<?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>
                  <atom elementType="H"
                        id="a1"
                        x3="1.08551248"
                        xFract="0.13654245"
                        y3="0.92635562"
                        yFract="0.11652272"
                        z3="8.97886108"
                        zFract="0.44555481"/>
                  <atom elementType="H"
                        id="a2"
                        x3="1.0153736"
                        xFract="0.12771995"
                        y3="4.97660166"
                        yFract="0.62598763"
                        z3="9.03411005"
                        zFract="0.44829641"/>
                  <atom elementType="H"
                        id="a3"
                        x3="2.99247039"
                        xFract="0.37641137"
                        y3="7.02792847"
                        yFract="0.88401616"
                        z3="9.02028531"
                        zFract="0.44761039"/>
                  <atom elementType="H"
                        id="a4"
                        x3="5.2480137"
                        xFract="0.66012751"
                        y3="1.4107531"
                        yFract="0.17745322"
                        z3="9.51701279"
                        zFract="0.47225932"/>
                  <atom elementType="H"
                        id="a5"
                        x3="6.61832825"
                        xFract="0.83249412"
                        y3="4.23559122"
                        yFract="0.53277877"
                        z3="10.25091205"
                        zFract="0.50867734"/>
                  <atom elementType="H"
                        id="a6"
                        x3="6.61556849"
                        xFract="0.83214698"
                        y3="2.73705422"
                        yFract="0.34428355"
                        z3="11.15783171"
                        zFract="0.55368109"/>
                  <atom elementType="H"
                        id="a7"
                        x3="3.05796098"
                        xFract="0.38464918"
                        y3="1.92059423"
                        yFract="0.24158418"
                        z3="9.82876624"
                        zFract="0.48772935"/>
                  <atom elementType="H"
                        id="a8"
                        x3="7.4622714"
                        xFract="0.93865049"
                        y3="2.6896909"
                        yFract="0.3383259"
                        z3="8.87538755"
                        zFract="0.44042018"/>
                  <atom elementType="H"
                        id="a9"
                        x3="4.82996113"
                        xFract="0.60754228"
                        y3="5.34251345"
                        yFract="0.67201427"
                        z3="9.01417903"
                        zFract="0.44730738"/>
                  <atom elementType="H"
                        id="a10"
                        x3="6.99095286"
                        xFract="0.87936514"
                        y3="6.91937599"
                        yFract="0.87036176"
                        z3="9.05521574"
                        zFract="0.44934373"/>
                  <atom elementType="H"
                        id="a11"
                        x3="4.60803155"
                        xFract="0.57962661"
                        y3="5.04855329"
                        yFract="0.63503815"
                        z3="11.57782587"
                        zFract="0.57452231"/>
                  <atom elementType="H"
                        id="a12"
                        x3="4.59430254"
                        xFract="0.57789969"
                        y3="3.51030898"
                        yFract="0.4415483"
                        z3="12.48343867"
                        zFract="0.61946121"/>
                  <atom elementType="H"
                        id="a13"
                        x3="5.96565647"
                        xFract="0.75039704"
                        y3="4.63765977"
                        yFract="0.58335343"
                        z3="12.66277435"
                        zFract="0.62836032"/>
                  <atom elementType="H"
                        id="a14"
                        x3="3.18402453"
                        xFract="0.40050623"
                        y3="3.48680871"
                        yFract="0.43859229"
                        z3="10.79429887"
                        zFract="0.53564163"/>
                  <atom elementType="C"
                        id="a15"
                        x3="3.60594629"
                        xFract="0.45357815"
                        y3="2.85890522"
                        yFract="0.35961072"
                        z3="10.00664049"
                        zFract="0.49655594"/>
                  <atom elementType="C"
                        id="a16"
                        x3="5.01411922"
                        xFract="0.63070682"
                        y3="2.88674247"
                        yFract="0.36311226"
                        z3="9.77546074"
                        zFract="0.48508419"/>
                  <atom elementType="C"
                        id="a17"
                        x3="5.95124526"
                        xFract="0.74858431"
                        y3="3.53585488"
                        yFract="0.44476162"
                        z3="10.78260361"
                        zFract="0.53506128"/>
                  <atom elementType="C"
                        id="a18"
                        x3="5.23938406"
                        xFract="0.65904202"
                        y3="4.2240708"
                        yFract="0.53132966"
                        z3="11.9462595"
                        zFract="0.59280496"/>
                  <atom elementType="Pt"
                        id="a19"
                        x3="0.02594928"
                        xFract="0.00326406"
                        y3="7.91917912"
                        yFract="0.99612316"
                        z3="7.98741347"
                        zFract="0.39635656"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="3.99649783"
                        xFract="0.50270413"
                        y3="0.00025488"
                        yFract="0.00003206"
                        z3="7.93375127"
                        zFract="0.3936937"/>
                  <atom elementType="Pt"
                        id="a21"
                        x3="0.06028644"
                        xFract="0.0075832"
                        y3="4.00399691"
                        yFract="0.50364741"
                        z3="7.93309733"
                        zFract="0.39366125"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="3.96064397"
                        xFract="0.49819421"
                        y3="4.01142062"
                        yFract="0.50458121"
                        z3="8.19402137"
                        zFract="0.40660899"/>
                  <atom elementType="Pt"
                        id="a23"
                        x3="1.98200361"
                        xFract="0.24930863"
                        y3="1.96452148"
                        yFract="0.24710962"
                        z3="7.88134777"
                        zFract="0.3910933"/>
                  <atom elementType="Pt"
                        id="a24"
                        x3="6.01822902"
                        xFract="0.75700994"
                        y3="1.95248812"
                        yFract="0.24559599"
                        z3="8.14373847"
                        zFract="0.40411382"/>
                  <atom elementType="Pt"
                        id="a25"
                        x3="2.01177747"
                        xFract="0.25305377"
                        y3="5.98156633"
                        yFract="0.75239828"
                        z3="7.9973297"
                        zFract="0.39684863"/>
                  <atom elementType="Pt"
                        id="a26"
                        x3="5.99843225"
                        xFract="0.75451978"
                        y3="5.99562065"
                        yFract="0.75416612"
                        z3="7.9595802"
                        zFract="0.3949754"/>
                  <atom elementType="Pt"
                        id="a27"
                        x3="7.91045137"
                        xFract="0.99502533"
                        y3="1.99683052"
                        yFract="0.25117365"
                        z3="5.96570753"
                        zFract="0.29603417"/>
                  <atom elementType="Pt"
                        id="a28"
                        x3="4.02423928"
                        xFract="0.50619362"
                        y3="2.02412326"
                        yFract="0.2546067"
                        z3="5.98797882"
                        zFract="0.29713933"/>
                  <atom elementType="Pt"
                        id="a29"
                        x3="0.01712525"
                        xFract="0.00215412"
                        y3="5.96684619"
                        yFract="0.75054669"
                        z3="5.93965471"
                        zFract="0.29474136"/>
                  <atom elementType="Pt"
                        id="a30"
                        x3="4.006762"
                        xFract="0.50399522"
                        y3="5.9114106"
                        yFract="0.74357366"
                        z3="5.98496185"
                        zFract="0.29698962"/>
                  <atom elementType="Pt"
                        id="a31"
                        x3="2.00910802"
                        xFract="0.25271799"
                        y3="7.94166753"
                        yFract="0.99895189"
                        z3="5.92321564"
                        zFract="0.29392561"/>
                  <atom elementType="Pt"
                        id="a32"
                        x3="5.96926879"
                        xFract="0.75085142"
                        y3="0.02662582"
                        yFract="0.00334916"
                        z3="5.95513776"
                        zFract="0.29550967"/>
                  <atom elementType="Pt"
                        id="a33"
                        x3="2.04241773"
                        xFract="0.25690789"
                        y3="3.98345331"
                        yFract="0.50106331"
                        z3="5.95469905"
                        zFract="0.2954879"/>
                  <atom elementType="Pt"
                        id="a34"
                        x3="5.96869043"
                        xFract="0.75077867"
                        y3="3.97316283"
                        yFract="0.49976891"
                        z3="5.98918492"
                        zFract="0.29719918"/>
                  <atom elementType="Pt"
                        id="a35"
                        x3="0.01364347"
                        xFract="0.00171616"
                        y3="0.02061411"
                        yFract="0.00259297"
                        z3="3.96420367"
                        zFract="0.19671426"/>
                  <atom elementType="Pt"
                        id="a36"
                        x3="3.99618055"
                        xFract="0.50266422"
                        y3="0.00982366"
                        yFract="0.00123568"
                        z3="3.96990731"
                        zFract="0.19699729"/>
                  <atom elementType="Pt"
                        id="a37"
                        x3="0.01921777"
                        xFract="0.00241733"
                        y3="3.99022051"
                        yFract="0.50191453"
                        z3="3.96362651"
                        zFract="0.19668562"/>
                  <atom elementType="Pt"
                        id="a38"
                        x3="3.99869283"
                        xFract="0.50298023"
                        y3="3.98314883"
                        yFract="0.50102501"
                        z3="3.96182169"
                        zFract="0.19659606"/>
                  <atom elementType="Pt"
                        id="a39"
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                        xFract="0.25161701"
                        y3="2.00266256"
                        yFract="0.25190724"
                        z3="3.97419387"
                        zFract="0.19721"/>
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                        id="a40"
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                  <atom elementType="Pt"
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                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a50" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a49" order="S"/>
                  <bond atomRefs2="a43 a51" order="S"/>
                  <bond atomRefs2="a43 a55" order="S"/>
                  <bond atomRefs2="a43 a53" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a44 a49" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a44 a56" order="S"/>
                  <bond atomRefs2="a44 a55" order="S"/>
                  <bond atomRefs2="a44 a54" order="S"/>
                  <bond atomRefs2="a45 a49" order="S"/>
                  <bond atomRefs2="a45 a57" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a46 a58" order="S"/>
                  <bond atomRefs2="a46 a54" order="S"/>
                  <bond atomRefs2="a46 a57" order="S"/>
                  <bond atomRefs2="a47 a55" order="S"/>
                  <bond atomRefs2="a47 a51" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a49 a54" order="S"/>
                  <bond atomRefs2="a49 a55" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a50 a58" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a57" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
               </bondArray>
               <formula concise="C 4 H 14 Pt 40">
                  <atomArray count="4 14 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.7H/c1-3-4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,4H2,2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:15,18,16,17;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;53;54;55;56;57;58;1;2;3;4;8;9;10/CRV:1.3,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:58HH2HHHHHHH2HHHHHCCCCPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPt/rB:;;;;;;;;;;;;;s7s14;s15;s5s6s16;s11s12s13s17;;;s2;s9s15s16;s1s20s21s22;s4s8s16s20s22;s2s3s19s21s22;s9s10s22;s24;s20s23s24;s19s21s25;s22s25s26;s19s25s29s30;s20s24s27s28;s21s22s23s25s28s29s30;s26s27s28s30;;s28s32;s29s33;s28s30s33s34;s28s33s35s36s37s38;s27s28s32s34s36s38;s29s30s31s33s37s38;s30s34s38;s35s37s39;s36s38s39s40;s37s41;s38s41s42;s35s36s39s43s44;s36s40s44;s37s38s39s41s43s44s45s46;s38s40s42s44s46;s43s47;s44s47s48;s43s45s49;s44s46s49s50;s43s44s47s49s51s52s53s54;s44s48s50s52s54;s45s46s49s53s54;s46s50s54;/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-06</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E+00</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">5</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.0100</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">430.0000</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">14 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="3328">-14.8257 -12.6523 -10.4047 -8.1701 -7.9057 -7.1935 -6.8742 -6.0129 -5.8771 -5.7087 -5.5055 -5.4104 -5.3830 -5.2216 -5.1991 -5.1882 -5.1051 -5.0900 -5.0786 -5.0367 -4.9609 -4.8992 -4.8846 -4.7823 -4.7637 -4.7013 -4.5612 -4.4989 -4.4809 -4.4210 -4.3976 -4.3422 -4.3167 -4.2617 -4.2187 -4.1523 -4.1330 -4.0840 -4.0533 -4.0103 -3.9623 -3.7314 -3.6931 -3.6065 -3.5724 -3.5483 -3.5296 -3.5126 -3.4904 -3.4642 -3.4532 -3.4466 -3.4183 -3.3906 -3.3573 -3.3337 -3.3288 -3.3218 -3.2797 -3.2074 -3.1491 -3.0770 -3.0668 -3.0322 -2.9913 -2.9777 -2.9267 -2.9061 -2.8983 -2.8538 -2.8001 -2.7561 -2.7402 -2.7178 -2.6897 -2.6837 -2.6701 -2.6545 -2.6469 -2.6292 -2.6252 -2.6160 -2.6110 -2.5805 -2.4656 -2.4194 -2.4001 -2.3322 -2.3217 -2.2938 -2.2604 -2.2411 -2.2236 -2.1862 -2.1535 -2.1047 -2.0976 -2.0789 -2.0593 -2.0516 -1.9892 -1.9290 -1.8738 -1.8555 -1.8534 -1.8391 -1.8327 -1.8253 -1.7993 -1.7926 -1.7655 -1.7571 -1.7379 -1.6529 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               <module id="vasp.doscar">
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                        y3="2.00744"
                        yFract="0.25250818"
                        z3="3.96178"
                        zFract="0.19659399"/>
                  <atom elementType="Pt"
                        id="a41"
                        x3="2.01576"
                        xFract="0.25355472"
                        y3="5.97329"
                        yFract="0.75135723"
                        z3="3.96421"
                        zFract="0.19671457"/>
                  <atom elementType="Pt"
                        id="a42"
                        x3="5.97991"
                        xFract="0.75218994"
                        y3="5.9767"
                        yFract="0.75178616"
                        z3="3.96461"
                        zFract="0.19673442"/>
                  <atom elementType="Pt"
                        id="a43"
                        x3="0.0159"
                        xFract="0.0020"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a44"
                        x3="3.9909"
                        xFract="0.5020"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a45"
                        x3="0.0159"
                        xFract="0.0020"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a46"
                        x3="3.9909"
                        xFract="0.5020"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a47"
                        x3="2.0034"
                        xFract="0.2520"
                        y3="0.02385"
                        yFract="0.0030"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a48"
                        x3="5.9784"
                        xFract="0.7520"
                        y3="0.02385"
                        yFract="0.0030"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a49"
                        x3="2.0034"
                        xFract="0.2520"
                        y3="3.99885"
                        yFract="0.5030"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a50"
                        x3="5.9784"
                        xFract="0.7520"
                        y3="3.99885"
                        yFract="0.5030"
                        z3="1.9875"
                        zFract="0.098625"/>
                  <atom elementType="Pt"
                        id="a51"
                        x3="0.0159"
                        xFract="0.0020"
                        y3="0.02385"
                        yFract="0.0030"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a52"
                        x3="3.9909"
                        xFract="0.5020"
                        y3="0.02385"
                        yFract="0.0030"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a53"
                        x3="0.0159"
                        xFract="0.0020"
                        y3="3.99885"
                        yFract="0.5030"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a54"
                        x3="3.9909"
                        xFract="0.5020"
                        y3="3.99885"
                        yFract="0.5030"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a55"
                        x3="2.0034"
                        xFract="0.2520"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a56"
                        x3="5.9784"
                        xFract="0.7520"
                        y3="2.01135"
                        yFract="0.2530"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a57"
                        x3="2.0034"
                        xFract="0.2520"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a58"
                        x3="5.9784"
                        xFract="0.7520"
                        y3="5.98635"
                        yFract="0.7530"
                        z3="0.0000"
                        zFract="0.0000"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a2 a25" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a24" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a25" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a21 a25" order="S"/>
                  <bond atomRefs2="a22 a33" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a26" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a27 a40" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a36" order="S"/>
                  <bond atomRefs2="a28 a38" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a33" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a41" order="S"/>
                  <bond atomRefs2="a32 a40" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a33 a41" order="S"/>
                  <bond atomRefs2="a33 a39" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a40" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a50" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a50" order="S"/>
                  <bond atomRefs2="a43 a51" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a55" order="S"/>
                  <bond atomRefs2="a43 a49" order="S"/>
                  <bond atomRefs2="a43 a53" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a55" order="S"/>
                  <bond atomRefs2="a44 a56" order="S"/>
                  <bond atomRefs2="a44 a54" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a44 a49" order="S"/>
                  <bond atomRefs2="a45 a57" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a45 a49" order="S"/>
                  <bond atomRefs2="a46 a58" order="S"/>
                  <bond atomRefs2="a46 a57" order="S"/>
                  <bond atomRefs2="a46 a54" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
                  <bond atomRefs2="a47 a55" order="S"/>
                  <bond atomRefs2="a47 a51" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a49 a53" order="S"/>
                  <bond atomRefs2="a49 a54" order="S"/>
                  <bond atomRefs2="a49 a55" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a58" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a56" order="S"/>
                  <bond atomRefs2="a53 a57" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
               </bondArray>
               <formula concise="C 4 H 14 Pt 40">
                  <atomArray count="4 14 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.7H/c1-3-4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,4H2,2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:15,18,16,17;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;53;54;55;56;57;58;1;2;3;4;8;9;10/CRV:1.3,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:58HH2HHHHHHH2HHHHHCCCCPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPt/rB:;;;;;;;;;;;;;s7s14;s15;s5s6s16;s11s12s13s17;;;s2;s9s15s16;s1s20s21s22;s4s8s16s20s22;s2s3s19s21s22;s9s10s22;s24;s20s23s24;s19s21s25;s22s25s26;s19s25s29s30;s20s24s27s28;s21s22s23s25s28s29s30;s26s27s28s30;;s28s32;s29s33;s28s30s33s34;s28s33s35s36s37s38;s27s28s32s34s36s38;s29s30s31s33s37s38;s30s34s38;s35s37s39;s36s38s39s40;s37s41;s38s41s42;s35s36s39s43s44;s36s40s44;s37s38s39s41s43s44s45s46;s38s40s42s44s46;s43s47;s44s47s48;s43s45s49;s44s46s49s50;s43s44s47s49s51s52s53s54;s44s48s50s52s54;s45s46s49s53s54;s46s50s54;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
