<?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">2022-08-03T18:36:34.000</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">4.295075135</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.592691884</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">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="0.68433509"
                        xFract="0.11266345"
                        y3="2.06275936"
                        yFract="0.48026153"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.72141184"
                        xFract="0.61266345"
                        y3="2.06275936"
                        yFract="0.48026153"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.20287347"
                        xFract="0.36266345"
                        y3="4.21029692"
                        yFract="0.98026153"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.23995022"
                        xFract="0.86266345"
                        y3="4.21029692"
                        yFract="0.98026153"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="0.68433509"
                        xFract="0.11266345"
                        y3="2.06275936"
                        yFract="0.48026153"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="0.68433509"
                        xFract="0.11266345"
                        y3="2.06275936"
                        yFract="0.48026153"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.20287347"
                        xFract="0.36266345"
                        y3="4.21029692"
                        yFract="0.98026153"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.23995022"
                        xFract="0.86266345"
                        y3="4.21029692"
                        yFract="0.98026153"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="3.72141184"
                        xFract="0.61266345"
                        y3="2.06275936"
                        yFract="0.48026153"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.20287347"
                        xFract="0.36266345"
                        y3="4.21029692"
                        yFract="0.98026153"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="5.23995022"
                        xFract="0.86266345"
                        y3="4.21029692"
                        yFract="0.98026153"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.72141184"
                        xFract="0.61266345"
                        y3="2.06275936"
                        yFract="0.48026153"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="O"
                        id="a13"
                        x3="3.72141184"
                        xFract="0.61266345"
                        y3="3.13652814"
                        yFract="0.73026153"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.68433509"
                        xFract="0.11266345"
                        y3="0.98899057"
                        yFract="0.23026153"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.68433509"
                        xFract="0.11266345"
                        y3="0.98899057"
                        yFract="0.23026153"
                        z3="8.07415357"
                        zFract="0.32831516"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
               </bondArray>
               <formula concise="Cu12O3">
                  <atomArray count="12 3" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">810.5502000000002</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/12Cu.3O">
                  <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/rA:15CuCuCuCuCuCuCuCuCuCuCuCuO4O1O/rB:;;;;;;;;;;;s2s3s4s12;s1;s5s6;/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">150.0000</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">12 3</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">5 8 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="1440">-21.6169 -21.2703 -20.2270 -9.1108 -9.0188 -8.6658 -7.9056 -7.8771 -7.4864 -7.2528 -7.1865 -6.9825 -6.7963 -6.1606 -5.7839 -5.5980 -5.5744 -5.4879 -5.3809 -5.3678 -5.2811 -5.1610 -5.1270 -5.0604 -5.0598 -4.9214 -4.8378 -4.8169 -4.7730 -4.6404 -4.6276 -4.6077 -4.5462 -4.4978 -4.4852 -4.4706 -4.4546 -4.3428 -4.3226 -4.2734 -4.2541 -4.2038 -4.1985 -4.1468 -4.1442 -4.0682 -4.0411 -3.9988 -3.9614 -3.9488 -3.9165 -3.9067 -3.8379 -3.8322 -3.7447 -3.6753 -3.6643 -3.6208 -3.6146 -3.5817 -3.5483 -3.5290 -3.5006 -3.4475 -3.4077 -3.3980 -3.3631 -3.3260 -3.2143 -2.9929 -2.9442 -2.8410 -2.7514 -2.6798 -2.5548 -2.4950 -1.7945 -1.6628 -0.8196 -0.0033 0.3991 0.7365 1.0545 1.1478 1.6362 2.0770 2.2217 2.4685 2.5376 3.0610 3.3691 4.1633 4.5070 4.7784 4.8633 5.1331 -21.5851 -21.3049 -20.2265 -9.0017 -8.9411 -8.5741 -8.0227 -7.8758 -7.4941 -7.3629 -7.2960 -7.1038 -6.6270 -6.2542 -5.9821 -5.6889 -5.5187 -5.4342 -5.3849 -5.3333 -5.2070 -5.1529 -5.1333 -5.0310 -5.0084 -4.8941 -4.8491 -4.7936 -4.7470 -4.6524 -4.6360 -4.6031 -4.5444 -4.5126 -4.4898 -4.4691 -4.4484 -4.3243 -4.3210 -4.3044 -4.2542 -4.2101 -4.1839 -4.1754 -4.1296 -4.1101 -4.1042 -4.0545 -3.9811 -3.9161 -3.8908 -3.8834 -3.8437 -3.8309 -3.7926 -3.7233 -3.6909 -3.6599 -3.6392 -3.5932 -3.5777 -3.5406 -3.4990 -3.4817 -3.4634 -3.4089 -3.3737 -3.3148 -3.1951 -3.1280 -3.0171 -2.7012 -2.6883 -2.5966 -2.4868 -2.4010 -1.8865 -0.8045 -0.5566 -0.4338 0.1355 0.7755 1.1210 1.6095 1.7697 2.0991 2.2425 2.5281 2.9779 3.1866 3.4142 3.6794 3.9681 4.1446 4.3756 4.6542 -21.5008 -21.3935 -20.2256 -8.7677 -8.7333 -8.3872 -8.2585 -7.8921 -7.8084 -7.5516 -7.3330 -7.0184 -6.6464 -6.3826 -6.1307 -5.7660 -5.4669 -5.4121 -5.3962 -5.3320 -5.1914 -5.1503 -5.0418 -4.9964 -4.9524 -4.8489 -4.8197 -4.7319 -4.7144 -4.6764 -4.6471 -4.6105 -4.5605 -4.5405 -4.4994 -4.4724 -4.4571 -4.3819 -4.2886 -4.2612 -4.2526 -4.2298 -4.2087 -4.1958 -4.1423 -4.1195 -4.0672 -4.0448 -4.0262 -3.9831 -3.9263 -3.8751 -3.8602 -3.8073 -3.7902 -3.7683 -3.7360 -3.7163 -3.6942 -3.6528 -3.6134 -3.6048 -3.5512 -3.5438 -3.5068 -3.4888 -3.4369 -3.3180 -3.1186 -3.0906 -3.0197 -2.7230 -2.6321 -2.4467 -2.2614 -2.1040 -1.6864 -1.0761 -0.4349 -0.0788 0.5697 1.0108 1.5795 1.6688 2.0966 2.2467 2.4161 2.5820 2.8890 3.1199 3.2320 3.3297 3.5835 3.7922 3.8209 4.0129 -21.6039 -21.2749 -20.2242 -9.0604 -9.0594 -8.6120 -8.0464 -7.8315 -7.4202 -7.2401 -7.1662 -7.0839 -6.6853 -6.1558 -5.7617 -5.5746 -5.5680 -5.4920 -5.3967 -5.3503 -5.2950 -5.1576 -5.1010 -5.0664 -5.0577 -4.9197 -4.8611 -4.8131 -4.7297 -4.6788 -4.6236 -4.5896 -4.5627 -4.5200 -4.5058 -4.4486 -4.4409 -4.3414 -4.3330 -4.2714 -4.2529 -4.2295 -4.2068 -4.1743 -4.1031 -4.0817 -4.0397 -4.0159 -3.9862 -3.9737 -3.8813 -3.8599 -3.8410 -3.8002 -3.7679 -3.7055 -3.6815 -3.6472 -3.6379 -3.5920 -3.5573 -3.5555 -3.4894 -3.4408 -3.4146 -3.3861 -3.3639 -3.3208 -3.2469 -3.0582 -2.9659 -2.9109 -2.7682 -2.7110 -2.4370 -2.3332 -1.7191 -1.3008 -0.8417 -0.2279 0.1284 0.7113 1.0271 1.1169 1.7140 2.0920 2.3150 2.4822 2.9489 3.1359 3.2114 3.5104 3.9238 4.0383 4.3650 4.5324 -21.5736 -21.3076 -20.2238 -9.0838 -8.8825 -8.5355 -8.1221 -7.8282 -7.4579 -7.3142 -7.3019 -7.0877 -6.5698 -6.2383 -5.9569 -5.6556 -5.5079 -5.4436 -5.3986 -5.3283 -5.2146 -5.1589 -5.0962 -5.0417 -5.0036 -4.9104 -4.8559 -4.7920 -4.7254 -4.6693 -4.6329 -4.6177 -4.5626 -4.5403 -4.4945 -4.4583 -4.4339 -4.3584 -4.3256 -4.2903 -4.2605 -4.2179 -4.1996 -4.1547 -4.1263 -4.1139 -4.1024 -4.0552 -3.9979 -3.9536 -3.9152 -3.8654 -3.8368 -3.7937 -3.7620 -3.7391 -3.7044 -3.6655 -3.6502 -3.6121 -3.5849 -3.5451 -3.4902 -3.4801 -3.4505 -3.4276 -3.3684 -3.3407 -3.2600 -3.1480 -3.0437 -2.7990 -2.6676 -2.5630 -2.4733 -2.3123 -1.5623 -0.8064 -0.4642 -0.4126 -0.0787 0.6406 0.8799 1.5234 1.8615 1.9422 2.2937 2.5152 2.7390 3.1868 3.4340 3.5830 3.9059 4.0634 4.1787 4.3683 -21.4933 -21.3915 -20.2229 -8.9464 -8.7745 -8.3621 -8.1555 -7.8477 -7.7372 -7.5021 -7.3258 -6.9708 -6.5984 -6.3539 -6.1022 -5.7456 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-0.000000 0.020290 0.010842</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">-56.64859349</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-56.64459978</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-56.64659664</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.1682</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4108093E-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">4.295075135</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.592691884</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">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="0.68434"
                        xFract="0.11266426"
                        y3="2.06276"
                        yFract="0.48026168"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.72141"
                        xFract="0.61266315"
                        y3="1.52087"
                        yFract="0.35409625"
                        z3="8.3994"
                        zFract="0.34154049"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.1968"
                        xFract="0.36166356"
                        y3="4.24511"
                        yFract="0.98836688"
                        z3="7.19627"
                        zFract="0.29261823"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.24602"
                        xFract="0.86366273"
                        y3="4.24511"
                        yFract="0.98836688"
                        z3="7.19627"
                        zFract="0.29261823"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="0.68434"
                        xFract="0.11266426"
                        y3="2.58199"
                        yFract="0.6011513"
                        z3="8.35331"
                        zFract="0.33966635"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="0.68434"
                        xFract="0.11266426"
                        y3="2.52059"
                        yFract="0.58685586"
                        z3="5.78275"
                        zFract="0.23514099"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.4220"
                        xFract="0.39873869"
                        y3="4.06615"
                        yFract="0.94670055"
                        z3="4.49801"
                        zFract="0.18290027"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.02082"
                        xFract="0.82658761"
                        y3="4.06615"
                        yFract="0.94670055"
                        z3="4.49801"
                        zFract="0.18290027"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="3.72141"
                        xFract="0.61266315"
                        y3="2.06276"
                        yFract="0.48026168"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.20287"
                        xFract="0.36266288"
                        y3="4.2103"
                        yFract="0.98026225"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="5.23995"
                        xFract="0.86266341"
                        y3="4.2103"
                        yFract="0.98026225"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.72141"
                        xFract="0.61266315"
                        y3="1.87597"
                        yFract="0.43677234"
                        z3="5.85349"
                        zFract="0.23801746"/>
                  <atom elementType="O"
                        id="a13"
                        x3="3.72141"
                        xFract="0.61266315"
                        y3="3.1664"
                        yFract="0.73721644"
                        z3="7.49285"
                        zFract="0.30467791"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.68434"
                        xFract="0.11266426"
                        y3="0.98899"
                        yFract="0.2302614"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.68434"
                        xFract="0.11266426"
                        y3="1.07034"
                        yFract="0.24920169"
                        z3="7.22634"
                        zFract="0.29384095"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
               </bondArray>
               <formula concise="Cu12O3">
                  <atomArray count="12 3" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">810.5502000000002</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/12Cu.3O">
                  <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/rA:15CuCuCuCuCuCuCuCuCuCuCuCuO4O1O/rB:;;;s3;s1s5;s6;s7;s7s8;s7;s8;s2s9;s2s3s4s12;s1;s5s6;/rC:;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
