<?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">2022-08-03T18:57:01.000</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="2.32176445"
                        xFract="0.16874729"
                        y3="0.85867106"
                        yFract="0.18250108"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.12380452"
                        xFract="0.50208063"
                        y3="2.81909569"
                        yFract="0.59916775"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.20298852"
                        xFract="0.50208063"
                        y3="0.46658616"
                        yFract="0.09916775"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.16339652"
                        xFract="0.50208063"
                        y3="1.64284092"
                        yFract="0.34916775"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.28217245"
                        xFract="0.16874729"
                        y3="2.03492583"
                        yFract="0.43250108"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.08421251"
                        xFract="0.50208063"
                        y3="3.99535046"
                        yFract="0.84916775"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.20298845"
                        xFract="0.16874729"
                        y3="4.38743537"
                        yFract="0.93250108"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="2.32176445"
                        xFract="0.16874729"
                        y3="0.85867106"
                        yFract="0.18250108"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.04462049"
                        xFract="0.83541396"
                        y3="1.25075602"
                        yFract="0.26583442"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="10.00502849"
                        xFract="0.83541396"
                        y3="2.42701079"
                        yFract="0.51583442"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="4.24258045"
                        xFract="0.16874729"
                        y3="3.2111806"
                        yFract="0.68250108"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.08421249"
                        xFract="0.83541396"
                        y3="0.07450125"
                        yFract="0.01583442"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.20298852"
                        xFract="0.50208063"
                        y3="0.46658616"
                        yFract="0.09916775"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="10.00502849"
                        xFract="0.83541396"
                        y3="2.42701079"
                        yFract="0.51583442"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.12380452"
                        xFract="0.50208063"
                        y3="2.81909569"
                        yFract="0.59916775"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="10.96543649"
                        xFract="0.83541396"
                        y3="3.60326555"
                        yFract="0.76583442"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="9.04462049"
                        xFract="0.83541396"
                        y3="1.25075602"
                        yFract="0.26583442"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.08421249"
                        xFract="0.83541396"
                        y3="0.07450125"
                        yFract="0.01583442"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.28217245"
                        xFract="0.16874729"
                        y3="2.03492583"
                        yFract="0.43250108"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.20298852"
                        xFract="0.50208063"
                        y3="0.46658616"
                        yFract="0.09916775"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.32176445"
                        xFract="0.16874729"
                        y3="0.85867106"
                        yFract="0.18250108"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.08421251"
                        xFract="0.50208063"
                        y3="3.99535046"
                        yFract="0.84916775"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.08421249"
                        xFract="0.83541396"
                        y3="0.07450125"
                        yFract="0.01583442"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.20298845"
                        xFract="0.16874729"
                        y3="4.38743537"
                        yFract="0.93250108"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.16339652"
                        xFract="0.50208063"
                        y3="1.64284092"
                        yFract="0.34916775"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.12380452"
                        xFract="0.50208063"
                        y3="2.81909569"
                        yFract="0.59916775"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="10.00502849"
                        xFract="0.83541396"
                        y3="2.42701079"
                        yFract="0.51583442"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.24258045"
                        xFract="0.16874729"
                        y3="3.2111806"
                        yFract="0.68250108"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.24258045"
                        xFract="0.16874729"
                        y3="3.2111806"
                        yFract="0.68250108"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="10.96543649"
                        xFract="0.83541396"
                        y3="3.60326555"
                        yFract="0.76583442"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="O"
                        id="a31"
                        x3="8.56441651"
                        xFract="0.75208063"
                        y3="1.64284092"
                        yFract="0.34916775"
                        z3="8.13709986"
                        zFract="0.25504644"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a31" order="S"/>
                  <bond atomRefs2="a10 a31" order="S"/>
                  <bond atomRefs2="a17 a31" order="S"/>
                  <bond atomRefs2="a18 a31" order="S"/>
               </bondArray>
               <formula concise="Cu30O">
                  <atomArray count="30 1" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1922.379400000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/30Cu.O">
                  <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/rA:31CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s10s17s18;/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">336.0000</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 1</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="3120">-21.8322 -10.2755 -9.2340 -8.9366 -8.9319 -8.3400 -7.6518 -7.5925 -7.2248 -7.0703 -7.0052 -6.8098 -6.6774 -6.5795 -6.5644 -6.4828 -6.3895 -6.3471 -6.2858 -6.2736 -6.1755 -6.1477 -6.1136 -6.0689 -5.9802 -5.9768 -5.9691 -5.9201 -5.8738 -5.8144 -5.7891 -5.7850 -5.7450 -5.7189 -5.6652 -5.6479 -5.6180 -5.5821 -5.5459 -5.5425 -5.4880 -5.4232 -5.4041 -5.3942 -5.3776 -5.3693 -5.3039 -5.2978 -5.2776 -5.2567 -5.2241 -5.1898 -5.1686 -5.1330 -5.1146 -5.1083 -5.0796 -5.0748 -5.0374 -5.0246 -4.9597 -4.9392 -4.8922 -4.8867 -4.8817 -4.8329 -4.8275 -4.8206 -4.7893 -4.7779 -4.7568 -4.7334 -4.6910 -4.6872 -4.6780 -4.6496 -4.5978 -4.5695 -4.5694 -4.5546 -4.5480 -4.5204 -4.5153 -4.4944 -4.4761 -4.4543 -4.4454 -4.4344 -4.4280 -4.4047 -4.3916 -4.3900 -4.3726 -4.3509 -4.3271 -4.3268 -4.3120 -4.3118 -4.2941 -4.2843 -4.2589 -4.2478 -4.2093 -4.1840 -4.1796 -4.1776 -4.1688 -4.1615 -4.1558 -4.1431 -4.1360 -4.1115 -4.1031 -4.0958 -4.0782 -4.0728 -4.0625 -4.0614 -4.0567 -4.0502 -4.0442 -4.0276 -4.0196 -4.0103 -3.9948 -3.9826 -3.9671 -3.9671 -3.9440 -3.9301 -3.9183 -3.9030 -3.9019 -3.8915 -3.8729 -3.8687 -3.8508 -3.8315 -3.8156 -3.8018 -3.7848 -3.7671 -3.7545 -3.7499 -3.7413 -3.7403 -3.7368 -3.7052 -3.6989 -3.6882 -3.6652 -3.6520 -3.6400 -3.6238 -3.5749 -3.5487 -3.5447 -3.5033 -3.4842 -3.4753 -3.4398 -3.3436 -3.1066 -2.9452 -2.9219 -2.6784 -2.5334 -2.4749 -2.2613 -2.0374 -1.7960 -1.7761 -1.6622 -1.6132 -1.2918 -0.9852 -0.9600 -0.6731 -0.5908 -0.4143 -0.2150 -0.1363 0.1616 0.2979 0.5592 1.0037 1.1017 1.1475 1.3983 1.6782 1.6885 2.0219 2.0352 2.0756 2.1787 2.4197 2.6581 2.6950 2.8286 2.8670 2.9838 3.2340 3.2549 3.5181 3.6056 3.8658 4.0434 4.1001 -21.8320 -10.2155 -9.2949 -8.9354 -8.7209 -8.4986 -8.1687 -7.3101 -7.1254 -7.0708 -7.0530 -6.8129 -6.6527 -6.5949 -6.5658 -6.4625 -6.3971 -6.3299 -6.2951 -6.2278 -6.1771 -6.1285 -6.0880 -6.0506 -6.0248 -5.9963 -5.9209 -5.9186 -5.8851 -5.8278 -5.8241 -5.7774 -5.7762 -5.7283 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-0.002425 0.001980 0.014482 -0.014104 -0.006771 -0.003709 -0.010868 0.008873 0.022358 0.003814 0.015173 -0.003709 0.005313 -0.004338 0.009633 0.011956 -0.003576 -0.001118 -0.005268 0.004301 0.000666 0.003808 -0.002663 0.005193 0.005895 -0.010999 -0.001118 0.001660 -0.000539 -0.017911 -0.007055 0.005760 0.010813 0.000860 -0.001518 -0.017911 0.000835 -0.000682 -0.007070 0.001104 -0.000901 0.020083 0.340327 -0.277876 -0.484852 0.003371 -0.003199 0.005193 0.115566 -0.094359 -0.774913 -0.221337 0.180721 0.925961 0.003311 0.002990 -0.007802 0.299948 0.180413 -1.082900 -0.007923 0.007219 0.425784 -0.043110 0.035199 -0.669840 -0.116778 -0.329971 -1.082900 -0.166108 0.135627 0.766227 -0.008658 0.006319 0.425784 0.260524 -0.278023 1.285462 -0.002267 -0.003842 -0.007802 -0.784202 0.640298 -1.066587 -0.024481 0.019989 0.031208 0.324633 -0.199333 1.285304 0.000774 -0.000632 -0.006218 -0.002752 0.002247 0.001424 -0.004085 -0.006689 0.011266 -0.012742 0.010404 0.003962 0.005737 0.005341 0.011266 -0.000976 0.000797 0.001680 0.002298 -0.009698 0.003184 0.009663 -0.007889 0.003014 0.003345 -0.002693 0.000038 0.009962 -0.000311 0.003184 -0.008566 0.004520 -0.012446 0.002901 -0.002369 0.005564 -0.006142 0.007489 -0.012446 -0.002945 0.002404 -0.014299 -0.001447 0.001181 0.020544 0.335022 -0.273544 -0.479319 0.003307 -0.002739 0.000038 0.116720 -0.095301 -0.778049 -0.221584 0.180922 0.925915 -0.000504 -0.003530 0.001984 0.300625 0.179110 -1.082123 -0.007886 0.007418 0.426276 -0.044159 0.036056 -0.668856 -0.115366 -0.330373 -1.082123 -0.166227 0.135723 0.766402 -0.008845 0.006243 0.426276 0.260233 -0.278208 1.285304 0.003358 0.001200 0.001984 -0.782267 0.638719 -1.067486 0.007915 -0.006462 0.018756</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">-103.16622117</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-103.16172824</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-103.16397470</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.3485</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5159475E-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="2.32176"
                        xFract="0.16874692"
                        y3="0.85867"
                        yFract="0.18250085"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.11051"
                        xFract="0.32623679"
                        y3="3.64644"
                        yFract="0.77501067"
                        z3="7.19267"
                        zFract="0.22544456"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="4.31361"
                        xFract="0.34774029"
                        y3="1.19276"
                        yFract="0.25350801"
                        z3="6.95362"
                        zFract="0.21795186"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="4.73969"
                        xFract="0.27834115"
                        y3="2.53091"
                        yFract="0.53791705"
                        z3="8.93222"
                        zFract="0.27996841"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="2.2851"
                        xFract="-0.00428185"
                        y3="2.84903"
                        yFract="0.60552996"
                        z3="8.41493"
                        zFract="0.26375465"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="3.08771"
                        xFract="0.2783408"
                        y3="0.50766"
                        yFract="0.10789754"
                        z3="8.93222"
                        zFract="0.27996841"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="0.60975"
                        xFract="0.03831552"
                        y3="0.2961"
                        yFract="0.06293279"
                        z3="8.47646"
                        zFract="0.26568323"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="1.38447"
                        xFract="-0.00872579"
                        y3="1.79826"
                        yFract="0.38220036"
                        z3="10.43719"
                        zFract="0.32713967"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.60964"
                        xFract="0.75992911"
                        y3="1.60591"
                        yFract="0.34131849"
                        z3="9.68623"
                        zFract="0.30360184"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="8.91966"
                        xFract="0.62124023"
                        y3="3.61694"
                        yFract="0.76874077"
                        z3="8.00891"
                        zFract="0.2510285"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.13452"
                        xFract="-0.00872538"
                        y3="3.94162"
                        yFract="0.83774793"
                        z3="10.43719"
                        zFract="0.32713967"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="6.36683"
                        xFract="0.51442872"
                        y3="1.74675"
                        yFract="0.37125248"
                        z3="10.56398"
                        zFract="0.33111373"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="3.86473"
                        xFract="0.26984275"
                        y3="1.55927"
                        yFract="0.33140567"
                        z3="10.99114"
                        zFract="0.34450249"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.02309"
                        xFract="0.51442838"
                        y3="3.77525"
                        yFract="0.80238782"
                        z3="10.56398"
                        zFract="0.33111373"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="5.5915"
                        xFract="0.2361683"
                        y3="4.07022"
                        yFract="0.86508045"
                        z3="10.68241"
                        zFract="0.33482576"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="10.3467"
                        xFract="0.72804022"
                        y3="4.10846"
                        yFract="0.87320794"
                        z3="9.92991"
                        zFract="0.31123966"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="9.04462"
                        xFract="0.83541357"
                        y3="1.25076"
                        yFract="0.26583527"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="6.70126"
                        xFract="0.62124159"
                        y3="0.89995"
                        yFract="0.19127446"
                        z3="8.00891"
                        zFract="0.2510285"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.28217"
                        xFract="0.16874668"
                        y3="2.03493"
                        yFract="0.43250197"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.20299"
                        xFract="0.50208046"
                        y3="0.46659"
                        yFract="0.09916857"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="1.88633"
                        xFract="0.09148639"
                        y3="1.23416"
                        yFract="0.26230712"
                        z3="6.48957"
                        zFract="0.20340683"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.08421"
                        xFract="0.50208041"
                        y3="3.99535"
                        yFract="0.84916765"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.08421"
                        xFract="0.83541381"
                        y3="0.0745"
                        yFract="0.01583415"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.20299"
                        xFract="0.16874706"
                        y3="4.38744"
                        yFract="0.93250206"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.1634"
                        xFract="0.50208107"
                        y3="1.64284"
                        yFract="0.34916755"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.1238"
                        xFract="0.50207979"
                        y3="2.8191"
                        yFract="0.59916867"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="10.00503"
                        xFract="0.83541418"
                        y3="2.42701"
                        yFract="0.51583425"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.24258"
                        xFract="0.16874729"
                        y3="3.21118"
                        yFract="0.68250095"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="3.78759"
                        xFract="0.09148625"
                        y3="3.56272"
                        yFract="0.75721691"
                        z3="6.48957"
                        zFract="0.20340683"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="10.96544"
                        xFract="0.83541395"
                        y3="3.60327"
                        yFract="0.76583536"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="O"
                        id="a31"
                        x3="7.5928"
                        xFract="0.58346908"
                        y3="2.43616"
                        yFract="0.51777898"
                        z3="6.74538"
                        zFract="0.21142485"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a22" order="S"/>
                  <bond atomRefs2="a2 a25" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a29" order="S"/>
                  <bond atomRefs2="a2 a31" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a18" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a8 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a30" order="S"/>
                  <bond atomRefs2="a10 a16" order="S"/>
                  <bond atomRefs2="a10 a31" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a17 a31" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a18 a31" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a24 a29" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
               </bondArray>
               <formula concise="Cu30O">
                  <atomArray count="30 1" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1922.379400000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/30Cu.O">
                  <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/rA:31CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO6/rB:;;s2s3;s4;s3s4s5;s6;s5s6s7;;s9;s4s5;s4s9;s4s6s8s11s12;s9s12;s4s11s12s14;s10s14;;s3s9;s3;;s3s5s7s19;s2s10;;;s2s3s18;;;;s2s3s5s19s24;s10;s2s10s17s18s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
