<?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">2025-11-09T10:36:30.000</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="7.93489688"
                        yFract="0.9991235"
                        z3="8.26265137"
                        zFract="0.41848759"/>
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                        id="a2"
                        x3="-1.39929396"
                        xFract="0.34512865"
                        y3="7.90557364"
                        yFract="0.99543126"
                        z3="8.29962117"
                        zFract="0.42036004"/>
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                        id="a3"
                        x3="6.17395313"
                        xFract="0.67967776"
                        y3="0.1022079"
                        yFract="0.01286952"
                        z3="8.36335722"
                        zFract="0.42358815"/>
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                        x3="7.62604344"
                        xFract="0.99581955"
                        y3="2.60862006"
                        yFract="0.32846471"
                        z3="8.31711205"
                        zFract="0.42124592"/>
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                        x3="4.70536959"
                        xFract="0.67758373"
                        y3="2.61260822"
                        yFract="0.32896688"
                        z3="8.30548042"
                        zFract="0.4206568"/>
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                        id="a6"
                        x3="-3.02190719"
                        xFract="0.00531025"
                        y3="5.31844329"
                        yFract="0.66967243"
                        z3="8.36981018"
                        zFract="0.42391498"/>
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                        id="a7"
                        x3="-0.00448899"
                        xFract="0.33665563"
                        y3="5.35511752"
                        yFract="0.67429027"
                        z3="8.25311597"
                        zFract="0.41800464"/>
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                        id="a8"
                        x3="3.15579322"
                        xFract="0.6829954"
                        y3="5.38251066"
                        yFract="0.67773948"
                        z3="8.22429751"
                        zFract="0.41654504"/>
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                        id="a9"
                        x3="1.49507243"
                        xFract="0.21705717"
                        y3="0.858133"
                        yFract="0.10805192"
                        z3="5.84659113"
                        zFract="0.29611873"/>
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                        id="a10"
                        x3="4.52307372"
                        xFract="0.5482583"
                        y3="0.87418556"
                        yFract="0.11007318"
                        z3="5.80447681"
                        zFract="0.29398572"/>
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                        id="a11"
                        x3="7.61587555"
                        xFract="0.88519441"
                        y3="0.86909308"
                        yFract="0.10943196"
                        z3="5.79646013"
                        zFract="0.29357969"/>
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                        id="a12"
                        x3="-0.04019797"
                        xFract="0.21669687"
                        y3="3.51157642"
                        yFract="0.44216057"
                        z3="5.84258051"
                        zFract="0.2959156"/>
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                        id="a13"
                        x3="3.01938536"
                        xFract="0.55026367"
                        y3="3.51050292"
                        yFract="0.4420254"
                        z3="5.8504892"
                        zFract="0.29631616"/>
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                        id="a14"
                        x3="6.07754813"
                        xFract="0.88435734"
                        y3="3.52025854"
                        yFract="0.44325378"
                        z3="5.80614479"
                        zFract="0.2940702"/>
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                        x3="-1.58260312"
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                        y3="6.14450834"
                        yFract="0.77368651"
                        z3="5.77088898"
                        zFract="0.29228456"/>
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                        id="a16"
                        x3="1.49591676"
                        xFract="0.55041168"
                        y3="6.15157889"
                        yFract="0.7745768"
                        z3="5.80210081"
                        zFract="0.29386538"/>
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                        id="a17"
                        x3="4.5649381"
                        xFract="0.88569319"
                        y3="6.16139424"
                        yFract="0.7758127"
                        z3="5.76304387"
                        zFract="0.29188722"/>
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                        id="a18"
                        x3="3.05433892"
                        xFract="0.77561179"
                        y3="7.02932709"
                        yFract="0.88509857"
                        z3="3.18632172"
                        zFract="0.16138114"/>
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                        id="a19"
                        x3="-0.05286752"
                        xFract="0.4404194"
                        y3="7.08706582"
                        yFract="0.89236875"
                        z3="3.22383211"
                        zFract="0.16328097"/>
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                        id="a20"
                        x3="-3.08040161"
                        xFract="0.10990761"
                        y3="7.08115335"
                        yFract="0.89162428"
                        z3="3.18182698"
                        zFract="0.16115349"/>
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                        id="a21"
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                        xFract="0.77241258"
                        y3="4.36990106"
                        yFract="0.55023662"
                        z3="3.24772106"
                        zFract="0.1644909"/>
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                        xFract="0.44268897"
                        y3="4.45144853"
                        yFract="0.56050468"
                        z3="3.25155556"
                        zFract="0.16468511"/>
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                        id="a23"
                        x3="-1.52902664"
                        xFract="0.10863307"
                        y3="4.37384864"
                        yFract="0.55073368"
                        z3="3.21739495"
                        zFract="0.16295494"/>
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                        id="a24"
                        x3="6.09338282"
                        xFract="0.77487716"
                        y3="1.75387998"
                        yFract="0.22084001"
                        z3="3.22487657"
                        zFract="0.16333387"/>
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                        id="a25"
                        x3="3.0220425"
                        xFract="0.44156078"
                        y3="1.7792948"
                        yFract="0.22404012"
                        z3="3.25846875"
                        zFract="0.16503525"/>
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                        id="a26"
                        x3="-0.04490452"
                        xFract="0.10464027"
                        y3="1.73985323"
                        yFract="0.21907383"
                        z3="3.2857598"
                        zFract="0.16641749"/>
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                        xFract="0.77915053"
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                        z3="7.05930593"
                        zFract="0.35754043"/>
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                  <bond atomRefs2="a18 a38" order="S"/>
                  <bond atomRefs2="a18 a44" order="S"/>
                  <bond atomRefs2="a19 a51" order="S"/>
                  <bond atomRefs2="a19 a38" order="S"/>
                  <bond atomRefs2="a19 a52" order="S"/>
                  <bond atomRefs2="a19 a37" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a21 a42" order="S"/>
                  <bond atomRefs2="a21 a54" order="S"/>
                  <bond atomRefs2="a21 a55" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a56" order="S"/>
                  <bond atomRefs2="a22 a52" order="S"/>
                  <bond atomRefs2="a22 a55" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a23 a56" order="S"/>
                  <bond atomRefs2="a23 a51" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a24 a58" order="S"/>
                  <bond atomRefs2="a24 a41" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a25 a58" order="S"/>
                  <bond atomRefs2="a25 a55" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a25 a57" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a57" order="S"/>
                  <bond atomRefs2="a26 a56" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a35 a60" order="S"/>
                  <bond atomRefs2="a47 a61" order="S"/>
               </bondArray>
               <formula concise="C18HO15RhTi26">
                  <atomArray count="18 1 15 1 26" elementType="C H O Rh Ti"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1803.6310999999992</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">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.2000</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">432.0000</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="5">PAW_PBE Ti_pv 07Sep2000|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002|PAW_PBE Rh 04Feb2005|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="5">Ti C O Rh H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">47.880 12.011 16.000 102.906 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">10.000 4.000 6.000 9.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">26 18 15 1 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">-558.95820684</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-558.92762437</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-558.94801268</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.0982</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1000517E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.170468</scalar>
                  <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>
               <atomArray>
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                        xFract="0.99883976"
                        y3="7.93469495"
                        yFract="0.99909806"
                        z3="8.26265874"
                        zFract="0.41848797"/>
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                        id="a2"
                        x3="-1.39933424"
                        xFract="0.34511658"
                        y3="7.90545171"
                        yFract="0.9954159"
                        z3="8.2995966"
                        zFract="0.4203588"/>
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                        id="a3"
                        x3="6.17392398"
                        xFract="0.67966584"
                        y3="0.10206944"
                        yFract="0.01285209"
                        z3="8.36332975"
                        zFract="0.42358677"/>
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                        x3="7.62600141"
                        xFract="0.99580729"
                        y3="2.60849868"
                        yFract="0.32844942"
                        z3="8.31709059"
                        zFract="0.42124484"/>
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                        id="a5"
                        x3="4.70533715"
                        xFract="0.67757256"
                        y3="2.61248735"
                        yFract="0.32895166"
                        z3="8.30544536"
                        zFract="0.42065503"/>
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                        id="a6"
                        x3="-3.02195521"
                        xFract="0.00529586"
                        y3="5.31829778"
                        yFract="0.6696541"
                        z3="8.36979266"
                        zFract="0.4239141"/>
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                        id="a7"
                        x3="-0.00452262"
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                        y3="5.35499698"
                        yFract="0.67427508"
                        z3="8.25307969"
                        zFract="0.41800281"/>
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                        id="a8"
                        x3="3.15577064"
                        xFract="0.68298247"
                        y3="5.38234468"
                        yFract="0.67771857"
                        z3="8.22428523"
                        zFract="0.41654443"/>
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                        id="a9"
                        x3="1.49503515"
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                        y3="0.85800388"
                        yFract="0.10803566"
                        z3="5.84656375"
                        zFract="0.29611735"/>
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                        id="a10"
                        x3="4.52303436"
                        xFract="0.54824603"
                        y3="0.87405916"
                        yFract="0.11005726"
                        z3="5.80445876"
                        zFract="0.29398481"/>
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                        id="a11"
                        x3="7.6158275"
                        xFract="0.88518114"
                        y3="0.86896603"
                        yFract="0.10941596"
                        z3="5.796435"
                        zFract="0.29357842"/>
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                        id="a12"
                        x3="-0.04023485"
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                        y3="3.51145087"
                        yFract="0.44214476"
                        z3="5.84256101"
                        zFract="0.29591462"/>
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                        id="a13"
                        x3="3.01934804"
                        xFract="0.5502517"
                        y3="3.51037771"
                        yFract="0.44200963"
                        z3="5.85047305"
                        zFract="0.29631535"/>
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                        id="a14"
                        x3="6.07750386"
                        xFract="0.88434449"
                        y3="3.52013155"
                        yFract="0.44323778"
                        z3="5.80613279"
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                        x3="-1.58264495"
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                        z3="5.7708688"
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                        yFract="0.77456318"
                        z3="5.80207987"
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                        z3="5.76302724"
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                        x3="-3.080442"
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                        id="a23"
                        x3="-1.52907385"
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                        y3="4.3737283"
                        yFract="0.55071852"
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                        id="a24"
                        x3="6.09334384"
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                        y3="1.75375075"
                        yFract="0.22082374"
                        z3="3.22485598"
                        zFract="0.16333283"/>
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                        id="a25"
                        x3="3.0220054"
                        xFract="0.44154926"
                        y3="1.77917626"
                        yFract="0.22402519"
                        z3="3.25845051"
                        zFract="0.16503433"/>
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                        id="a26"
                        x3="-0.04494651"
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                        y3="1.73973689"
                        yFract="0.21905918"
                        z3="3.28573747"
                        zFract="0.16641636"/>
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                        x3="3.07433168"
                        xFract="0.77913532"
                        y3="7.05066572"
                        yFract="0.88778542"
                        z3="7.05929592"
                        zFract="0.35753993"/>
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                        id="a28"
                        x3="-0.01681352"
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                        y3="7.04800958"
                        yFract="0.88745097"
                        z3="7.06308441"
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                        yFract="0.89134535"
                        z3="7.05965395"
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                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a33" order="S"/>
                  <bond atomRefs2="a4 a48" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a49" order="S"/>
                  <bond atomRefs2="a5 a33" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a5 a46" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a30" order="S"/>
                  <bond atomRefs2="a6 a32" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a6 a45" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a28" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a45" order="S"/>
                  <bond atomRefs2="a7 a31" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a27" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a50" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a8 a31" order="S"/>
                  <bond atomRefs2="a9 a40" order="S"/>
                  <bond atomRefs2="a9 a35" order="S"/>
                  <bond atomRefs2="a9 a60" order="S"/>
                  <bond atomRefs2="a9 a34" order="S"/>
                  <bond atomRefs2="a10 a33" order="S"/>
                  <bond atomRefs2="a10 a34" order="S"/>
                  <bond atomRefs2="a10 a41" order="S"/>
                  <bond atomRefs2="a11 a39" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a12 a35" order="S"/>
                  <bond atomRefs2="a12 a32" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a13 a34" order="S"/>
                  <bond atomRefs2="a13 a41" order="S"/>
                  <bond atomRefs2="a13 a30" order="S"/>
                  <bond atomRefs2="a13 a40" order="S"/>
                  <bond atomRefs2="a13 a60" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a13 a44" order="S"/>
                  <bond atomRefs2="a14 a30" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a31" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a43" order="S"/>
                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a17 a30" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a17 a44" order="S"/>
                  <bond atomRefs2="a18 a53" order="S"/>
                  <bond atomRefs2="a18 a36" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a38" order="S"/>
                  <bond atomRefs2="a18 a44" order="S"/>
                  <bond atomRefs2="a19 a51" order="S"/>
                  <bond atomRefs2="a19 a38" order="S"/>
                  <bond atomRefs2="a19 a52" order="S"/>
                  <bond atomRefs2="a19 a37" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a21 a42" order="S"/>
                  <bond atomRefs2="a21 a54" order="S"/>
                  <bond atomRefs2="a21 a55" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a56" order="S"/>
                  <bond atomRefs2="a22 a52" order="S"/>
                  <bond atomRefs2="a22 a55" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a23 a56" order="S"/>
                  <bond atomRefs2="a23 a51" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a24 a58" order="S"/>
                  <bond atomRefs2="a24 a41" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a25 a58" order="S"/>
                  <bond atomRefs2="a25 a55" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a25 a57" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a57" order="S"/>
                  <bond atomRefs2="a26 a56" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a35 a60" order="S"/>
                  <bond atomRefs2="a47 a61" order="S"/>
               </bondArray>
               <formula concise="C18HO15RhTi26">
                  <atomArray count="18 1 15 1 26" elementType="C H O Rh Ti"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1803.6310999999992</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
