 -0.046553 0.038010 -0.559277 -0.006144 -0.032447 -0.001236 -0.132295 0.108019 -0.516875 -0.161171 0.131596 0.606050 0.004171 0.013713 -0.005306 -1.189004 -0.612276 -1.319511 0.047707 0.017012 0.370645 0.133298 -0.108837 -0.633814 0.362105 1.287437 -1.319511 -0.224816 0.183562 0.945963 -0.007127 -0.050145 0.370645 0.309830 -0.221034 1.250497 -0.012601 -0.006830 -0.005306 1.089266 -0.889382 -0.779634 0.015946 -0.013020 0.041490 -0.390559 0.318890 0.337969 -0.006043 0.004934 -0.002941 -0.001010 0.000825 0.027322 0.278703 -0.259378 1.250392 -0.005653 0.004616 -0.003030 0.004802 -0.003921 0.009210 0.018912 -0.003026 0.001624 -0.026176 0.021373 -0.015517 0.006747 -0.017925 0.001624 -0.009407 0.007681 -0.009350 -0.019203 -0.005880 -0.015235 0.002755 -0.002250 -0.017499 0.019035 0.009118 -0.002500 0.001921 0.019991 -0.015235 -0.016596 0.011099 0.000496 0.004241 -0.003463 0.001511 -0.014194 0.014040 0.000496 -0.007744 0.006323 0.000525 -0.017664 0.014422 0.012036 -0.046442 0.037920 -0.555432 -0.005127 -0.020474 -0.002500 -0.131437 0.107318 -0.521415 -0.161090 0.131529 0.606177 0.002242 0.012102 -0.002757 -1.189286 -0.612157 -1.318772 0.047865 0.016922 0.370769 0.133368 -0.108894 -0.632288 0.361932 1.287689 -1.318772 -0.224769 0.183523 0.945945 -0.007007 -0.050282 0.370769 0.309878 -0.221196 1.250392 -0.011409 -0.004618 -0.002757 1.087221 -0.887712 -0.781389 0.009867 -0.008056 0.034915 -0.390164 0.318567 0.337673 -0.004452 0.003635 -0.001093 -0.001672 0.001365 0.020987 0.278844 -0.259351 1.250175 -0.002659 0.002171 -0.002805 0.002053 -0.001676 0.010458 0.013304 -0.001776 -0.002409 -0.005873 0.004795 -0.010372 0.004401 -0.012680 -0.002409 -0.012466 0.010179 -0.010454 -0.013099 -0.005856 -0.006610 0.003081 -0.002515 -0.017649 0.002313 0.004024 -0.005426 0.003118 0.014006 -0.006610 -0.021254 0.013031 -0.001012 0.017678 -0.014434 0.002597 -0.017018 0.018218 -0.001012 -0.008591 0.007014 0.008524 -0.014770 0.012060 0.009508 -0.046314 0.037815 -0.550146 -0.003480 -0.003071 -0.005426 -0.130250 0.106349 -0.528182 -0.161121 0.131555 0.606208 0.000168 0.009602 0.000619 -1.189774 -0.611901 -1.317912 0.048056 0.016844 0.370789 0.133363 -0.108891 -0.630321 0.361583 1.288116 -1.317912 -0.224837 0.183579 0.945797 -0.006892 -0.050454 0.370789 0.309880 -0.221340 1.250175 -0.009374 -0.002085 0.000619 1.084177 -0.885227 -0.784101 0.000548 -0.000448 0.026230 -0.389789 0.318261 0.337183 -0.001864 0.001522 0.000965 -0.003142 0.002566 0.010132</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">-122.68159326</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-122.67124218</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-122.67641772</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.2376</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4818422E-03</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">6.074153507060773</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="3.04605"
                        xFract="0.24729286"
                        y3="0.82184"
                        yFract="0.17467304"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.06641"
                        xFract="0.44497583"
                        y3="3.4205"
                        yFract="0.72698961"
                        z3="7.29156"
                        zFract="0.22854413"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.04007"
                        xFract="0.42666351"
                        y3="1.15415"
                        yFract="0.24530187"
                        z3="7.26687"
                        zFract="0.22777026"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.70404"
                        xFract="0.38845443"
                        y3="2.41678"
                        yFract="0.51365998"
                        z3="9.23863"
                        zFract="0.28957242"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.30468"
                        xFract="0.12550766"
                        y3="2.5711"
                        yFract="0.546459"
                        z3="8.51672"
                        zFract="0.26694512"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="3.93575"
                        xFract="0.38845493"
                        y3="0.25107"
                        yFract="0.05336216"
                        z3="9.23863"
                        zFract="0.28957242"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="1.45311"
                        xFract="0.13752455"
                        y3="0.16205"
                        yFract="0.03444194"
                        z3="8.60207"
                        zFract="0.2696203"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="1.80918"
                        xFract="0.02618089"
                        y3="1.90783"
                        yFract="0.40548826"
                        z3="10.82094"
                        zFract="0.3391678"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.21499"
                        xFract="0.64429723"
                        y3="2.48269"
                        yFract="0.52766842"
                        z3="9.69548"
                        zFract="0.30389177"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="10.46164"
                        xFract="0.84327139"
                        y3="2.89382"
                        yFract="0.61504958"
                        z3="8.40995"
                        zFract="0.26359856"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.65544"
                        xFract="0.02618067"
                        y3="4.16903"
                        yFract="0.88608142"
                        z3="10.82094"
                        zFract="0.3391678"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="6.94018"
                        xFract="0.56881554"
                        y3="1.80923"
                        yFract="0.38453192"
                        z3="11.61376"
                        zFract="0.36401767"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="4.52491"
                        xFract="0.3372637"
                        y3="1.57478"
                        yFract="0.33470215"
                        z3="11.28067"
                        zFract="0.35357741"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.61988"
                        xFract="0.56881587"
                        y3="3.86643"
                        yFract="0.82176713"
                        z3="11.61376"
                        zFract="0.36401767"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.27714"
                        xFract="0.30800768"
                        y3="4.06494"
                        yFract="0.86395824"
                        z3="10.9430"
                        zFract="0.3429936"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.33685"
                        xFract="0.65170274"
                        y3="0.09534"
                        yFract="0.02026347"
                        z3="9.98002"
                        zFract="0.31281029"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="9.76891"
                        xFract="0.91396037"
                        y3="1.21392"
                        yFract="0.25800533"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.2615"
                        xFract="0.84327222"
                        y3="0.1992"
                        yFract="0.04233777"
                        z3="8.40995"
                        zFract="0.26359856"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="4.00646"
                        xFract="0.24729348"
                        y3="1.99809"
                        yFract="0.42467203"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.92728"
                        xFract="0.58062726"
                        y3="0.42975"
                        yFract="0.09133863"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.65302"
                        xFract="0.18467875"
                        y3="1.07698"
                        yFract="0.22890024"
                        z3="6.54998"
                        zFract="0.2053003"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.8085"
                        xFract="0.58062636"
                        y3="3.95852"
                        yFract="0.84133984"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.8085"
                        xFract="0.91395975"
                        y3="0.03767"
                        yFract="0.00800634"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.92728"
                        xFract="0.24729386"
                        y3="4.3506"
                        yFract="0.92467213"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.88768"
                        xFract="0.58062598"
                        y3="1.60601"
                        yFract="0.34133974"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.84809"
                        xFract="0.58062659"
                        y3="2.78226"
                        yFract="0.59133873"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="10.72932"
                        xFract="0.91396013"
                        y3="2.39018"
                        yFract="0.50800644"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.96687"
                        xFract="0.24729324"
                        y3="3.17435"
                        yFract="0.67467314"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.63828"
                        xFract="0.18467935"
                        y3="3.50841"
                        yFract="0.74567392"
                        z3="6.54998"
                        zFract="0.2053003"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="11.68972"
                        xFract="0.91395971"
                        y3="3.56643"
                        yFract="0.75800543"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="O"
                        id="a31"
                        x3="3.12071"
                        xFract="0.09358292"
                        y3="2.7213"
                        yFract="0.57838235"
                        z3="11.82679"
                        zFract="0.37069481"/>
                  <atom elementType="O"
                        id="a32"
                        x3="6.40748"
                        xFract="0.66395975"
                        y3="0.03767"
                        yFract="0.00800634"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="O"
                        id="a33"
                        x3="8.64192"
                        xFract="0.71838495"
                        y3="2.13411"
                        yFract="0.45358158"
                        z3="7.76231"
                        zFract="0.24329916"/>
                  <atom elementType="O"
                        id="a34"
                        x3="0.29835"
                        xFract="-0.06286881"
                        y3="1.1049"
                        yFract="0.23483433"
                        z3="10.06283"
                        zFract="0.31540586"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a22" order="S"/>
                  <bond atomRefs2="a2 a25" order="S"/>
                  <bond atomRefs2="a2 a29" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a32" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a16" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a7 a34" order="S"/>
                  <bond atomRefs2="a8 a34" order="S"/>
                  <bond atomRefs2="a8 a31" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a10 a30" order="S"/>
                  <bond atomRefs2="a10 a33" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a31" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a17 a33" order="S"/>
                  <bond atomRefs2="a18 a33" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a24 a29" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
               </bondArray>
               <formula concise="Cu30O4">
                  <atomArray count="30 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1970.3776000000007</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/30Cu.4O">
                  <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/rA:34CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3OO5O/rB:;;s2s3;s3s4;s3s5;s6;;s4;s9;;s9;s4s6s12;s9s12;s4s11s12s14;s4s6s12s13;;s9s16;;;s3s5s7s19;s2;;;s2s3;;;;s2s3s5s19s24;s10;s8s11s13;s3s25;s2s9s10s17s18;s7s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
