<?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 Apr 26 2024 11:19:37) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-10-19T20:50:02.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">9.170467615100616</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">19.744077409</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">120.0</scalar>
               </crystal>
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                        y3="0.02782366"
                        yFract="0.00350342"
                        z3="8.33990146"
                        zFract="0.42240016"/>
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                        x3="3.09415548"
                        xFract="0.33891062"
                        y3="0.02392548"
                        yFract="0.00301258"
                        z3="8.34522051"
                        zFract="0.42266956"/>
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                        x3="6.15948144"
                        xFract="0.67490911"
                        y3="0.05152971"
                        yFract="0.00648837"
                        z3="8.24027403"
                        zFract="0.41735422"/>
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                        yFract="0.34039929"
                        z3="8.30431789"
                        zFract="0.42059792"/>
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                        xFract="0.67538425"
                        y3="2.71407578"
                        yFract="0.34174318"
                        z3="8.35533955"
                        zFract="0.42318207"/>
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                        id="a6"
                        x3="-3.01795229"
                        xFract="0.00610638"
                        y3="5.3242387"
                        yFract="0.67040216"
                        z3="8.18142226"
                        zFract="0.41437349"/>
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                        xFract="0.340218"
                        y3="5.35439624"
                        yFract="0.67419945"
                        z3="8.34938513"
                        zFract="0.42288049"/>
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                        id="a8"
                        x3="3.0997646"
                        xFract="0.67524426"
                        y3="5.35643817"
                        yFract="0.67445656"
                        z3="8.34818785"
                        zFract="0.42281985"/>
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                        id="a9"
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                        xFract="0.21570971"
                        y3="0.8339795"
                        yFract="0.10501063"
                        z3="5.67702919"
                        zFract="0.28753074"/>
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                        xFract="0.5521001"
                        y3="0.83355636"
                        yFract="0.10495735"
                        z3="5.7052879"
                        zFract="0.28896199"/>
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                        xFract="0.88215614"
                        y3="0.83955834"
                        yFract="0.10571309"
                        z3="5.68345687"
                        zFract="0.28785629"/>
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                        x3="-0.04155776"
                        xFract="0.21544605"
                        y3="3.49406399"
                        yFract="0.43995549"
                        z3="5.67865176"
                        zFract="0.28761292"/>
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                        x3="3.06130265"
                        xFract="0.55465003"
                        y3="3.50757174"
                        yFract="0.44165632"
                        z3="5.70401421"
                        zFract="0.28889748"/>
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                        id="a14"
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                        xFract="0.88451357"
                        y3="3.49333755"
                        yFract="0.43986402"
                        z3="5.71966751"
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                        z3="5.71016942"
                        zFract="0.28920923"/>
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                        x3="1.50398727"
                        xFract="0.55009631"
                        y3="6.1325911"
                        yFract="0.77218595"
                        z3="5.71753476"
                        zFract="0.28958227"/>
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                        xFract="0.88559348"
                        y3="6.1589213"
                        yFract="0.77550132"
                        z3="5.72425485"
                        zFract="0.28992263"/>
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                        xFract="0.77145412"
                        y3="7.00921266"
                        yFract="0.88256586"
                        z3="3.24778721"
                        zFract="0.16449425"/>
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                        x3="-0.03511248"
                        xFract="0.43725409"
                        y3="7.00603632"
                        yFract="0.88216591"
                        z3="3.24766183"
                        zFract="0.1644879"/>
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                        id="a20"
                        x3="-3.08894588"
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                        y3="7.00567909"
                        yFract="0.88212093"
                        z3="3.25550852"
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                        y3="4.37198087"
                        yFract="0.5504985"
                        z3="3.26595472"
                        zFract="0.1654144"/>
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                        y3="4.36242022"
                        yFract="0.54929467"
                        z3="3.25113422"
                        zFract="0.16466377"/>
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                        z3="3.2640348"
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                        xFract="0.7715181"
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                        yFract="0.21634323"
                        z3="3.24746163"
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                        id="a25"
                        x3="3.02735504"
                        xFract="0.43818996"
                        y3="1.71655206"
                        yFract="0.21613986"
                        z3="3.25205982"
                        zFract="0.16471065"/>
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                        id="a26"
                        x3="-0.02977527"
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                        y3="1.71643587"
                        yFract="0.21612523"
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                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a18 a44" order="S"/>
                  <bond atomRefs2="a18 a36" order="S"/>
                  <bond atomRefs2="a18 a56" order="S"/>
                  <bond atomRefs2="a18 a38" order="S"/>
                  <bond atomRefs2="a18 a55" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a19 a38" order="S"/>
                  <bond atomRefs2="a19 a55" order="S"/>
                  <bond atomRefs2="a19 a37" order="S"/>
                  <bond atomRefs2="a19 a54" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a20 a54" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a42" order="S"/>
                  <bond atomRefs2="a21 a57" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a21 a58" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a55" order="S"/>
                  <bond atomRefs2="a22 a58" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a23 a54" order="S"/>
                  <bond atomRefs2="a24 a62" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a24 a41" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a24 a57" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a25 a58" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a25 a60" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a59" order="S"/>
                  <bond atomRefs2="a26 a60" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a34 a63" order="S"/>
                  <bond atomRefs2="a35 a63" order="S"/>
                  <bond atomRefs2="a45 a63" order="S"/>
                  <bond atomRefs2="a46 a63" order="S"/>
                  <bond atomRefs2="a49 a63" order="S"/>
               </bondArray>
               <formula concise="C18O18RhTi26">
                  <atomArray count="18 18 1 26" elementType="C O Rh Ti"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1851.629299999999</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">415</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</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">449.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</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>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="4">PAW_PBE Ti_pv 07Sep2000|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002|PAW_PBE Rh 04Feb2005</array>
                  <array dictRef="cc:atomType" size="4">Ti C O Rh</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">47.880 12.011 16.000 102.906</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">10.000 4.000 6.000 9.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">26 18 18 1</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="13">1 2 3 4 5 6 7 8 9 10 11 12 13</array>
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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">-581.66150336</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-581.66020389</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-581.66107020</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.4866</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1503351E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">9.170467781248675</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">19.744077</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">120.0</scalar>
               </crystal>
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                        xFract="0.00745408"
                        y3="0.05162519"
                        yFract="0.00650039"
                        z3="8.38966272"
                        zFract="0.42492048"/>
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                        id="a2"
                        x3="3.06983423"
                        xFract="0.33772755"
                        y3="0.0472598"
                        yFract="0.00595072"
                        z3="8.38457693"
                        zFract="0.4246629"/>
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                        id="a3"
                        x3="6.14380787"
                        xFract="0.67347691"
                        y3="0.05592892"
                        yFract="0.0070423"
                        z3="8.35709192"
                        zFract="0.42327083"/>
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                        x3="-1.49203529"
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                        y3="2.71079703"
                        yFract="0.34133033"
                        z3="8.37754384"
                        zFract="0.42430668"/>
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                        id="a5"
                        x3="4.62230407"
                        xFract="0.67429789"
                        y3="2.70429088"
                        yFract="0.34051111"
                        z3="8.37997167"
                        zFract="0.42442965"/>
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                        id="a6"
                        x3="-3.02538693"
                        xFract="0.00703184"
                        y3="5.35181548"
                        yFract="0.67387449"
                        z3="8.35122038"
                        zFract="0.42297345"/>
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                        id="a7"
                        x3="0.02843908"
                        xFract="0.33986973"
                        y3="5.3491363"
                        yFract="0.67353714"
                        z3="8.38799296"
                        zFract="0.42483591"/>
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                        id="a8"
                        x3="3.09314098"
                        xFract="0.67212763"
                        y3="5.31840726"
                        yFract="0.66966789"
                        z3="8.38768972"
                        zFract="0.42482055"/>
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                        id="a9"
                        x3="1.50593775"
                        xFract="0.21823585"
                        y3="0.85803572"
                        yFract="0.10803967"
                        z3="5.74527322"
                        zFract="0.29098718"/>
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                        id="a10"
                        x3="4.53519419"
                        xFract="0.54975587"
                        y3="0.87697954"
                        yFract="0.11042498"
                        z3="5.77013949"
                        zFract="0.29224661"/>
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                        id="a11"
                        x3="7.63928322"
                        xFract="0.88723827"
                        y3="0.86101447"
                        yFract="0.10841474"
                        z3="5.7768675"
                        zFract="0.29258737"/>
                  <atom elementType="Ti"
                        id="a12"
                        x3="-0.0255765"
                        xFract="0.21820323"
                        y3="3.51017798"
                        yFract="0.44198448"
                        z3="5.74875343"
                        zFract="0.29116344"/>
                  <atom elementType="Ti"
                        id="a13"
                        x3="3.03241182"
                        xFract="0.55187651"
                        y3="3.5135586"
                        yFract="0.44241015"
                        z3="5.75408255"
                        zFract="0.29143335"/>
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                        id="a14"
                        x3="6.08954847"
                        xFract="0.88445419"
                        y3="3.50101211"
                        yFract="0.44083036"
                        z3="5.74755011"
                        zFract="0.2911025"/>
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                        x3="-1.54736787"
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                        y3="6.16033454"
                        yFract="0.77567926"
                        z3="5.7567369"
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                        y3="6.13004744"
                        yFract="0.77186566"
                        z3="5.77095678"
                        zFract="0.292288"/>
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                        z3="5.75453972"
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                        yFract="0.88309768"
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                        x3="-3.08933968"
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                        yFract="0.55465908"
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                        x3="-1.4953503"
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                        y3="4.36738588"
                        yFract="0.54991991"
                        z3="3.12452596"
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                        id="a24"
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                        xFract="0.77791487"
                        y3="1.72354745"
                        yFract="0.21702068"
                        z3="3.14643749"
                        zFract="0.15936108"/>
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                        id="a25"
                        x3="3.09546208"
                        xFract="0.44648933"
                        y3="1.73041226"
                        yFract="0.21788507"
                        z3="3.12530866"
                        zFract="0.15829095"/>
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                        id="a26"
                        x3="0.03428349"
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                        y3="1.72088359"
                        yFract="0.21668526"
                        z3="3.12859447"
                        zFract="0.15845737"/>
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                        y3="7.07944163"
                        yFract="0.89140874"
                        z3="7.04722583"
                        zFract="0.3569286"/>
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                        y3="7.05126627"
                        yFract="0.88786104"
                        z3="7.04707558"
                        zFract="0.35692099"/>
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                        id="a29"
                        x3="-3.04048591"
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                        z3="7.04818809"
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                  <bond atomRefs2="a6 a47" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a6 a32" order="S"/>
                  <bond atomRefs2="a7 a31" order="S"/>
                  <bond atomRefs2="a7 a28" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a46" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a8 a53" order="S"/>
                  <bond atomRefs2="a8 a27" order="S"/>
                  <bond atomRefs2="a8 a49" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a31" order="S"/>
                  <bond atomRefs2="a8 a50" order="S"/>
                  <bond atomRefs2="a9 a40" order="S"/>
                  <bond atomRefs2="a9 a35" order="S"/>
                  <bond atomRefs2="a9 a34" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a10 a34" order="S"/>
                  <bond atomRefs2="a10 a33" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a39" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a12 a35" order="S"/>
                  <bond atomRefs2="a12 a32" order="S"/>
                  <bond atomRefs2="a12 a63" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a13 a44" order="S"/>
                  <bond atomRefs2="a13 a30" order="S"/>
                  <bond atomRefs2="a13 a41" order="S"/>
                  <bond atomRefs2="a13 a34" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a13 a63" order="S"/>
                  <bond atomRefs2="a13 a40" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a14 a30" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a31" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a16 a43" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a17 a44" order="S"/>
                  <bond atomRefs2="a17 a30" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a18 a44" order="S"/>
                  <bond atomRefs2="a18 a56" order="S"/>
                  <bond atomRefs2="a18 a36" order="S"/>
                  <bond atomRefs2="a18 a38" order="S"/>
                  <bond atomRefs2="a18 a55" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a19 a38" order="S"/>
                  <bond atomRefs2="a19 a55" order="S"/>
                  <bond atomRefs2="a19 a54" order="S"/>
                  <bond atomRefs2="a19 a37" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a20 a54" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a21 a42" order="S"/>
                  <bond atomRefs2="a21 a57" order="S"/>
                  <bond atomRefs2="a21 a58" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a55" order="S"/>
                  <bond atomRefs2="a22 a58" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a23 a54" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a24 a62" order="S"/>
                  <bond atomRefs2="a24 a41" order="S"/>
                  <bond atomRefs2="a24 a57" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a25 a58" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a25 a60" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a59" order="S"/>
                  <bond atomRefs2="a26 a60" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a34 a63" order="S"/>
                  <bond atomRefs2="a35 a63" order="S"/>
                  <bond atomRefs2="a45 a63" order="S"/>
                  <bond atomRefs2="a46 a63" order="S"/>
               </bondArray>
               <formula concise="C18O18RhTi26">
                  <atomArray count="18 18 1 26" elementType="C O Rh Ti"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1851.629299999999</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
