<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.95</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.95</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.152091</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
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                        id="a1"
                        x3="1.44728001"
                        xFract="0.1820478"
                        y3="4.70346001"
                        yFract="0.59163019"
                        z3="11.73476995"
                        zFract="0.58231029"/>
                  <atom elementType="H"
                        id="a2"
                        x3="0.96552003"
                        xFract="0.12144906"
                        y3="6.18909003"
                        yFract="0.77850189"
                        z3="10.8558099"
                        zFract="0.53869397"/>
                  <atom elementType="H"
                        id="a3"
                        x3="3.70456"
                        xFract="0.46598239"
                        y3="3.56894"
                        yFract="0.44892327"
                        z3="11.27145001"
                        zFract="0.55931913"/>
                  <atom elementType="H"
                        id="a4"
                        x3="2.33994004"
                        xFract="0.29433208"
                        y3="2.42249999"
                        yFract="0.30471698"
                        z3="11.30209993"
                        zFract="0.56084006"/>
                  <atom elementType="H"
                        id="a5"
                        x3="3.84963001"
                        xFract="0.48423019"
                        y3="1.98903999"
                        yFract="0.25019371"
                        z3="10.43817999"
                        zFract="0.51797007"/>
                  <atom elementType="H"
                        id="a6"
                        x3="2.69759003"
                        xFract="0.3393195"
                        y3="5.79285002"
                        yFract="0.72866038"
                        z3="11.05700999"
                        zFract="0.54867805"/>
                  <atom elementType="H"
                        id="a7"
                        x3="0.53744997"
                        xFract="0.06760377"
                        y3="4.18027997"
                        yFract="0.52582138"
                        z3="9.59793009"
                        zFract="0.47627465"/>
                  <atom elementType="H"
                        id="a8"
                        x3="5.01191699"
                        xFract="0.63042981"
                        y3="4.98935521"
                        yFract="0.62759185"
                        z3="8.02610004"
                        zFract="0.39827629"/>
                  <atom elementType="C"
                        id="a9"
                        x3="1.67517002"
                        xFract="0.21071321"
                        y3="4.59503998"
                        yFract="0.57799245"
                        z3="9.56922001"
                        zFract="0.47484998"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.60252997"
                        xFract="0.32736226"
                        y3="3.43183"
                        yFract="0.43167673"
                        z3="9.41410009"
                        zFract="0.46715252"/>
                  <atom elementType="C"
                        id="a11"
                        x3="1.69611"
                        xFract="0.21334717"
                        y3="5.36912997"
                        yFract="0.67536226"
                        z3="10.88871001"
                        zFract="0.54032656"/>
                  <atom elementType="C"
                        id="a12"
                        x3="3.16331001"
                        xFract="0.39790063"
                        y3="2.81292998"
                        yFract="0.35382767"
                        z3="10.67568991"
                        zFract="0.52975594"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="3.94566999"
                        xFract="0.49631069"
                        y3="0.01176998"
                        yFract="0.0014805"
                        z3="7.90733006"
                        zFract="0.39238261"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="0.00787996"
                        xFract="0.00099119"
                        y3="0.02598998"
                        yFract="0.00326918"
                        z3="7.90569009"
                        zFract="0.39230123"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="4.00503001"
                        xFract="0.50377736"
                        y3="3.99326004"
                        yFract="0.50229686"
                        z3="8.00225004"
                        zFract="0.39709279"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="7.81099004"
                        xFract="0.98251447"
                        y3="3.96899998"
                        yFract="0.49924528"
                        z3="7.95561004"
                        zFract="0.39477839"/>
                  <atom elementType="Pt"
                        id="a17"
                        x3="5.93567002"
                        xFract="0.74662516"
                        y3="1.95332001"
                        yFract="0.24570063"
                        z3="7.89199009"
                        zFract="0.3916214"/>
                  <atom elementType="Pt"
                        id="a18"
                        x3="1.96828"
                        xFract="0.24758239"
                        y3="2.03113"
                        yFract="0.25548805"
                        z3="8.02610004"
                        zFract="0.39827629"/>
                  <atom elementType="Pt"
                        id="a19"
                        x3="5.92062004"
                        xFract="0.74473208"
                        y3="6.01469"
                        yFract="0.75656478"
                        z3="7.89602998"
                        zFract="0.39182187"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="1.98505999"
                        xFract="0.24969308"
                        y3="5.95325002"
                        yFract="0.74883648"
                        z3="8.00395994"
                        zFract="0.39717764"/>
                  <atom elementType="Pt"
                        id="a21"
                        x3="3.95023003"
                        xFract="0.49688428"
                        y3="2.00589002"
                        yFract="0.25231321"
                        z3="5.95218991"
                        zFract="0.29536339"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="0.01414997"
                        xFract="0.00177987"
                        y3="2.00567998"
                        yFract="0.25228679"
                        z3="5.94237"
                        zFract="0.2948761"/>
                  <atom elementType="Pt"
                        id="a23"
                        x3="3.95695"
                        xFract="0.49772956"
                        y3="5.96906002"
                        yFract="0.75082516"
                        z3="5.9374801"
                        zFract="0.29463345"/>
                  <atom elementType="Pt"
                        id="a24"
                        x3="0.00403001"
                        xFract="0.00050692"
                        y3="5.97697003"
                        yFract="0.75182013"
                        z3="5.95354998"
                        zFract="0.29543088"/>
                  <atom elementType="Pt"
                        id="a25"
                        x3="5.95823999"
                        xFract="0.74946415"
                        y3="0.01509999"
                        yFract="0.00189937"
                        z3="5.92778009"
                        zFract="0.29415211"/>
                  <atom elementType="Pt"
                        id="a26"
                        x3="1.98212"
                        xFract="0.24932327"
                        y3="0.00381998"
                        yFract="0.0004805"
                        z3="5.9916999"
                        zFract="0.29732398"/>
                  <atom elementType="Pt"
                        id="a27"
                        x3="5.95980002"
                        xFract="0.74966038"
                        y3="3.98643003"
                        yFract="0.50143774"
                        z3="5.96785998"
                        zFract="0.29614098"/>
                  <atom elementType="Pt"
                        id="a28"
                        x3="1.97456002"
                        xFract="0.24837233"
                        y3="3.99408"
                        yFract="0.5024"
                        z3="5.9576201"
                        zFract="0.29563285"/>
                  <atom elementType="Pt"
                        id="a29"
                        x3="3.96897"
                        xFract="0.49924151"
                        y3="0.02184"
                        yFract="0.00274717"
                        z3="3.96606008"
                        zFract="0.19680638"/>
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                        xFract="0.00248176"
                        y3="0.02130998"
                        yFract="0.0026805"
                        z3="3.96940996"
                        zFract="0.19697261"/>
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                        xFract="0.50229811"
                        y3="3.99126999"
                        yFract="0.50204654"
                        z3="3.97184998"
                        zFract="0.19709369"/>
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                        id="a32"
                        x3="0.00578998"
                        xFract="0.0007283"
                        y3="3.99507001"
                        yFract="0.50252453"
                        z3="3.9585101"
                        zFract="0.19643173"/>
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                        id="a33"
                        x3="5.96766996"
                        xFract="0.75065031"
                        y3="2.00589002"
                        yFract="0.25231321"
                        z3="3.96802995"
                        zFract="0.19690413"/>
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                        id="a34"
                        x3="1.99659997"
                        xFract="0.25114465"
                        y3="2.01413997"
                        yFract="0.25335094"
                        z3="3.96474999"
                        zFract="0.19674137"/>
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                        id="a35"
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                        xFract="0.7510478"
                        y3="5.98244003"
                        yFract="0.75250818"
                        z3="3.96632004"
                        zFract="0.19681928"/>
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                        xFract="0.25090943"
                        y3="5.97443001"
                        yFract="0.75150063"
                        z3="3.96049004"
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                        id="a37"
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                        yFract="0.2530"
                        z3="1.98749997"
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                        xFract="0.0020"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="1.98749997"
                        zFract="0.098625"/>
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                        id="a39"
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                        xFract="0.5020"
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                        yFract="0.7530"
                        z3="1.98749997"
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                        xFract="0.0020"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="1.98749997"
                        zFract="0.098625"/>
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                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a45 a49" order="S"/>
                  <bond atomRefs2="a45 a50" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a47 a51" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a48 a50" order="S"/>
               </bondArray>
               <formula concise="C 4 H 8 Pt 40">
                  <atomArray count="4 8 40" elementType="C H Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">7851.162800000008</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C4H7.40Pt.H/c1-3-4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,12,9,10;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;8/CRV:3.3,4.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:52HHHHHHHH2CCCCPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPt/rB:;;;;;;;s7;s9;s1s2s6s9;s3s4s5s10;;;s8s10;;s13s15s16;s10s13s14s15;s8s15s16;s9s15;s13s15s17s18;s14s18;s15s19s20;s20;s13s17s21;s13s14s18s21s22;s15s16s17s19s21s23;s15s18s20s21s22s23s24;s21s25s26;s22s26;s21s23s27s28;s22s24s28;s21s25s27s29s31;s21s22s26s28s29s30s31s32;s23s27s31;s23s24s28s31s32;s29s31s33s34;s30s32s34;s31s35s36;s32s36;s29s33s37;s29s30s34s37s38;s31s33s35s37s39;s31s32s34s36s37s38s39s40;s37s41s42;s38s42;s37s39s43s44;s38s40s44;s37s41s43s45s47;s37s38s42s44s45s46s47s48;s39s43s47;s39s40s44s47s48;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">400</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">0.1500</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">424.0000</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">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>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE Pt 05Jan2001</array>
                  <array dictRef="cc:atomType" size="3">H C Pt</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">1.000 12.011 195.080</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">1.000 4.000 10.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">8 4 40</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">7.950000000 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 7.950000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 20.152091000</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">5 5 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0. 0. 0.</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="13">1 2 3 4 5 6 7 8 9 10 11 12 13</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="3120">-14.6155 -12.4299 -10.6594 -8.1235 -7.9811 -6.8302 -6.2726 -5.8703 -5.6030 -5.4208 -5.4034 -5.3916 -5.3847 -5.3075 -5.2786 -5.2697 -5.2527 -5.2144 -5.1150 -4.9943 -4.9310 -4.7280 -4.6942 -4.6675 -4.5884 -4.5728 -4.5505 -4.5232 -4.4926 -4.4850 -4.4348 -4.3777 -4.3034 -4.2331 -4.2058 -4.1268 -3.9762 -3.8812 -3.8338 -3.7452 -3.7417 -3.7215 -3.7141 -3.6889 -3.6555 -3.6510 -3.6465 -3.6374 -3.6084 -3.5900 -3.5275 -3.5265 -3.5262 -3.5162 -3.4783 -3.4063 -3.3783 -3.3233 -3.2681 -3.2575 -3.2439 -3.1584 -3.0968 -3.0853 -3.0826 -3.0635 -2.9580 -2.8846 -2.8733 -2.8660 -2.8537 -2.8437 -2.8305 -2.8109 -2.8027 -2.7870 -2.7821 -2.7676 -2.7485 -2.6185 -2.5647 -2.5411 -2.5029 -2.4939 -2.4585 -2.4515 -2.4370 -2.3205 -2.3007 -2.2901 -2.2690 -2.2567 -2.2179 -2.2096 -2.1834 -2.1601 -2.1448 -2.0834 -2.0652 -2.0484 -2.0353 -2.0267 -2.0088 -1.9884 -1.9710 -1.9618 -1.9429 -1.9168 -1.8568 -1.8112 -1.7845 -1.7835 -1.7113 -1.6456 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                  </module>

               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <scalar dataType="xsd:double"
                             dictRef="cc:freeEnergy"
                             units="nonsi:electronvolt">-308.13770022</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="v:noEntropyEnergy"
                             units="nonsi:electronvolt">-308.07404771</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:e0" units="nonsi:electronvolt">-308.11648271</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:deltaEnergy"
                             units="nonsi:electronvolt">0.8605788E-04</scalar>
                     <scalar dataType="xsd:double" dictRef="v:efermi" units="nonsi:electronvolt">1.3336</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.95</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.95</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.152091</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="1.46382"
                        xFract="0.1841283"
                        y3="4.71575"
                        yFract="0.5931761"
                        z3="11.75068"
                        zFract="0.58309979"/>
                  <atom elementType="H"
                        id="a2"
                        x3="0.98651"
                        xFract="0.12408931"
                        y3="6.20121"
                        yFract="0.78002642"
                        z3="10.8690"
                        zFract="0.5393485"/>
                  <atom elementType="H"
                        id="a3"
                        x3="3.67702"
                        xFract="0.46251824"
                        y3="3.54987"
                        yFract="0.44652453"
                        z3="11.28939"
                        zFract="0.56020936"/>
                  <atom elementType="H"
                        id="a4"
                        x3="2.29879"
                        xFract="0.28915597"
                        y3="2.4178"
                        yFract="0.30412579"
                        z3="11.32605"
                        zFract="0.56202853"/>
                  <atom elementType="H"
                        id="a5"
                        x3="3.80648"
                        xFract="0.47880252"
                        y3="1.96375"
                        yFract="0.24701258"
                        z3="10.46575"
                        zFract="0.51933817"/>
                  <atom elementType="H"
                        id="a6"
                        x3="2.71631"
                        xFract="0.34167421"
                        y3="5.78757"
                        yFract="0.72799623"
                        z3="11.05216"
                        zFract="0.54843738"/>
                  <atom elementType="H"
                        id="a7"
                        x3="0.53072"
                        xFract="0.06675723"
                        y3="4.18456"
                        yFract="0.52635975"
                        z3="9.61598"
                        zFract="0.47717033"/>
                  <atom elementType="H"
                        id="a8"
                        x3="5.05925"
                        xFract="0.63638365"
                        y3="5.00719"
                        yFract="0.62983522"
                        z3="9.02065"
                        zFract="0.44762849"/>
                  <atom elementType="C"
                        id="a9"
                        x3="1.66358"
                        xFract="0.20925535"
                        y3="4.59105"
                        yFract="0.57749057"
                        z3="9.58401"
                        zFract="0.4755839"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.57984"
                        xFract="0.32450818"
                        y3="3.41834"
                        yFract="0.42997987"
                        z3="9.43485"
                        zFract="0.46818219"/>
                  <atom elementType="C"
                        id="a11"
                        x3="1.70833"
                        xFract="0.21488428"
                        y3="5.37402"
                        yFract="0.67597736"
                        z3="10.89767"
                        zFract="0.54077118"/>
                  <atom elementType="C"
                        id="a12"
                        x3="3.12765"
                        xFract="0.39341509"
                        y3="2.79487"
                        yFract="0.35155597"
                        z3="10.69927"
                        zFract="0.53092605"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="3.94368"
                        xFract="0.49606038"
                        y3="0.01567"
                        yFract="0.00197107"
                        z3="7.91002"
                        zFract="0.39251609"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="0.02004"
                        xFract="0.00252075"
                        y3="0.02785"
                        yFract="0.00350314"
                        z3="7.89765"
                        zFract="0.39190226"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="4.00724"
                        xFract="0.50405535"
                        y3="3.97344"
                        yFract="0.49980377"
                        z3="8.03666"
                        zFract="0.3988003"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="7.82393"
                        xFract="0.98414214"
                        y3="3.96269"
                        yFract="0.49845157"
                        z3="7.95192"
                        zFract="0.39459528"/>
                  <atom elementType="Pt"
                        id="a17"
                        x3="5.95059"
                        xFract="0.74850189"
                        y3="1.94162"
                        yFract="0.24422893"
                        z3="7.88917"
                        zFract="0.39148146"/>
                  <atom elementType="Pt"
                        id="a18"
                        x3="1.97614"
                        xFract="0.24857107"
                        y3="2.03895"
                        yFract="0.2564717"
                        z3="8.02121"
                        zFract="0.39803363"/>
                  <atom elementType="Pt"
                        id="a19"
                        x3="5.9548"
                        xFract="0.74903145"
                        y3="6.04032"
                        yFract="0.75978868"
                        z3="7.95104"
                        zFract="0.39455161"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="1.97551"
                        xFract="0.24849182"
                        y3="5.95042"
                        yFract="0.7484805"
                        z3="8.00921"
                        zFract="0.39743816"/>
                  <atom elementType="Pt"
                        id="a21"
                        x3="3.95951"
                        xFract="0.49805157"
                        y3="2.01108"
                        yFract="0.25296604"
                        z3="5.95049"
                        zFract="0.29527904"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="0.01805"
                        xFract="0.00227044"
                        y3="2.00879"
                        yFract="0.25267799"
                        z3="5.93537"
                        zFract="0.29452874"/>
                  <atom elementType="Pt"
                        id="a23"
                        x3="3.9670"
                        xFract="0.49899371"
                        y3="5.96757"
                        yFract="0.75063774"
                        z3="5.94485"
                        zFract="0.29499916"/>
                  <atom elementType="Pt"
                        id="a24"
                        x3="0.00699"
                        xFract="0.00087925"
                        y3="5.97197"
                        yFract="0.75119119"
                        z3="5.9489"
                        zFract="0.29520014"/>
                  <atom elementType="Pt"
                        id="a25"
                        x3="5.95795"
                        xFract="0.74942767"
                        y3="0.00819"
                        yFract="0.00103019"
                        z3="5.93257"
                        zFract="0.2943898"/>
                  <atom elementType="Pt"
                        id="a26"
                        x3="1.99143"
                        xFract="0.25049434"
                        y3="0.00105"
                        yFract="0.00013208"
                        z3="5.99035"
                        zFract="0.29725699"/>
                  <atom elementType="Pt"
                        id="a27"
                        x3="5.96266"
                        xFract="0.75002013"
                        y3="3.99215"
                        yFract="0.50215723"
                        z3="5.97096"
                        zFract="0.29629481"/>
                  <atom elementType="Pt"
                        id="a28"
                        x3="1.98778"
                        xFract="0.25003522"
                        y3="4.00023"
                        yFract="0.50317358"
                        z3="5.95537"
                        zFract="0.29552119"/>
                  <atom elementType="Pt"
                        id="a29"
                        x3="3.9709"
                        xFract="0.49948428"
                        y3="0.02145"
                        yFract="0.00269811"
                        z3="3.96392"
                        zFract="0.19670018"/>
                  <atom elementType="Pt"
                        id="a30"
                        x3="0.02176"
                        xFract="0.00273711"
                        y3="0.02192"
                        yFract="0.00275723"
                        z3="3.97369"
                        zFract="0.197185"/>
                  <atom elementType="Pt"
                        id="a31"
                        x3="3.99765"
                        xFract="0.50284906"
                        y3="3.99391"
                        yFract="0.50237862"
                        z3="3.97145"
                        zFract="0.19707384"/>
                  <atom elementType="Pt"
                        id="a32"
                        x3="0.00673"
                        xFract="0.00084654"
                        y3="3.99467"
                        yFract="0.50247421"
                        z3="3.95373"
                        zFract="0.19619453"/>
                  <atom elementType="Pt"
                        id="a33"
                        x3="5.97057"
                        xFract="0.75101509"
                        y3="2.00593"
                        yFract="0.25231824"
                        z3="3.96343"
                        zFract="0.19667587"/>
                  <atom elementType="Pt"
                        id="a34"
                        x3="2.00014"
                        xFract="0.25158994"
                        y3="2.01476"
                        yFract="0.25342893"
                        z3="3.96667"
                        zFract="0.19683665"/>
                  <atom elementType="Pt"
                        id="a35"
                        x3="5.97322"
                        xFract="0.75134843"
                        y3="5.98535"
                        yFract="0.75287421"
                        z3="3.96753"
                        zFract="0.19687932"/>
                  <atom elementType="Pt"
                        id="a36"
                        x3="1.99888"
                        xFract="0.25143145"
                        y3="5.97592"
                        yFract="0.75168805"
                        z3="3.95476"
                        zFract="0.19624564"/>
                  <atom elementType="Pt"
                        id="a37"
                        x3="3.9909"
                        xFract="0.5020"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a38"
                        x3="0.0159"
                        xFract="0.0020"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a39"
                        x3="3.9909"
                        xFract="0.5020"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a40"
                        x3="0.0159"
                        xFract="0.0020"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a41"
                        x3="5.9784"
                        xFract="0.7520"
                        y3="0.02385"
                        yFract="0.0030"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a42"
                        x3="2.0034"
                        xFract="0.2520"
                        y3="0.02385"
                        yFract="0.0030"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a43"
                        x3="5.9784"
                        xFract="0.7520"
                        y3="3.99885"
                        yFract="0.5030"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a44"
                        x3="2.0034"
                        xFract="0.2520"
                        y3="3.99885"
                        yFract="0.5030"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a45"
                        x3="3.9909"
                        xFract="0.5020"
                        y3="0.02385"
                        yFract="0.0030"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a46"
                        x3="0.0159"
                        xFract="0.0020"
                        y3="0.02385"
                        yFract="0.0030"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a47"
                        x3="3.9909"
                        xFract="0.5020"
                        y3="3.99885"
                        yFract="0.5030"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a48"
                        x3="0.0159"
                        xFract="0.0020"
                        y3="3.99885"
                        yFract="0.5030"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a49"
                        x3="5.9784"
                        xFract="0.7520"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a50"
                        x3="2.0034"
                        xFract="0.2520"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a51"
                        x3="5.9784"
                        xFract="0.7520"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a52"
                        x3="2.0034"
                        xFract="0.2520"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="0.0000"
                        zFract="0.0000"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a26" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a26" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a28" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a21 a25" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a34" order="S"/>
                  <bond atomRefs2="a22 a26" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a27" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a33" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a36" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a39" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a40" order="S"/>
                  <bond atomRefs2="a32 a38" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a33 a41" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a37 a50" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a50" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a52" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a42 a50" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a49" order="S"/>
                  <bond atomRefs2="a43 a51" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a45 a49" order="S"/>
                  <bond atomRefs2="a45 a50" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a47 a51" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a48 a50" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
               </bondArray>
               <formula concise="C 4 H 8 Pt 40">
                  <atomArray count="4 8 40" elementType="C H Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">7851.162800000008</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C4H7.40Pt.H/c1-3-4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:11,12,9,10;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;8/CRV:3.3,4.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:52HHHHHHHH2CCCCPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPt/rB:;;;;;;;s7;s9;s1s2s6s9;s3s4s5s10;;;s8s10;;s13s15s16;s10s13s14s15;s8s15s16;s9s15;s13s15s17s18;s14s18;s15s19s20;s20;s13s17s21;s13s14s18s21s22;s15s16s17s19s21s23;s15s18s20s21s22s23s24;s21s25s26;s22s26;s21s23s27s28;s22s24s28;s21s25s27s29s31;s21s22s26s28s29s30s31s32;s23s27s31;s23s24s28s31s32;s29s31s33s34;s30s32s34;s31s35s36;s32s36;s29s33s37;s29s30s34s37s38;s31s33s35s37s39;s31s32s34s36s37s38s39s40;s37s41s42;s38s42;s37s39s43s44;s38s40s44;s37s41s43s45s47;s37s38s42s44s45s46s47s48;s39s43s47;s39s40s44s47s48;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
