<?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">2022-08-03T18:43:04.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.074153507</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507141149</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.158932534</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.40022369"
                        xFract="0.26343574"
                        y3="1.38576979"
                        yFract="0.26343574"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.91876209"
                        xFract="0.43010241"
                        y3="2.26249835"
                        yFract="0.43010241"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.95583885"
                        xFract="0.93010241"
                        y3="2.26249835"
                        yFract="0.43010241"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.43730047"
                        xFract="0.43010241"
                        y3="4.89268397"
                        yFract="0.93010241"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.47437722"
                        xFract="0.93010241"
                        y3="4.89268397"
                        yFract="0.93010241"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="6.95583882"
                        xFract="0.76343574"
                        y3="4.01595541"
                        yFract="0.76343574"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="3.91876206"
                        xFract="0.26343574"
                        y3="4.01595541"
                        yFract="0.76343574"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.43730044"
                        xFract="0.76343574"
                        y3="1.38576979"
                        yFract="0.26343574"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.40022369"
                        xFract="0.26343574"
                        y3="1.38576979"
                        yFract="0.26343574"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.88168528"
                        xFract="0.09676907"
                        y3="0.50904123"
                        yFract="0.09676907"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.40022366"
                        xFract="0.09676907"
                        y3="3.13922686"
                        yFract="0.59676907"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.43730041"
                        xFract="0.59676907"
                        y3="3.13922686"
                        yFract="0.59676907"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="3.91876203"
                        xFract="0.59676907"
                        y3="0.50904123"
                        yFract="0.09676907"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.43730044"
                        xFract="0.76343574"
                        y3="1.38576979"
                        yFract="0.26343574"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.91876209"
                        xFract="0.43010241"
                        y3="2.26249835"
                        yFract="0.43010241"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.91876206"
                        xFract="0.26343574"
                        y3="4.01595541"
                        yFract="0.76343574"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="6.95583882"
                        xFract="0.76343574"
                        y3="4.01595541"
                        yFract="0.76343574"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="6.95583885"
                        xFract="0.93010241"
                        y3="2.26249835"
                        yFract="0.43010241"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.43730047"
                        xFract="0.43010241"
                        y3="4.89268397"
                        yFract="0.93010241"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.47437722"
                        xFract="0.93010241"
                        y3="4.89268397"
                        yFract="0.93010241"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.88168528"
                        xFract="0.09676907"
                        y3="0.50904123"
                        yFract="0.09676907"
                        z3="5.71964407"
                        zFract="0.20312006"/>
                  <atom elementType="O"
                        id="a22"
                        x3="0.88168528"
                        xFract="0.09676907"
                        y3="0.50904123"
                        yFract="0.09676907"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="O"
                        id="a23"
                        x3="0.88168528"
                        xFract="0.09676907"
                        y3="0.50904123"
                        yFract="0.09676907"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a24"
                        x3="3.91876209"
                        xFract="0.43010241"
                        y3="2.26249835"
                        yFract="0.43010241"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="O"
                        id="a25"
                        x3="6.95583882"
                        xFract="0.76343574"
                        y3="4.01595541"
                        yFract="0.76343574"
                        z3="8.19940696"
                        zFract="0.29118316"/>
                  <atom elementType="O"
                        id="a26"
                        x3="0.88168528"
                        xFract="0.09676907"
                        y3="0.50904123"
                        yFract="0.09676907"
                        z3="13.15893246"
                        zFract="0.46730935"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a24" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
               </bondArray>
               <formula concise="Cu20O6">
                  <atomArray count="20 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1366.9164</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.6O">
                  <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/rA:26CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1OO1O4OO0/rB:;;;;;;;;;;;;;;;;;;;s10;s9s10;s1;s11s12s13s15;s6s12;;/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">256.0000</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">20 6</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">9 9 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="12">1 2 3 4 5 6 7 8 9 10 11 12</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1920">-21.8618 -21.7044 -21.3935 -20.7224 -20.3911 -19.8216 -9.0520 -9.0519 -8.7486 -8.5967 -8.3806 -8.3805 -8.3645 -7.6941 -7.6940 -7.5767 -7.3746 -7.3744 -7.2947 -7.1307 -7.1306 -6.9189 -6.9188 -6.6442 -6.2176 -5.9478 -5.8020 -5.3906 -5.3466 -5.3466 -5.2855 -5.1938 -5.1937 -5.1768 -5.1211 -5.1211 -4.9742 -4.9252 -4.9252 -4.8938 -4.8696 -4.8695 -4.7852 -4.7852 -4.6861 -4.6861 -4.5972 -4.5972 -4.5374 -4.5309 -4.5309 -4.4772 -4.4772 -4.4637 -4.4226 -4.4226 -4.3357 -4.2408 -4.2408 -4.2398 -4.2135 -4.2135 -4.1746 -4.1746 -4.1520 -4.1520 -4.1272 -4.1032 -4.0409 -4.0409 -4.0253 -3.9948 -3.9905 -3.9905 -3.9781 -3.9692 -3.9540 -3.9540 -3.9164 -3.9164 -3.8867 -3.8867 -3.8646 -3.8632 -3.8632 -3.7853 -3.7853 -3.7739 -3.7739 -3.7474 -3.7448 -3.7448 -3.7216 -3.7216 -3.6628 -3.6509 -3.6429 -3.6133 -3.6133 -3.6009 -3.5875 -3.5811 -3.5811 -3.5772 -3.5772 -3.5239 -3.5239 -3.5182 -3.4916 -3.4916 -3.4801 -3.4264 -3.3652 -3.1893 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-3.8942 -3.8761 -3.8568 -3.8554 -3.8147 -3.7938 -3.7930 -3.7796 -3.7636 -3.7539 -3.7480 -3.7257 -3.7197 -3.6984 -3.6815 -3.6545 -3.6471 -3.6321 -3.6171 -3.6110 -3.6045 -3.5847 -3.5789 -3.5770 -3.5737 -3.5330 -3.5198 -3.4976 -3.4674 -3.4467 -3.4265 -3.3230 -3.2525 -3.2485 -3.1251 -3.0492 -3.0185 -2.9944 -2.9521 -2.9162 -2.8855 -2.8544 -2.7602 -2.7191 -2.6172 -2.3449 -2.3112 -1.8150 -1.5971 -1.5189 -1.1234 -0.5829 -0.3562 -0.1928 -0.0452 0.0058 0.2124 0.4091 0.5848 0.6808 0.8475 1.0282 1.3239 1.3611 1.9149 2.0279 2.3110 2.5487 2.7494 2.9984 3.1850 3.2984 3.4408 3.6346 3.8859 4.0641 4.1976 4.3298 4.6355 -21.8206 -21.7048 -21.4364 -20.7226 -20.3901 -19.8202 -9.0450 -8.9795 -8.7306 -8.5970 -8.4922 -8.3648 -8.2863 -7.7500 -7.6756 -7.6024 -7.4685 -7.3649 -7.3531 -7.2146 -7.0653 -6.9094 -6.8194 -6.4870 -6.1288 -5.7845 -5.7341 -5.5066 -5.3419 -5.3164 -5.2396 -5.2025 -5.1875 -5.1297 -5.0621 -5.0245 -4.9439 -4.9284 -4.8731 -4.8460 -4.8059 -4.8047 -4.7666 -4.7590 -4.6771 -4.6368 -4.6337 -4.5866 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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
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                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-104.18200449</array>
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                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-104.18200449</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-104.18200449</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.1364</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4098507E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.074153507</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507141149</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.158932534</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.40022"
                        xFract="0.26343511"
                        y3="1.38577"
                        yFract="0.26343578"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.91876"
                        xFract="0.43010191"
                        y3="2.2625"
                        yFract="0.43010272"
                        z3="11.72368"
                        zFract="0.41633965"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.95584"
                        xFract="0.92380251"
                        y3="2.32878"
                        yFract="0.44270259"
                        z3="11.95063"
                        zFract="0.42439926"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.4947"
                        xFract="0.44270255"
                        y3="4.85954"
                        yFract="0.92380172"
                        z3="11.95063"
                        zFract="0.42439926"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.41698"
                        xFract="0.92380334"
                        y3="4.85954"
                        yFract="0.92380172"
                        z3="11.95063"
                        zFract="0.42439926"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="6.95584"
                        xFract="0.7634355"
                        y3="4.01596"
                        yFract="0.76343661"
                        z3="10.21419"
                        zFract="0.36273357"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="3.91876"
                        xFract="0.28219029"
                        y3="3.81864"
                        yFract="0.72592595"
                        z3="9.88944"
                        zFract="0.35120081"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.26642"
                        xFract="0.72592567"
                        y3="1.48443"
                        yFract="0.28219111"
                        z3="9.88944"
                        zFract="0.35120081"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.5711"
                        xFract="0.28218976"
                        y3="1.48443"
                        yFract="0.28219111"
                        z3="9.88944"
                        zFract="0.35120081"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.88169"
                        xFract="0.09676996"
                        y3="0.50904"
                        yFract="0.09676884"
                        z3="7.58526"
                        zFract="0.26937314"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.40086"
                        xFract="0.0969087"
                        y3="3.13886"
                        yFract="0.59669933"
                        z3="7.63808"
                        zFract="0.27124892"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.43666"
                        xFract="0.59669851"
                        y3="3.13886"
                        yFract="0.59669933"
                        z3="7.63808"
                        zFract="0.27124892"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="3.91876"
                        xFract="0.59669852"
                        y3="0.50978"
                        yFract="0.09690951"
                        z3="7.63808"
                        zFract="0.27124892"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.4373"
                        xFract="0.76343565"
                        y3="1.38577"
                        yFract="0.26343578"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.91876"
                        xFract="0.43010191"
                        y3="2.2625"
                        yFract="0.43010272"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.91876"
                        xFract="0.26343496"
                        y3="4.01596"
                        yFract="0.76343661"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="6.95584"
                        xFract="0.7634355"
                        y3="4.01596"
                        yFract="0.76343661"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="6.95584"
                        xFract="0.93010244"
                        y3="2.2625"
                        yFract="0.43010272"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.4373"
                        xFract="0.43010271"
                        y3="4.89268"
                        yFract="0.93010166"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.47438"
                        xFract="0.93010324"
                        y3="4.89268"
                        yFract="0.93010166"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.88169"
                        xFract="0.09676996"
                        y3="0.50904"
                        yFract="0.09676884"
                        z3="5.71964"
                        zFract="0.20311992"/>
                  <atom elementType="O"
                        id="a22"
                        x3="0.88169"
                        xFract="0.09676996"
                        y3="0.50904"
                        yFract="0.09676884"
                        z3="9.4228"
                        zFract="0.33462916"/>
                  <atom elementType="O"
                        id="a23"
                        x3="0.88169"
                        xFract="0.09676996"
                        y3="0.50904"
                        yFract="0.09676884"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a24"
                        x3="3.91876"
                        xFract="0.43010191"
                        y3="2.2625"
                        yFract="0.43010272"
                        z3="6.98342"
                        zFract="0.24800017"/>
                  <atom elementType="O"
                        id="a25"
                        x3="6.95584"
                        xFract="0.7634355"
                        y3="4.01596"
                        yFract="0.76343661"
                        z3="8.27736"
                        zFract="0.29395148"/>
                  <atom elementType="O"
                        id="a26"
                        x3="0.88169"
                        xFract="0.09676996"
                        y3="0.50904"
                        yFract="0.09676884"
                        z3="12.53014"
                        zFract="0.44497923"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a13 a24" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
               </bondArray>
               <formula concise="Cu20O6">
                  <atomArray count="20 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1366.9164</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.6O">
                  <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/rA:26CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1OO1O4OO0/rB:;;;;s3s4s5;s2;s2;s2;;;;;;;;;;;;s10;s9s10;s1;s11s12s13s15;s6s12;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
