<?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 May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-09-16T03:15:16.000</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">8.417483999</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">90.0</scalar>
               </crystal>
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                        xFract="0.1250"
                        y3="1.40291403"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a2"
                        x3="4.208742"
                        xFract="0.3750"
                        y3="1.40291403"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a3"
                        x3="7.01457"
                        xFract="0.6250"
                        y3="1.40291403"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a4"
                        x3="9.820398"
                        xFract="0.8750"
                        y3="1.40291403"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="1.402914"
                        xFract="0.1250"
                        y3="4.208742"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a6"
                        x3="4.208742"
                        xFract="0.3750"
                        y3="4.208742"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a7"
                        x3="7.01457"
                        xFract="0.6250"
                        y3="4.208742"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a8"
                        x3="9.820398"
                        xFract="0.8750"
                        y3="4.208742"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a9"
                        x3="1.402914"
                        xFract="0.1250"
                        y3="7.01456997"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="4.208742"
                        xFract="0.3750"
                        y3="7.01456997"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a11"
                        x3="7.01457"
                        xFract="0.6250"
                        y3="7.01456997"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="9.820398"
                        xFract="0.8750"
                        y3="7.01456997"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="2.805828"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="5.611656"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="8.417484"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.80582797"
                        yFract="0.33333333"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a18"
                        x3="2.805828"
                        xFract="0.2500"
                        y3="2.80582797"
                        yFract="0.33333333"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a19"
                        x3="5.611656"
                        xFract="0.5000"
                        y3="2.80582797"
                        yFract="0.33333333"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="8.417484"
                        xFract="0.7500"
                        y3="2.80582797"
                        yFract="0.33333333"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.61165603"
                        yFract="0.66666667"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="2.805828"
                        xFract="0.2500"
                        y3="5.61165603"
                        yFract="0.66666667"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a23"
                        x3="5.611656"
                        xFract="0.5000"
                        y3="5.61165603"
                        yFract="0.66666667"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a24"
                        x3="8.417484"
                        xFract="0.7500"
                        y3="5.61165603"
                        yFract="0.66666667"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a25"
                        x3="1.39382839"
                        xFract="0.12419047"
                        y3="1.39972616"
                        yFract="0.16628795"
                        z3="3.9068476"
                        zFract="0.19534238"/>
                  <atom elementType="Pt"
                        id="a26"
                        x3="4.21555803"
                        xFract="0.37560731"
                        y3="1.39867178"
                        yFract="0.16616269"
                        z3="3.91103"
                        zFract="0.1955515"/>
                  <atom elementType="Pt"
                        id="a27"
                        x3="7.01809255"
                        xFract="0.62531386"
                        y3="1.40357169"
                        yFract="0.1667448"
                        z3="3.9195672"
                        zFract="0.19597836"/>
                  <atom elementType="Pt"
                        id="a28"
                        x3="9.81114842"
                        xFract="0.87417586"
                        y3="1.40463532"
                        yFract="0.16687116"
                        z3="3.9181166"
                        zFract="0.19590583"/>
                  <atom elementType="Pt"
                        id="a29"
                        x3="1.39709022"
                        xFract="0.1244811"
                        y3="4.21224813"
                        yFract="0.50041653"
                        z3="3.9082958"
                        zFract="0.19541479"/>
                  <atom elementType="Pt"
                        id="a30"
                        x3="4.20241733"
                        xFract="0.37443647"
                        y3="4.21448601"
                        yFract="0.50068239"
                        z3="3.9182624"
                        zFract="0.19591312"/>
                  <atom elementType="Pt"
                        id="a31"
                        x3="7.01510995"
                        xFract="0.62504811"
                        y3="4.20728375"
                        yFract="0.49982676"
                        z3="3.91681"
                        zFract="0.1958405"/>
                  <atom elementType="Pt"
                        id="a32"
                        x3="9.81376121"
                        xFract="0.87440866"
                        y3="4.20710101"
                        yFract="0.49980505"
                        z3="3.9182716"
                        zFract="0.19591358"/>
                  <atom elementType="Pt"
                        id="a33"
                        x3="1.39577115"
                        xFract="0.12436357"
                        y3="7.01386762"
                        yFract="0.83324989"
                        z3="3.9162986"
                        zFract="0.19581493"/>
                  <atom elementType="Pt"
                        id="a34"
                        x3="4.20022283"
                        xFract="0.37424094"
                        y3="7.00498894"
                        yFract="0.8321951"
                        z3="3.930128"
                        zFract="0.1965064"/>
                  <atom elementType="Pt"
                        id="a35"
                        x3="7.01446663"
                        xFract="0.62499079"
                        y3="7.01548428"
                        yFract="0.83344195"
                        z3="3.9179922"
                        zFract="0.19589961"/>
                  <atom elementType="Pt"
                        id="a36"
                        x3="9.81485076"
                        xFract="0.87450574"
                        y3="7.016907"
                        yFract="0.83361097"
                        z3="3.9178898"
                        zFract="0.19589449"/>
                  <atom elementType="Pt"
                        id="a37"
                        x3="11.21486836"
                        xFract="0.99924767"
                        y3="0.00643172"
                        yFract="0.00076409"
                        z3="5.8328522"
                        zFract="0.29164261"/>
                  <atom elementType="Pt"
                        id="a38"
                        x3="2.80011298"
                        xFract="0.24949079"
                        y3="0.02384976"
                        yFract="0.00283336"
                        z3="5.8198084"
                        zFract="0.29099042"/>
                  <atom elementType="Pt"
                        id="a39"
                        x3="5.61822085"
                        xFract="0.50058493"
                        y3="0.00346009"
                        yFract="0.00041106"
                        z3="5.8325246"
                        zFract="0.29162623"/>
                  <atom elementType="Pt"
                        id="a40"
                        x3="8.41641913"
                        xFract="0.74990512"
                        y3="8.41442147"
                        yFract="0.99963617"
                        z3="5.8459318"
                        zFract="0.29229659"/>
                  <atom elementType="Pt"
                        id="a41"
                        x3="11.21408329"
                        xFract="0.99917772"
                        y3="2.80222251"
                        yFract="0.332905"
                        z3="5.8295358"
                        zFract="0.29147679"/>
                  <atom elementType="Pt"
                        id="a42"
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                        y3="2.78798358"
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                  <atom elementType="Pt"
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                        x3="5.61221616"
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                        y3="2.80950986"
                        yFract="0.33377074"
                        z3="5.8361812"
                        zFract="0.29180906"/>
                  <atom elementType="Pt"
                        id="a44"
                        x3="8.41310556"
                        xFract="0.74960988"
                        y3="2.80794354"
                        yFract="0.33358466"
                        z3="5.849483"
                        zFract="0.29247415"/>
                  <atom elementType="Pt"
                        id="a45"
                        x3="11.18797046"
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                        id="a47"
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                        yFract="0.66520763"
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                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a33" order="S"/>
                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a39" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a44" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a37" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a43" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
               </bondArray>
               <formula concise="C4H8O2Pt48">
                  <atomArray count="4 8 2 48" elementType="C H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">9443.78560000001</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</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">0.1500</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">516.0000</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="4">PAW_PBE Pt 04Feb2005|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Pt H C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">195.080 1.000 12.011 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">10.000 1.000 4.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">48 8 4 2</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="1560">-21.3754 -19.3062 -13.5785 -11.2992 -9.1382 -8.2812 -8.0798 -6.7371 -6.7353 -6.4149 -6.2554 -6.0316 -6.0289 -5.7889 -5.4913 -5.4869 -5.4749 -5.4450 -5.3972 -5.3930 -5.1543 -5.0291 -5.0275 -5.0259 -5.0246 -4.9232 -4.8267 -4.8178 -4.7960 -4.7664 -4.7616 -4.7123 -4.5879 -4.5826 -4.5415 -4.5396 -4.5295 -4.5041 -4.4762 -4.4378 -4.3513 -4.3261 -4.3236 -4.3207 -4.3193 -4.3181 -4.3018 -4.1488 -4.1302 -4.1271 -4.0409 -4.0241 -4.0230 -4.0222 -4.0191 -3.9736 -3.9731 -3.9703 -3.9695 -3.9640 -3.7727 -3.7700 -3.7165 -3.6638 -3.6614 -3.6596 -3.6587 -3.5634 -3.4842 -3.4816 -3.3642 -3.3634 -3.2847 -3.2773 -3.2222 -3.2185 -3.1643 -3.1616 -3.0710 -3.0585 -3.0536 -3.0528 -2.9854 -2.9687 -2.7613 -2.7596 -2.7576 -2.7556 -2.7275 -2.7248 -2.6852 -2.6794 -2.6747 -2.6744 -2.6699 -2.6550 -2.6064 -2.6056 -2.5084 -2.5000 -2.4957 -2.4929 -2.4721 -2.4685 -2.4649 -2.4644 -2.4295 -2.2878 -2.2613 -2.2611 -2.2352 -2.2205 -2.1851 -2.1817 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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">-356.58576065</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-356.54288707</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-356.56432386</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">1.2122</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3310115E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">11.223311999</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.417483999</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">90.0</scalar>
               </crystal>
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                        y3="1.40291"
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a2"
                        x3="4.20874"
                        xFract="0.37499982"
                        y3="1.40291"
                        yFract="0.16666619"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="7.01457"
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        z3="0.0000"
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                        z3="0.0000"
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                        z3="0.0000"
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                        zFract="0.1960225"/>
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                        id="a27"
                        x3="7.01468"
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                        id="a28"
                        x3="9.81912"
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                        zFract="0.1960375"/>
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                        zFract="0.2919465"/>
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                        id="a43"
                        x3="5.60883"
                        xFract="0.4997482"
                        y3="2.80951"
                        yFract="0.33377076"
                        z3="5.84668"
                        zFract="0.292334"/>
                  <atom elementType="Pt"
                        id="a44"
                        x3="8.41537"
                        xFract="0.74981164"
                        y3="2.80625"
                        yFract="0.33338347"
                        z3="5.8419"
                        zFract="0.292095"/>
                  <atom elementType="Pt"
                        id="a45"
                        x3="11.21716"
                        xFract="0.99945186"
                        y3="5.61114"
                        yFract="0.66660537"
                        z3="5.84004"
                        zFract="0.292002"/>
                  <atom elementType="Pt"
                        id="a46"
                        x3="2.79683"
                        xFract="0.24919828"
                        y3="5.60461"
                        yFract="0.6658296"
                        z3="5.8355"
                        zFract="0.291775"/>
                  <atom elementType="Pt"
                        id="a47"
                        x3="5.61838"
                        xFract="0.50059911"
                        y3="5.60887"
                        yFract="0.66633569"
                        z3="5.84393"
                        zFract="0.2921965"/>
                  <atom elementType="Pt"
                        id="a48"
                        x3="8.41773"
                        xFract="0.75002192"
                        y3="5.61218"
                        yFract="0.66672892"
                        z3="5.84213"
                        zFract="0.2921065"/>
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                        id="a49"
                        x3="2.25293"
                        xFract="0.20073665"
                        y3="1.65516"
                        yFract="0.19663358"
                        z3="8.84353"
                        zFract="0.4421765"/>
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                        id="a50"
                        x3="0.66673"
                        xFract="0.05940582"
                        y3="1.99341"
                        yFract="0.23681779"
                        z3="9.56587"
                        zFract="0.4782935"/>
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                        x3="2.12392"
                        xFract="0.18924182"
                        y3="1.98172"
                        yFract="0.23542902"
                        z3="10.5881"
                        zFract="0.529405"/>
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                        id="a52"
                        x3="1.38531"
                        xFract="0.12343148"
                        y3="4.36633"
                        yFract="0.51872151"
                        z3="10.07206"
                        zFract="0.503603"/>
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                        id="a53"
                        x3="1.50319"
                        xFract="0.13393462"
                        y3="4.02414"
                        yFract="0.47806922"
                        z3="8.34652"
                        zFract="0.417326"/>
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                        id="a54"
                        x3="3.95456"
                        xFract="0.35235232"
                        y3="3.55659"
                        yFract="0.42252412"
                        z3="8.58188"
                        zFract="0.429094"/>
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                        id="a55"
                        x3="3.86504"
                        xFract="0.34437606"
                        y3="3.89389"
                        yFract="0.46259547"
                        z3="10.3163"
                        zFract="0.515815"/>
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                        id="a56"
                        x3="5.5488"
                        xFract="0.49439951"
                        y3="5.20164"
                        yFract="0.61795662"
                        z3="9.18174"
                        zFract="0.459087"/>
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                        x3="1.73116"
                        xFract="0.1542468"
                        y3="2.26573"
                        yFract="0.2691695"
                        z3="9.59914"
                        zFract="0.479957"/>
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                        xFract="0.17156433"
                        y3="3.75675"
                        yFract="0.44630319"
                        z3="9.33179"
                        zFract="0.4665895"/>
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                        xFract="0.30311552"
                        y3="4.1428"
                        yFract="0.49216607"
                        z3="9.34387"
                        zFract="0.4671935"/>
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                        x3="3.65991"
                        xFract="0.32609893"
                        y3="5.60832"
                        yFract="0.66627035"
                        z3="9.05649"
                        zFract="0.4528245"/>
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                        x3="2.80559"
                        xFract="0.24997879"
                        y3="6.44887"
                        yFract="0.76612798"
                        z3="8.8319"
                        zFract="0.441595"/>
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                        x3="4.97925"
                        xFract="0.44365246"
                        y3="5.98522"
                        yFract="0.7110462"
                        z3="9.04826"
                        zFract="0.452413"/>
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               <bondArray>
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                  <bond atomRefs2="a4 a8" order="S"/>
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                  <bond atomRefs2="a7 a11" order="S"/>
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                  <bond atomRefs2="a8 a20" order="S"/>
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                  <bond atomRefs2="a9 a22" order="S"/>
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                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
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                  <bond atomRefs2="a14 a25" order="S"/>
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                  <bond atomRefs2="a14 a15" order="S"/>
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                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a29" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a29" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a30" order="S"/>
                  <bond atomRefs2="a19 a26" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a30" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a20 a27" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a33" order="S"/>
                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a39" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a44" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a40" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a37" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a43" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
               </bondArray>
               <formula concise="C4H8O2Pt48">
                  <atomArray count="4 8 2 48" elementType="C H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">9443.78560000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
