<?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">
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               </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">
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               <parameter dictRef="cc:rundate">
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               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <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>
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                        z3="10.76728525"
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                        id="a25"
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                        xFract="0.42534346"
                        y3="3.22235408"
                        yFract="0.34243794"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="O"
                        id="a80"
                        x3="9.59729768"
                        xFract="0.92534346"
                        y3="0.86984454"
                        yFract="0.09243794"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="O"
                        id="a81"
                        x3="4.7952577"
                        xFract="0.42534346"
                        y3="0.86984454"
                        yFract="0.09243794"
                        z3="9.8905569"
                        zFract="0.31000619"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a69" order="S"/>
                  <bond atomRefs2="a3 a65" order="S"/>
                  <bond atomRefs2="a4 a69" order="S"/>
                  <bond atomRefs2="a4 a68" order="S"/>
                  <bond atomRefs2="a5 a62" order="S"/>
                  <bond atomRefs2="a5 a71" order="S"/>
                  <bond atomRefs2="a6 a63" order="S"/>
                  <bond atomRefs2="a6 a71" order="S"/>
                  <bond atomRefs2="a7 a71" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a12 a68" order="S"/>
                  <bond atomRefs2="a14 a73" order="S"/>
                  <bond atomRefs2="a14 a70" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a16 a70" order="S"/>
                  <bond atomRefs2="a17 a63" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a20 a68" order="S"/>
                  <bond atomRefs2="a21 a65" order="S"/>
                  <bond atomRefs2="a22 a65" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a67" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a30 a64" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a31 a65" order="S"/>
                  <bond atomRefs2="a32 a72" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a76" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a78" order="S"/>
                  <bond atomRefs2="a35 a78" order="S"/>
                  <bond atomRefs2="a36 a72" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a39 a62" order="S"/>
                  <bond atomRefs2="a39 a79" order="S"/>
                  <bond atomRefs2="a40 a77" order="S"/>
                  <bond atomRefs2="a41 a79" order="S"/>
                  <bond atomRefs2="a42 a79" order="S"/>
                  <bond atomRefs2="a43 a79" order="S"/>
                  <bond atomRefs2="a44 a77" order="S"/>
                  <bond atomRefs2="a45 a75" order="S"/>
                  <bond atomRefs2="a47 a80" order="S"/>
                  <bond atomRefs2="a48 a74" order="S"/>
                  <bond atomRefs2="a49 a76" order="S"/>
                  <bond atomRefs2="a49 a78" order="S"/>
                  <bond atomRefs2="a50 a75" order="S"/>
                  <bond atomRefs2="a51 a74" order="S"/>
                  <bond atomRefs2="a53 a75" order="S"/>
                  <bond atomRefs2="a53 a71" order="S"/>
                  <bond atomRefs2="a54 a62" order="S"/>
                  <bond atomRefs2="a55 a81" order="S"/>
                  <bond atomRefs2="a56 a75" order="S"/>
                  <bond atomRefs2="a56 a81" order="S"/>
                  <bond atomRefs2="a57 a81" order="S"/>
                  <bond atomRefs2="a58 a78" order="S"/>
                  <bond atomRefs2="a59 a72" order="S"/>
                  <bond atomRefs2="a60 a73" order="S"/>
                  <bond atomRefs2="a60 a80" order="S"/>
               </bondArray>
               <formula concise="Cu60O21">
                  <atomArray count="60 21" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4148.7473999999975</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.21O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81/rA:81CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4O1O4OO3O4O3OO4O3O4O3O4O3O3O4O4OO3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s24s26s27s28;s5s27s39s54;s6s8s11s17;s30;s3s21s22s31;s12s18;s19s25s30;s4s12s19s20;s2s4s9;s14s16;s5s6s7s53;s32s36s59;s14s15s33s60;s38s48s51;s45s50s53s56;s20s33s49;s34s40s44;s34s35s49s58;s39s41s42s43;s47s60;s55s56s57;/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">786.0000</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 21</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="4720">-21.9911 -21.9246 -21.8872 -21.8714 -21.8128 -21.7792 -21.6655 -21.6439 -21.5496 -21.4376 -21.4262 -21.2357 -21.0857 -21.0542 -20.9612 -20.8683 -20.7016 -20.5102 -20.0120 -19.5917 -19.5468 -9.2310 -9.1496 -9.0841 -9.0514 -9.0013 -8.9685 -8.9180 -8.9063 -8.8831 -8.8483 -8.8236 -8.7804 -8.7365 -8.6916 -8.6408 -8.6265 -8.6075 -8.5631 -8.4726 -8.4492 -8.4248 -8.4158 -8.4034 -8.3600 -8.3235 -8.2719 -8.1961 -8.1711 -8.1114 -8.0491 -7.9409 -7.9152 -7.8294 -7.7647 -7.7368 -7.7141 -7.6918 -7.6564 -7.6179 -7.6147 -7.5835 -7.5382 -7.4840 -7.4421 -7.4167 -7.3586 -7.3388 -7.2909 -7.2537 -7.2452 -7.2248 -7.2014 -7.1028 -7.0810 -7.0444 -6.9080 -6.8139 -6.6910 -6.5710 -6.4000 -6.3743 -6.1521 -6.0851 -6.0347 -5.9492 -5.9448 -5.8714 -5.7899 -5.7593 -5.7454 -5.6333 -5.5641 -5.5452 -5.5141 -5.4650 -5.4386 -5.4101 -5.3997 -5.3385 -5.3228 -5.2912 -5.2786 -5.2668 -5.2438 -5.2271 -5.2007 -5.1799 -5.1542 -5.1381 -5.1330 -5.1086 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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">-332.25527511</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-332.24882570</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-332.25205040</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.3705</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1585813E+00</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="2.39424"
                        xFract="0.17534408"
                        y3="0.86984"
                        yFract="0.09243746"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.73012"
                        xFract="0.14664721"
                        y3="7.74248"
                        yFract="0.82278944"
                        z3="7.0276"
                        zFract="0.22027066"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.23587"
                        xFract="0.1753438"
                        y3="5.57486"
                        yFract="0.59243756"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.87282"
                        xFract="0.48716661"
                        y3="7.58611"
                        yFract="0.80617208"
                        z3="8.15977"
                        zFract="0.255757"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.89437"
                        xFract="0.48074483"
                        y3="5.23855"
                        yFract="0.55669806"
                        z3="8.10565"
                        zFract="0.25406069"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.09548"
                        xFract="0.50701579"
                        y3="6.40059"
                        yFract="0.68018747"
                        z3="10.74053"
                        zFract="0.33664745"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.10288"
                        xFract="0.16208783"
                        y3="6.79265"
                        yFract="0.72185148"
                        z3="10.10215"
                        zFract="0.31663829"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.17292"
                        xFract="0.53380879"
                        y3="8.62977"
                        yFract="0.9170813"
                        z3="10.51473"
                        zFract="0.32957006"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.13123"
                        xFract="0.17312891"
                        y3="9.14699"
                        yFract="0.97204601"
                        z3="10.03668"
                        zFract="0.31458622"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.16965"
                        xFract="0.20517555"
                        y3="5.14286"
                        yFract="0.54652913"
                        z3="12.04308"
                        zFract="0.37747413"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.31421"
                        xFract="0.90965926"
                        y3="5.6066"
                        yFract="0.59581055"
                        z3="11.64989"
                        zFract="0.36515012"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.89346"
                        xFract="0.84371296"
                        y3="7.09173"
                        yFract="0.75363456"
                        z3="8.95194"
                        zFract="0.28058651"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.50079"
                        xFract="0.19923141"
                        y3="8.06783"
                        yFract="0.85736422"
                        z3="12.15879"
                        zFract="0.3811009"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.84339"
                        xFract="0.79387573"
                        y3="5.16713"
                        yFract="0.54910829"
                        z3="13.89374"
                        zFract="0.43548057"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.89515"
                        xFract="0.47533914"
                        y3="5.30309"
                        yFract="0.5635567"
                        z3="12.7811"
                        zFract="0.40060637"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.89704"
                        xFract="0.8020574"
                        y3="7.58609"
                        yFract="0.80616995"
                        z3="13.74632"
                        zFract="0.43085989"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.93247"
                        xFract="0.50136558"
                        y3="7.49215"
                        yFract="0.796187"
                        z3="12.91184"
                        zFract="0.40470424"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.91047"
                        xFract="0.84680308"
                        y3="8.30096"
                        yFract="0.88213883"
                        z3="11.7091"
                        zFract="0.36700598"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.95873"
                        xFract="0.84201045"
                        y3="5.96695"
                        yFract="0.63410476"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.14472"
                        xFract="0.85814687"
                        y3="4.78019"
                        yFract="0.50798838"
                        z3="9.11851"
                        zFract="0.28580742"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.19628"
                        xFract="0.17534356"
                        y3="6.75112"
                        yFract="0.71743811"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.11709"
                        xFract="0.5086763"
                        y3="5.18278"
                        yFract="0.55077141"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.22251"
                        xFract="0.17686366"
                        y3="5.54062"
                        yFract="0.58879889"
                        z3="7.22852"
                        zFract="0.22656823"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.99832"
                        xFract="0.50867729"
                        y3="8.71154"
                        yFract="0.92577095"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.99832"
                        xFract="0.84201069"
                        y3="4.79069"
                        yFract="0.50910421"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.11709"
                        xFract="0.1753429"
                        y3="9.10363"
                        yFract="0.96743816"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="10.0775"
                        xFract="0.50867691"
                        y3="6.35903"
                        yFract="0.67577091"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="11.03791"
                        xFract="0.50867668"
                        y3="7.53529"
                        yFract="0.80077146"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.87954"
                        xFract="0.84200979"
                        y3="8.31946"
                        yFract="0.88410481"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.91913"
                        xFract="0.84201003"
                        y3="7.1432"
                        yFract="0.75910426"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.15669"
                        xFract="0.17534418"
                        y3="7.92737"
                        yFract="0.8424376"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.32843"
                        xFract="0.16680508"
                        y3="0.88968"
                        yFract="0.09454584"
                        z3="7.3511"
                        zFract="0.23041033"/>
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                        x3="11.08685"
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                        y3="3.54858"
                        yFract="0.3771058"
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                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a30 a64" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a31 a65" order="S"/>
                  <bond atomRefs2="a32 a72" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
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                  <bond atomRefs2="a34 a78" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a35 a56" order="S"/>
                  <bond atomRefs2="a35 a78" order="S"/>
                  <bond atomRefs2="a36 a72" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
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                  <bond atomRefs2="a40 a77" order="S"/>
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                  <bond atomRefs2="a42 a57" order="S"/>
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                  <bond atomRefs2="a43 a79" order="S"/>
                  <bond atomRefs2="a44 a77" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
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                  <bond atomRefs2="a45 a75" order="S"/>
                  <bond atomRefs2="a47 a80" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a48 a74" order="S"/>
                  <bond atomRefs2="a49 a76" order="S"/>
                  <bond atomRefs2="a49 a78" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a50 a75" order="S"/>
                  <bond atomRefs2="a51 a74" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a53 a75" order="S"/>
                  <bond atomRefs2="a53 a71" order="S"/>
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                  <bond atomRefs2="a55 a81" order="S"/>
                  <bond atomRefs2="a56 a81" order="S"/>
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                  <bond atomRefs2="a60 a73" order="S"/>
                  <bond atomRefs2="a60 a80" order="S"/>
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               <formula concise="Cu60O21">
                  <atomArray count="60 21" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
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               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.21O">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
