<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-09-18T04:00:37.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">11.223311999</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.417483999</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
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                        x3="1.402914"
                        xFract="0.1250"
                        y3="1.40291403"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a2"
                        x3="4.208742"
                        xFract="0.3750"
                        y3="1.40291403"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a3"
                        x3="7.01457"
                        xFract="0.6250"
                        y3="1.40291403"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a4"
                        x3="9.820398"
                        xFract="0.8750"
                        y3="1.40291403"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
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                        x3="1.402914"
                        xFract="0.1250"
                        y3="4.208742"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a6"
                        x3="4.208742"
                        xFract="0.3750"
                        y3="4.208742"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a7"
                        x3="7.01457"
                        xFract="0.6250"
                        y3="4.208742"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a8"
                        x3="9.820398"
                        xFract="0.8750"
                        y3="4.208742"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a9"
                        x3="1.402914"
                        xFract="0.1250"
                        y3="7.01456997"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="4.208742"
                        xFract="0.3750"
                        y3="7.01456997"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a11"
                        x3="7.01457"
                        xFract="0.6250"
                        y3="7.01456997"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="9.820398"
                        xFract="0.8750"
                        y3="7.01456997"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="2.805828"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="5.611656"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="8.417484"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.80582797"
                        yFract="0.33333333"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a18"
                        x3="2.805828"
                        xFract="0.2500"
                        y3="2.80582797"
                        yFract="0.33333333"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a19"
                        x3="5.611656"
                        xFract="0.5000"
                        y3="2.80582797"
                        yFract="0.33333333"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="8.417484"
                        xFract="0.7500"
                        y3="2.80582797"
                        yFract="0.33333333"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.61165603"
                        yFract="0.66666667"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="2.805828"
                        xFract="0.2500"
                        y3="5.61165603"
                        yFract="0.66666667"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a23"
                        x3="5.611656"
                        xFract="0.5000"
                        y3="5.61165603"
                        yFract="0.66666667"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a24"
                        x3="8.417484"
                        xFract="0.7500"
                        y3="5.61165603"
                        yFract="0.66666667"
                        z3="1.98402"
                        zFract="0.099201"/>
                  <atom elementType="Pt"
                        id="a25"
                        x3="1.43161672"
                        xFract="0.12755742"
                        y3="1.43731873"
                        yFract="0.17075396"
                        z3="3.9629466"
                        zFract="0.19814733"/>
                  <atom elementType="Pt"
                        id="a26"
                        x3="4.19651824"
                        xFract="0.37391086"
                        y3="1.44786449"
                        yFract="0.1720068"
                        z3="3.998639"
                        zFract="0.19993195"/>
                  <atom elementType="Pt"
                        id="a27"
                        x3="6.99313403"
                        xFract="0.62309005"
                        y3="1.40430392"
                        yFract="0.16683179"
                        z3="3.9250142"
                        zFract="0.19625071"/>
                  <atom elementType="Pt"
                        id="a28"
                        x3="9.81462607"
                        xFract="0.87448572"
                        y3="1.39159436"
                        yFract="0.16532189"
                        z3="3.9057732"
                        zFract="0.19528866"/>
                  <atom elementType="Pt"
                        id="a29"
                        x3="1.40507404"
                        xFract="0.12519246"
                        y3="4.1932194"
                        yFract="0.49815591"
                        z3="3.9385108"
                        zFract="0.19692554"/>
                  <atom elementType="Pt"
                        id="a30"
                        x3="4.17744826"
                        xFract="0.37221172"
                        y3="4.1764192"
                        yFract="0.49616004"
                        z3="3.9762016"
                        zFract="0.19881008"/>
                  <atom elementType="Pt"
                        id="a31"
                        x3="6.97407775"
                        xFract="0.62139213"
                        y3="4.1840632"
                        yFract="0.49706815"
                        z3="3.9377556"
                        zFract="0.19688778"/>
                  <atom elementType="Pt"
                        id="a32"
                        x3="9.80325663"
                        xFract="0.8734727"
                        y3="4.20875"
                        yFract="0.50000095"
                        z3="3.9080234"
                        zFract="0.19540117"/>
                  <atom elementType="Pt"
                        id="a33"
                        x3="1.38899047"
                        xFract="0.12375941"
                        y3="7.03020427"
                        yFract="0.83519069"
                        z3="3.8994222"
                        zFract="0.19497111"/>
                  <atom elementType="Pt"
                        id="a34"
                        x3="4.19985965"
                        xFract="0.37420858"
                        y3="7.02578147"
                        yFract="0.83466526"
                        z3="3.8970272"
                        zFract="0.19485136"/>
                  <atom elementType="Pt"
                        id="a35"
                        x3="7.01997964"
                        xFract="0.625482"
                        y3="6.99994131"
                        yFract="0.83159544"
                        z3="3.8979076"
                        zFract="0.19489538"/>
                  <atom elementType="Pt"
                        id="a36"
                        x3="9.81459229"
                        xFract="0.87448271"
                        y3="7.01268976"
                        yFract="0.83310996"
                        z3="3.9124004"
                        zFract="0.19562002"/>
                  <atom elementType="Pt"
                        id="a37"
                        x3="11.21277095"
                        xFract="0.99906079"
                        y3="8.40643967"
                        yFract="0.99868793"
                        z3="5.8405824"
                        zFract="0.29202912"/>
                  <atom elementType="Pt"
                        id="a38"
                        x3="2.81202394"
                        xFract="0.25055206"
                        y3="8.38787104"
                        yFract="0.99648197"
                        z3="5.8744838"
                        zFract="0.29372419"/>
                  <atom elementType="Pt"
                        id="a39"
                        x3="5.62146517"
                        xFract="0.500874"
                        y3="8.36645864"
                        yFract="0.99393817"
                        z3="5.8204928"
                        zFract="0.29102464"/>
                  <atom elementType="Pt"
                        id="a40"
                        x3="8.40647191"
                        xFract="0.74901882"
                        y3="8.40542848"
                        yFract="0.9985678"
                        z3="5.8384692"
                        zFract="0.29192346"/>
                  <atom elementType="Pt"
                        id="a41"
                        x3="11.11152624"
                        xFract="0.99003986"
                        y3="2.80621627"
                        yFract="0.33337946"
                        z3="5.8571968"
                        zFract="0.29285984"/>
                  <atom elementType="Pt"
                        id="a42"
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                        y3="2.90346624"
                        yFract="0.34493279"
                        z3="5.9471298"
                        zFract="0.29735649"/>
                  <atom elementType="Pt"
                        id="a44"
                        x3="8.4339835"
                        xFract="0.75147011"
                        y3="2.78731102"
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                        z3="5.8549474"
                        zFract="0.29274737"/>
                  <atom elementType="Pt"
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                        xFract="0.99789099"
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                        yFract="0.67092752"
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                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a27 a44" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a43" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a39" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a42 a60" order="S"/>
                  <bond atomRefs2="a43 a61" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a61" order="S"/>
                  <bond atomRefs2="a50 a61" order="S"/>
                  <bond atomRefs2="a51 a58" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a60" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C3H8N2Pt48">
                  <atomArray count="3 8 2 48" elementType="C H N Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">9427.789500000008</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">510.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="4">PAW_PBE Pt 04Feb2005|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Pt H C N</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">195.080 1.000 12.011 14.001</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">10.000 1.000 4.000 5.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">48 8 3 2</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-351.29341188</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-351.24749902</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-351.27045545</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">1.6180</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1201245E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">11.223311999</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.417483999</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
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                        x3="1.40291"
                        xFract="0.12499964"
                        y3="1.40291"
                        yFract="0.16666619"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Pt"
                        id="a2"
                        x3="4.20874"
                        xFract="0.37499982"
                        y3="1.40291"
                        yFract="0.16666619"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a3"
                        x3="7.01457"
                        xFract="0.6250"
                        y3="1.40291"
                        yFract="0.16666619"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a5"
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                        yFract="0.49999976"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a6"
                        x3="4.20874"
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                        yFract="0.49999976"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        z3="0.0000"
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                        x3="9.8204"
                        xFract="0.87500018"
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                        yFract="0.49999976"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a9"
                        x3="1.40291"
                        xFract="0.12499964"
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                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a10"
                        x3="4.20874"
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                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        zFract="0.0000"/>
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                        id="a12"
                        x3="9.8204"
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="0.0000"
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                        x3="2.80583"
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                        y3="0.0000"
                        yFract="0.0000"
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                        zFract="0.099201"/>
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                        x3="5.61166"
                        xFract="0.50000036"
                        y3="0.0000"
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                        id="a27"
                        x3="7.0069"
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                        id="a28"
                        x3="9.8268"
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                        id="a29"
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                        y3="4.19555"
                        yFract="0.49843279"
                        z3="3.94004"
                        zFract="0.197002"/>
                  <atom elementType="Pt"
                        id="a30"
                        x3="4.19112"
                        xFract="0.37342988"
                        y3="4.17676"
                        yFract="0.49620053"
                        z3="3.97936"
                        zFract="0.198968"/>
                  <atom elementType="Pt"
                        id="a31"
                        x3="6.98458"
                        xFract="0.62232788"
                        y3="4.18579"
                        yFract="0.49727329"
                        z3="3.93895"
                        zFract="0.1969475"/>
                  <atom elementType="Pt"
                        id="a32"
                        x3="9.81432"
                        xFract="0.87445845"
                        y3="4.21211"
                        yFract="0.50040012"
                        z3="3.90911"
                        zFract="0.1954555"/>
                  <atom elementType="Pt"
                        id="a33"
                        x3="1.39555"
                        xFract="0.12434387"
                        y3="7.03485"
                        yFract="0.8357426"
                        z3="3.90048"
                        zFract="0.195024"/>
                  <atom elementType="Pt"
                        id="a34"
                        x3="4.20442"
                        xFract="0.37461491"
                        y3="7.02403"
                        yFract="0.83445718"
                        z3="3.89399"
                        zFract="0.1946995"/>
                  <atom elementType="Pt"
                        id="a35"
                        x3="7.02757"
                        xFract="0.6261583"
                        y3="7.00137"
                        yFract="0.83176517"
                        z3="3.89435"
                        zFract="0.1947175"/>
                  <atom elementType="Pt"
                        id="a36"
                        x3="9.82389"
                        xFract="0.87531114"
                        y3="7.01728"
                        yFract="0.83365528"
                        z3="3.91262"
                        zFract="0.195631"/>
                  <atom elementType="Pt"
                        id="a37"
                        x3="0.00393"
                        xFract="0.00035016"
                        y3="-0.00249"
                        yFract="-0.00029581"
                        z3="5.84227"
                        zFract="0.2921135"/>
                  <atom elementType="Pt"
                        id="a38"
                        x3="2.83035"
                        xFract="0.25218492"
                        y3="8.39924"
                        yFract="0.99783261"
                        z3="5.87341"
                        zFract="0.2936705"/>
                  <atom elementType="Pt"
                        id="a39"
                        x3="5.63043"
                        xFract="0.50167277"
                        y3="8.36546"
                        yFract="0.99381953"
                        z3="5.8096"
                        zFract="0.29048"/>
                  <atom elementType="Pt"
                        id="a40"
                        x3="8.41862"
                        xFract="0.75010122"
                        y3="-0.00502"
                        yFract="-0.00059638"
                        z3="5.83555"
                        zFract="0.2917775"/>
                  <atom elementType="Pt"
                        id="a41"
                        x3="11.14838"
                        xFract="0.99332354"
                        y3="2.82105"
                        yFract="0.33514171"
                        z3="5.86359"
                        zFract="0.2931795"/>
                  <atom elementType="Pt"
                        id="a42"
                        x3="2.60201"
                        xFract="0.23183976"
                        y3="2.74558"
                        yFract="0.32617585"
                        z3="6.08243"
                        zFract="0.3041215"/>
                  <atom elementType="Pt"
                        id="a43"
                        x3="5.76614"
                        xFract="0.51376456"
                        y3="2.91485"
                        yFract="0.34628518"
                        z3="5.95349"
                        zFract="0.2976745"/>
                  <atom elementType="Pt"
                        id="a44"
                        x3="8.46168"
                        xFract="0.75393788"
                        y3="2.79722"
                        yFract="0.3323107"
                        z3="5.86054"
                        zFract="0.293027"/>
                  <atom elementType="Pt"
                        id="a45"
                        x3="11.21403"
                        xFract="0.99917297"
                        y3="5.62215"
                        yFract="0.66791336"
                        z3="5.83354"
                        zFract="0.291677"/>
                  <atom elementType="Pt"
                        id="a46"
                        x3="2.79588"
                        xFract="0.24911363"
                        y3="5.66348"
                        yFract="0.67282338"
                        z3="5.80844"
                        zFract="0.290422"/>
                  <atom elementType="Pt"
                        id="a47"
                        x3="5.60054"
                        xFract="0.49900956"
                        y3="5.65309"
                        yFract="0.67158904"
                        z3="5.84854"
                        zFract="0.292427"/>
                  <atom elementType="Pt"
                        id="a48"
                        x3="8.41449"
                        xFract="0.74973323"
                        y3="5.61692"
                        yFract="0.66729203"
                        z3="5.83388"
                        zFract="0.291694"/>
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                        id="a49"
                        x3="4.62642"
                        xFract="0.41221522"
                        y3="1.39143"
                        yFract="0.16530236"
                        z3="7.6108"
                        zFract="0.38054"/>
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                        id="a50"
                        x3="5.90425"
                        xFract="0.5260702"
                        y3="2.06091"
                        yFract="0.24483682"
                        z3="8.51758"
                        zFract="0.425879"/>
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                        id="a51"
                        x3="4.43793"
                        xFract="0.39542071"
                        y3="4.94352"
                        yFract="0.58729188"
                        z3="9.68614"
                        zFract="0.484307"/>
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                        id="a52"
                        x3="5.69217"
                        xFract="0.50717382"
                        y3="3.70844"
                        yFract="0.44056395"
                        z3="9.98332"
                        zFract="0.499166"/>
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                        id="a53"
                        x3="4.06388"
                        xFract="0.36209276"
                        y3="3.53469"
                        yFract="0.41992239"
                        z3="10.70378"
                        zFract="0.535189"/>
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                        id="a54"
                        x3="1.01577"
                        xFract="0.09050537"
                        y3="3.90264"
                        yFract="0.46363498"
                        z3="8.31941"
                        zFract="0.4159705"/>
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                        id="a55"
                        x3="2.22995"
                        xFract="0.19868912"
                        y3="5.17316"
                        yFract="0.61457319"
                        z3="8.58685"
                        zFract="0.4293425"/>
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                        id="a56"
                        x3="2.00202"
                        xFract="0.1783805"
                        y3="3.87762"
                        yFract="0.46066259"
                        z3="9.82535"
                        zFract="0.4912675"/>
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                        x3="4.16248"
                        xFract="0.37087804"
                        y3="3.12964"
                        yFract="0.37180231"
                        z3="8.5899"
                        zFract="0.429495"/>
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                        x3="4.61956"
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                        y3="3.86579"
                        yFract="0.45925718"
                        z3="9.81157"
                        zFract="0.4905785"/>
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                        x3="2.00499"
                        xFract="0.17864513"
                        y3="4.10351"
                        yFract="0.4874984"
                        z3="8.7466"
                        zFract="0.43733"/>
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                        x3="2.9943"
                        xFract="0.2667929"
                        y3="3.27961"
                        yFract="0.3896188"
                        z3="8.0406"
                        zFract="0.40203"/>
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                        x3="5.07416"
                        xFract="0.45210897"
                        y3="2.26775"
                        yFract="0.26940948"
                        z3="7.96135"
                        zFract="0.3980675"/>
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                  <bond atomRefs2="a3 a4" order="S"/>
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                  <bond atomRefs2="a3 a7" order="S"/>
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                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a22" order="S"/>
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                  <bond atomRefs2="a6 a22" order="S"/>
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                  <bond atomRefs2="a6 a23" order="S"/>
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                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a24" order="S"/>
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                  <bond atomRefs2="a7 a20" order="S"/>
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                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
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                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
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                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
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                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
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                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
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                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a29" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a29" order="S"/>
                  <bond atomRefs2="a18 a30" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a26" order="S"/>
                  <bond atomRefs2="a19 a30" order="S"/>
                  <bond atomRefs2="a20 a27" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a22 a33" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a37" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a27 a44" order="S"/>
                  <bond atomRefs2="a27 a40" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a43" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a39" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a42 a60" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a61" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a61" order="S"/>
                  <bond atomRefs2="a50 a61" order="S"/>
                  <bond atomRefs2="a51 a58" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a57 a60" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C3H8N2Pt48">
                  <atomArray count="3 8 2 48" elementType="C H N Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">9427.789500000008</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
