<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        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">2019-01-29T01:09:02.000+01:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">9.366041853090973</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</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>
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                        id="a1"
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                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a2"
                        x3="2.34151051"
                        xFract="0.16666667"
                        y3="1.35187172"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a3"
                        x3="4.68302088"
                        xFract="0.33333333"
                        y3="2.70374337"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a4"
                        x3="4.68302093"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a5"
                        x3="7.02453144"
                        xFract="0.66666667"
                        y3="1.35187172"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a6"
                        x3="9.36604181"
                        xFract="0.83333333"
                        y3="2.70374337"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a7"
                        x3="2.34151046"
                        xFract="0.0000"
                        y3="4.05561509"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a8"
                        x3="4.68302097"
                        xFract="0.16666667"
                        y3="5.40748681"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a9"
                        x3="7.02453134"
                        xFract="0.33333333"
                        y3="6.75935845"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a10"
                        x3="7.02453139"
                        xFract="0.5000"
                        y3="4.05561509"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a11"
                        x3="9.3660419"
                        xFract="0.66666667"
                        y3="5.40748681"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a12"
                        x3="11.70755227"
                        xFract="0.83333333"
                        y3="6.75935845"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a13"
                        x3="1.56100701"
                        xFract="0.16666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a14"
                        x3="1.56100696"
                        xFract="0.0000"
                        y3="2.70374337"
                        yFract="0.33333333"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a15"
                        x3="3.90251742"
                        xFract="0.33333333"
                        y3="1.35187172"
                        yFract="0.16666667"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a16"
                        x3="6.24402793"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a17"
                        x3="6.24402789"
                        xFract="0.5000"
                        y3="2.70374337"
                        yFract="0.33333333"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a18"
                        x3="8.58553835"
                        xFract="0.83333333"
                        y3="1.35187172"
                        yFract="0.16666667"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a19"
                        x3="3.90251747"
                        xFract="0.16666667"
                        y3="4.05561509"
                        yFract="0.5000"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a20"
                        x3="3.90251742"
                        xFract="0.0000"
                        y3="6.75935845"
                        yFract="0.83333333"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a21"
                        x3="6.24402789"
                        xFract="0.33333333"
                        y3="5.40748681"
                        yFract="0.66666667"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a22"
                        x3="8.5855384"
                        xFract="0.66666667"
                        y3="4.05561509"
                        yFract="0.5000"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a23"
                        x3="8.58553835"
                        xFract="0.5000"
                        y3="6.75935845"
                        yFract="0.83333333"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a24"
                        x3="10.92704881"
                        xFract="0.83333333"
                        y3="5.40748681"
                        yFract="0.66666667"
                        z3="2.2075972"
                        zFract="0.11037986"/>
                  <atom elementType="Rh"
                        id="a25"
                        x3="10.14659668"
                        xFract="0.99962422"
                        y3="1.3580567"
                        yFract="0.16742919"
                        z3="4.3579486"
                        zFract="0.21789743"/>
                  <atom elementType="Rh"
                        id="a26"
                        x3="3.12455095"
                        xFract="0.33343322"
                        y3="0.0027738"
                        yFract="0.00034197"
                        z3="4.3453336"
                        zFract="0.21726668"/>
                  <atom elementType="Rh"
                        id="a27"
                        x3="3.13749753"
                        xFract="0.16799171"
                        y3="2.70906628"
                        yFract="0.33398957"
                        z3="4.366216"
                        zFract="0.2183108"/>
                  <atom elementType="Rh"
                        id="a28"
                        x3="5.46099312"
                        xFract="0.49820349"
                        y3="1.37663117"
                        yFract="0.16971916"
                        z3="4.3786292"
                        zFract="0.21893146"/>
                  <atom elementType="Rh"
                        id="a29"
                        x3="7.80667807"
                        xFract="0.8328545"
                        y3="0.01061395"
                        yFract="0.00130855"
                        z3="4.348688"
                        zFract="0.2174344"/>
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                        id="a30"
                        x3="7.79851093"
                        xFract="0.66488137"
                        y3="2.72140549"
                        yFract="0.33551082"
                        z3="4.3773606"
                        zFract="0.21886803"/>
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                        id="a31"
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                        xFract="0.00074773"
                        y3="5.40827344"
                        yFract="0.66676365"
                        z3="4.3537698"
                        zFract="0.21768849"/>
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                        id="a32"
                        x3="5.47067217"
                        xFract="0.33342484"
                        y3="4.0665109"
                        yFract="0.5013433"
                        z3="4.3603272"
                        zFract="0.21801636"/>
                  <atom elementType="Rh"
                        id="a33"
                        x3="5.46825948"
                        xFract="0.16716425"
                        y3="6.75948783"
                        yFract="0.83334928"
                        z3="4.353305"
                        zFract="0.21766525"/>
                  <atom elementType="Rh"
                        id="a34"
                        x3="7.80553396"
                        xFract="0.49999327"
                        y3="5.4084604"
                        yFract="0.6667867"
                        z3="4.3610218"
                        zFract="0.21805109"/>
                  <atom elementType="Rh"
                        id="a35"
                        x3="10.15439312"
                        xFract="0.83389117"
                        y3="4.06015835"
                        yFract="0.50056012"
                        z3="4.3460142"
                        zFract="0.21730071"/>
                  <atom elementType="Rh"
                        id="a36"
                        x3="10.15029318"
                        xFract="0.66689169"
                        y3="6.76219949"
                        yFract="0.83368359"
                        z3="4.3587888"
                        zFract="0.21793944"/>
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                        xFract="0.00013738"
                        y3="0.00588713"
                        yFract="0.0007258"
                        z3="6.5242552"
                        zFract="0.32621276"/>
                  <atom elementType="Fe"
                        id="a38"
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                        xFract="0.16725563"
                        y3="1.3414436"
                        yFract="0.16538103"
                        z3="6.5149398"
                        zFract="0.32574699"/>
                  <atom elementType="Fe"
                        id="a39"
                        x3="4.64376911"
                        xFract="0.33066287"
                        y3="2.67907874"
                        yFract="0.33029253"
                        z3="6.5766334"
                        zFract="0.32883167"/>
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                        xFract="0.50164299"
                        y3="0.00043606"
                        yFract="0.00005376"
                        z3="6.51814"
                        zFract="0.325907"/>
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                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a49 a52" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
               </bondArray>
               <formula concise="C2H2Fe12ORh36">
                  <atomArray count="2 2 12 1 36" elementType="C H Fe O Rh"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4414.758799999997</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C2H2O.12Fe.36Rh/c1-2-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:49,50,53;37;38;40;41;42;43;44;45;46;47;48;39;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/CRV:1.3,2.2,3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:53RhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhFeFeFeFeFeFeFeFeFeFeFeFeCCHHO/rB:s1;s2;s2s3;s3s4;s5;s2s3;s3s7;s8;s3s5s6s8s9;s6s9s10;s11;s1s2;s2s7s13;s2s3s4s13s14;s4s5s15;s3s5s10s15s16;s5s6s16s17;s3s7s8s14s15s17;s8s19;s8s9s10s17s19s20;s6s10s11s17s18s21;s9s11s21s22;s11s12s22s23;s18;s13s15;s14s15s19s26;s15s16s17s26s27;s16s18s25s28;s17s18s22s25s28s29;s19s20s27;s17s19s21s27s28s30s31;s20s21s31s32;s21s22s23s30s32s33;s22s24s25s30s34;s23s24s34s35;;s26s27;s27s28s32s38;s26s28s39;s28s29s30;s25s30s35;s35;s32;s33s34;s30s34s42;s34s35s36s43s46;s36s47;s46;s44s46s49;s49;s49;s39s50;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</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-02</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.0170</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">436.0000</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="5">PAW_PBE Rh 04Feb2005|PAW_PBE Fe 06Sep2000|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Rh Fe C H O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">102.91 55.85 12.01 1.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">9.00 8.00 4.00 1.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">36 12 2 2 1</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">9.366041853 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">4.683020926 8.111230178 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 20.000000000</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="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1440">-19.9031 -12.5825 -7.8061 -5.9715 -5.5373 -5.4425 -4.8765 -4.3911 -3.9516 -3.9433 -3.9345 -3.7973 -3.7733 -3.7656 -3.7563 -3.6224 -3.5848 -3.5742 -3.5608 -3.5284 -3.5104 -3.4853 -3.4684 -3.4415 -3.3818 -3.3112 -3.1460 -3.1420 -3.1390 -3.0592 -3.0412 -3.0251 -3.0096 -2.9556 -2.8571 -2.7777 -2.7673 -2.7086 -2.6966 -2.6766 -2.6654 -2.6292 -2.6246 -2.6156 -2.6045 -2.6017 -2.5927 -2.5826 -2.5576 -2.5239 -2.4877 -2.4739 -2.4581 -2.4467 -2.4352 -2.4160 -2.3427 -2.3398 -2.3353 -2.3324 -2.3195 -2.3051 -2.2540 -2.2121 -2.1990 -2.1777 -2.1585 -2.1437 -2.1154 -2.0552 -2.0542 -2.0475 -2.0460 -2.0397 -2.0156 -1.9860 -1.9554 -1.8190 -1.8084 -1.6937 -1.6420 -1.6370 -1.6088 -1.6022 -1.5447 -1.4834 -1.4699 -1.4357 -1.4248 -1.3872 -1.3603 -1.3573 -1.3254 -1.3164 -1.2663 -1.2367 -1.2357 -1.1925 -1.1831 -1.1690 -1.1652 -1.1541 -1.1395 -1.1344 -1.1262 -1.1166 -1.1066 -1.1000 -1.0907 -1.0872 -1.0825 -1.0781 -1.0709 -1.0608 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                        yFract="0.50687626"
                        z3="6.49524"
                        zFract="0.324762"/>
                  <atom elementType="Fe"
                        id="a47"
                        x3="9.31581"
                        xFract="0.66227416"
                        y3="5.39174"
                        yFract="0.66472531"
                        z3="6.50237"
                        zFract="0.3251185"/>
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                        id="a48"
                        x3="11.67237"
                        xFract="0.82906154"
                        y3="6.76772"
                        yFract="0.83436419"
                        z3="6.48507"
                        zFract="0.3242535"/>
                  <atom elementType="C"
                        id="a49"
                        x3="6.96871"
                        xFract="0.45629452"
                        y3="4.66794"
                        yFract="0.575491"
                        z3="8.51758"
                        zFract="0.425879"/>
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                        id="a50"
                        x3="5.68306"
                        xFract="0.32430831"
                        y3="4.58227"
                        yFract="0.5649291"
                        z3="7.91078"
                        zFract="0.395539"/>
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                        id="a51"
                        x3="7.26694"
                        xFract="0.535796"
                        y3="3.89478"
                        yFract="0.48017131"
                        z3="9.23446"
                        zFract="0.461723"/>
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                        id="a52"
                        x3="7.36416"
                        xFract="0.43691519"
                        y3="5.66726"
                        yFract="0.69869303"
                        z3="8.73941"
                        zFract="0.4369705"/>
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                        id="a53"
                        x3="4.76996"
                        xFract="0.28558757"
                        y3="3.62888"
                        yFract="0.4473896"
                        z3="8.16377"
                        zFract="0.4081885"/>
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               <bondArray>
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                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
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                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
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                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
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                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
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                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
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                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a52" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
               </bondArray>
               <formula concise="C2H2Fe12ORh36">
                  <atomArray count="2 2 12 1 36" elementType="C H Fe O Rh"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4414.758799999997</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C2H2O.12Fe.36Rh/c1-2-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:49,50,53;37;38;40;41;42;43;44;45;46;47;48;39;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/CRV:1.3,2.2,3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:53RhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhRhFeFeFeFeFeFeFeFeFeFeFeFeCCHHO/rB:s1;s2;s2s3;s3s4;s5;s2s3;s3s7;s8;s3s5s6s8s9;s6s9s10;s11;s1s2;s2s7s13;s2s3s4s13s14;s4s5s15;s3s5s10s15s16;s5s6s16s17;s3s7s8s14s15s17;s8s19;s8s9s10s17s19s20;s6s10s11s17s18s21;s9s11s21s22;s11s12s22s23;s18;s13s15;s14s15s19s26;s15s16s17s26s27;s16s18s25s28;s17s18s22s25s28s29;s19s20s27;s17s19s21s27s28s30s31;s20s21s31s32;s21s22s23s30s32s33;s22s24s25s30s34;s23s24s34s35;;s26s27s37;s27s28s32;s26s28s39;s28s29s30s39;s25s30s35s41;s35s42;s31s32s33;s33s34s44;s30s32s34s42;s34s35s36s43s46;s36s43;s46;s44s46s49;s49;s49;s39s50;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
