<?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">2022-08-03T18:36:33.000</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="0.74428237"
                        xFract="0.12253269"
                        y3="2.10514844"
                        yFract="0.49013076"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.78135912"
                        xFract="0.62253269"
                        y3="2.10514844"
                        yFract="0.49013076"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.26282075"
                        xFract="0.37253269"
                        y3="4.25268601"
                        yFract="0.99013076"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.2998975"
                        xFract="0.87253269"
                        y3="4.25268601"
                        yFract="0.99013076"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="0.74428237"
                        xFract="0.12253269"
                        y3="2.10514844"
                        yFract="0.49013076"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="0.74428237"
                        xFract="0.12253269"
                        y3="2.10514844"
                        yFract="0.49013076"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.26282075"
                        xFract="0.37253269"
                        y3="4.25268601"
                        yFract="0.99013076"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.2998975"
                        xFract="0.87253269"
                        y3="4.25268601"
                        yFract="0.99013076"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="3.78135912"
                        xFract="0.62253269"
                        y3="2.10514844"
                        yFract="0.49013076"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.26282075"
                        xFract="0.37253269"
                        y3="4.25268601"
                        yFract="0.99013076"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="5.2998975"
                        xFract="0.87253269"
                        y3="4.25268601"
                        yFract="0.99013076"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.78135912"
                        xFract="0.62253269"
                        y3="2.10514844"
                        yFract="0.49013076"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="O"
                        id="a13"
                        x3="3.78135912"
                        xFract="0.62253269"
                        y3="3.17891722"
                        yFract="0.74013076"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.74428237"
                        xFract="0.12253269"
                        y3="1.03137966"
                        yFract="0.24013076"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a15"
                        x3="3.78135912"
                        xFract="0.62253269"
                        y3="3.17891722"
                        yFract="0.74013076"
                        z3="1.99999993"
                        zFract="0.08132497"/>
               </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="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a11 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:15CuCuCuCuCuCuCuCuCuCuCuCuO4O1O3/rB:;;;;;;;;;;;s2s3s4s12;s1;s9s10s11;/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">-21.4290 -21.0806 -20.6736 -9.9759 -8.7329 -8.7097 -8.2608 -8.1709 -7.8016 -7.7024 -7.5418 -6.7942 -6.6804 -6.6245 -6.5694 -6.4715 -6.4639 -6.3823 -6.3619 -6.3054 -6.1220 -6.0741 -5.9461 -5.8244 -5.7524 -5.6624 -5.6567 -5.5966 -5.5659 -5.4580 -5.3905 -5.3538 -5.3086 -5.2824 -5.2776 -5.1888 -5.1605 -5.1150 -5.0597 -5.0582 -5.0500 -4.9848 -4.9618 -4.8904 -4.7848 -4.7244 -4.7071 -4.6769 -4.6736 -4.6370 -4.6283 -4.6098 -4.5956 -4.5770 -4.5186 -4.5154 -4.4049 -4.3993 -4.3988 -4.3748 -4.3656 -4.3279 -4.2828 -4.2313 -4.1948 -4.1604 -4.1280 -4.0980 -4.0141 -3.8811 -3.6744 -3.6468 -3.4401 -3.0161 -2.9935 -2.4365 -1.8772 -1.1225 -0.6928 -0.5643 -0.2178 0.3574 1.4629 1.8192 2.1166 2.1333 2.2882 2.4284 2.8744 3.3255 3.5586 3.6387 3.8635 3.9343 4.1156 4.2350 -21.4268 -21.0468 -20.7111 -9.8800 -8.9375 -8.5920 -8.2076 -8.1408 -7.7842 -7.7109 -7.4562 -6.9572 -6.8669 -6.7383 -6.6529 -6.4402 -6.3884 -6.3309 -6.3218 -6.2880 -6.1392 -6.0434 -5.8928 -5.8129 -5.7611 -5.6978 -5.6762 -5.6453 -5.5981 -5.4830 -5.4628 -5.4062 -5.3490 -5.3237 -5.2372 -5.1756 -5.1678 -5.1356 -5.1173 -5.0426 -5.0088 -4.9666 -4.9393 -4.8929 -4.8197 -4.7528 -4.7304 -4.6810 -4.6649 -4.6325 -4.6251 -4.5955 -4.5647 -4.5565 -4.5149 -4.4955 -4.4575 -4.4130 -4.3925 -4.3894 -4.3551 -4.3372 -4.3238 -4.2726 -4.2164 -4.1357 -4.0618 -4.0058 -3.8846 -3.8159 -3.7536 -3.6028 -3.3894 -3.0985 -3.0488 -1.9022 -1.8370 -1.3889 -0.6965 -0.1417 0.1941 0.5045 1.4381 1.5897 1.8596 2.2675 2.3782 2.6089 2.8508 3.0557 3.2206 3.4891 3.6171 3.8307 4.0182 4.3478 -21.4234 -20.9648 -20.7991 -9.7127 -9.0851 -8.4449 -8.2367 -8.0516 -7.7748 -7.7143 -7.5258 -7.2708 -6.9670 -6.8480 -6.6596 -6.4169 -6.3453 -6.3097 -6.2716 -6.2247 -6.2006 -5.9807 -5.8657 -5.8324 -5.8067 -5.7157 -5.7114 -5.6494 -5.6174 -5.6043 -5.5354 -5.4042 -5.3325 -5.3172 -5.2957 -5.2234 -5.1903 -5.1482 -5.0837 -5.0475 -5.0411 -4.9881 -4.8652 -4.8438 -4.8022 -4.7963 -4.7310 -4.7084 -4.6832 -4.6475 -4.6220 -4.5941 -4.5669 -4.5338 -4.5073 -4.4678 -4.4552 -4.4376 -4.4174 -4.3965 -4.3658 -4.3593 -4.3184 -4.2890 -4.2445 -4.1813 -4.0421 -3.8662 -3.7812 -3.6351 -3.6164 -3.4906 -3.3803 -3.3153 -3.1726 -2.2380 -1.4233 -0.5602 -0.2191 0.0800 0.4781 1.0440 1.1821 1.6802 1.7417 1.9437 2.2295 2.5343 2.7519 2.9884 3.0597 3.1264 3.3721 3.4710 3.8595 3.9857 -21.4245 -21.0717 -20.6780 -9.8665 -8.7149 -8.6941 -8.2593 -8.1795 -7.8074 -7.7308 -7.4704 -6.7752 -6.7285 -6.6767 -6.5401 -6.5168 -6.4566 -6.3836 -6.3672 -6.1934 -6.1749 -6.0423 -5.9347 -5.8347 -5.7385 -5.6870 -5.6521 -5.6081 -5.5845 -5.4977 -5.4251 -5.3760 -5.3422 -5.2945 -5.2355 -5.2014 -5.1332 -5.1264 -5.0705 -5.0075 -4.9922 -4.9476 -4.9330 -4.8796 -4.7848 -4.7563 -4.7340 -4.7085 -4.6735 -4.6734 -4.5989 -4.5898 -4.5605 -4.5448 -4.5140 -4.4954 -4.4395 -4.4378 -4.3896 -4.3720 -4.3668 -4.3309 -4.2682 -4.2208 -4.2077 -4.1671 -4.1492 -4.0927 -4.0484 -3.8964 -3.6917 -3.5973 -3.3734 -3.1479 -3.0157 -2.4266 -1.9674 -1.5780 -0.6885 -0.5393 -0.0946 0.6017 1.2046 1.4952 1.7719 2.1938 2.4597 2.6195 2.8570 2.9003 3.3798 3.5682 3.6752 3.7790 4.2233 4.3517 -21.4225 -21.0393 -20.7139 -9.7758 -8.9186 -8.5796 -8.2128 -8.1406 -7.8031 -7.7181 -7.4102 -6.9332 -6.8919 -6.7257 -6.6548 -6.4410 -6.4288 -6.3462 -6.2901 -6.2344 -6.1451 -6.0353 -5.8889 -5.8324 -5.7507 -5.7110 -5.6655 -5.6492 -5.5960 -5.5008 -5.4748 -5.4110 -5.3600 -5.3094 -5.2598 -5.1878 -5.1636 -5.1367 -5.0829 -5.0461 -5.0069 -4.9481 -4.9321 -4.8734 -4.8236 -4.7625 -4.7414 -4.6979 -4.6713 -4.6318 -4.5998 -4.5762 -4.5697 -4.5269 -4.5207 -4.4933 -4.4657 -4.4345 -4.4025 -4.3840 -4.3639 -4.3470 -4.3185 -4.2776 -4.2223 -4.1534 -4.0677 -3.9966 -3.8929 -3.8244 -3.7402 -3.6272 -3.3623 -3.1532 -3.0952 -1.9890 -1.7710 -1.5496 -1.0583 -0.0928 0.1218 0.4728 1.0037 1.5263 2.0122 2.0532 2.3974 2.6787 2.8886 3.1229 3.5113 3.5954 3.8018 3.9918 4.0731 4.2722 -21.4190 -20.9606 -20.7980 -9.6320 -9.0347 -8.4246 -8.2766 -8.0720 -7.8062 -7.6958 -7.4929 -7.2394 -6.9351 -6.8272 -6.6554 -6.4122 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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">-59.78141157</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-59.77797215</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-59.77969186</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.0134</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2470023E-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="0.74428"
                        xFract="0.1225323"
                        y3="2.10515"
                        yFract="0.49013112"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.78136"
                        xFract="0.62253283"
                        y3="0.58309"
                        yFract="0.13575781"
                        z3="6.99559"
                        zFract="0.28445808"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.95351"
                        xFract="0.32161025"
                        y3="-1.44318"
                        yFract="-0.33600809"
                        z3="7.74661"
                        zFract="0.31499642"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.60921"
                        xFract="0.92345542"
                        y3="-1.44318"
                        yFract="-0.33600809"
                        z3="7.74661"
                        zFract="0.31499642"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="0.74428"
                        xFract="0.1225323"
                        y3="0.7862"
                        yFract="0.18304686"
                        z3="6.92266"
                        zFract="0.28149257"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="0.74428"
                        xFract="0.1225323"
                        y3="2.96335"
                        yFract="0.68994136"
                        z3="5.65818"
                        zFract="0.23007567"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.33295"
                        xFract="0.38407821"
                        y3="0.58355"
                        yFract="0.13586491"
                        z3="4.89349"
                        zFract="0.19898147"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.22977"
                        xFract="0.86098746"
                        y3="0.58355"
                        yFract="0.13586491"
                        z3="4.89349"
                        zFract="0.19898147"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="3.78136"
                        xFract="0.62253283"
                        y3="2.10515"
                        yFract="0.49013112"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.26282"
                        xFract="0.37253257"
                        y3="4.25269"
                        yFract="0.99013169"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="5.2999"
                        xFract="0.8725331"
                        y3="4.25269"
                        yFract="0.99013169"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.78136"
                        xFract="0.62253283"
                        y3="2.66951"
                        yFract="0.62152813"
                        z3="5.80081"
                        zFract="0.23587536"/>
                  <atom elementType="O"
                        id="a13"
                        x3="3.78136"
                        xFract="0.62253283"
                        y3="3.22327"
                        yFract="0.75045719"
                        z3="8.00278"
                        zFract="0.32541293"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.74428"
                        xFract="0.1225323"
                        y3="1.03138"
                        yFract="0.24013084"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a15"
                        x3="3.78136"
                        xFract="0.62253283"
                        y3="3.17892"
                        yFract="0.74013141"
                        z3="2.0000"
                        zFract="0.08132497"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a7" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a11 a15" 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:15CuCuCuCuCuCuCuCuCuCuCuCuO0O1O3/rB:;;;s3;s1s5;s1s2s5;s2;s7s8;;;s2s9;;s1;s9s10s11;/rC:;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
