<?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">6.2.0</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Jan21 (build Sep 03 2021 22:41:43) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-08-18T21:37:18.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.667241101813827</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.667240973429664</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">23.194183</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="5.77506259"
                        xFract="0.68130565"
                        y3="3.34419746"
                        yFract="0.68180608"
                        z3="10.64312962"
                        zFract="0.43852568"/>
                  <atom elementType="H"
                        id="a2"
                        x3="2.94722632"
                        xFract="0.1816058"
                        y3="3.34209968"
                        yFract="0.68137839"
                        z3="10.47122167"
                        zFract="0.43857859"/>
                  <atom elementType="H"
                        id="a3"
                        x3="4.3672098"
                        xFract="0.68168097"
                        y3="0.889814"
                        yFract="0.18141291"
                        z3="10.47073754"
                        zFract="0.43855608"/>
                  <atom elementType="H"
                        id="a4"
                        x3="1.53818271"
                        xFract="0.18144321"
                        y3="0.89093997"
                        yFract="0.18164247"
                        z3="10.29774529"
                        zFract="0.43856046"/>
                  <atom elementType="O"
                        id="a5"
                        x3="5.03325271"
                        xFract="0.59397134"
                        y3="2.9128634"
                        yFract="0.59386684"
                        z3="10.17687587"
                        zFract="0.42103952"/>
                  <atom elementType="O"
                        id="a6"
                        x3="2.20460923"
                        xFract="0.09391616"
                        y3="2.91285933"
                        yFract="0.59386601"
                        z3="10.00412569"
                        zFract="0.42105505"/>
                  <atom elementType="O"
                        id="a7"
                        x3="3.62436512"
                        xFract="0.59393905"
                        y3="0.46069225"
                        yFract="0.09392471"
                        z3="10.00399343"
                        zFract="0.42104813"/>
                  <atom elementType="O"
                        id="a8"
                        x3="0.79588862"
                        xFract="0.09392363"
                        y3="0.46058733"
                        yFract="0.09390332"
                        z3="9.83088041"
                        zFract="0.42104773"/>
                  <atom elementType="Pt"
                        id="a9"
                        x3="2.86415874"
                        xFract="0.337978"
                        y3="1.65775167"
                        yFract="0.337978"
                        z3="1.39371295"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="4.27302674"
                        xFract="0.337978"
                        y3="4.11020667"
                        yFract="0.837978"
                        z3="1.56680395"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a11"
                        x3="5.69248774"
                        xFract="0.837978"
                        y3="1.65775167"
                        yFract="0.337978"
                        z3="1.56680395"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="7.10135574"
                        xFract="0.837978"
                        y3="4.11020667"
                        yFract="0.837978"
                        z3="1.73989495"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="4.13530936"
                        xFract="0.487977"
                        y3="2.39348327"
                        yFract="0.487977"
                        z3="3.81698516"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="5.54417736"
                        xFract="0.487977"
                        y3="4.84593827"
                        yFract="0.987977"
                        z3="3.99007616"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="6.96363836"
                        xFract="0.987977"
                        y3="2.39348327"
                        yFract="0.487977"
                        z3="3.99007616"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="8.37250636"
                        xFract="0.987977"
                        y3="4.84593827"
                        yFract="0.987977"
                        z3="4.16316716"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a17"
                        x3="1.26339685"
                        xFract="0.14896225"
                        y3="0.73244295"
                        yFract="0.14932852"
                        z3="5.89948552"
                        zFract="0.24989984"/>
                  <atom elementType="Pt"
                        id="a18"
                        x3="2.6721797"
                        xFract="0.1489303"
                        y3="3.18506433"
                        yFract="0.64936244"
                        z3="6.07279499"
                        zFract="0.24990923"/>
                  <atom elementType="Pt"
                        id="a19"
                        x3="4.09159623"
                        xFract="0.648921"
                        y3="0.7326235"
                        yFract="0.14936533"
                        z3="6.07306739"
                        zFract="0.24992107"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="5.50043111"
                        xFract="0.64891621"
                        y3="3.185068"
                        yFract="0.64936319"
                        z3="6.24590851"
                        zFract="0.2499104"/>
                  <atom elementType="Pt"
                        id="a21"
                        x3="3.10801529"
                        xFract="0.36666817"
                        y3="1.79973597"
                        yFract="0.36692538"
                        z3="8.32124095"
                        zFract="0.34781497"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="4.51666096"
                        xFract="0.3666422"
                        y3="4.25205966"
                        yFract="0.86689861"
                        z3="8.49423367"
                        zFract="0.34781152"/>
                  <atom elementType="Pt"
                        id="a23"
                        x3="5.93624471"
                        xFract="0.86664308"
                        y3="1.79980969"
                        yFract="0.36694041"
                        z3="8.49420206"
                        zFract="0.34780952"/>
                  <atom elementType="Pt"
                        id="a24"
                        x3="7.34512083"
                        xFract="0.866683"
                        y3="4.25188573"
                        yFract="0.86686315"
                        z3="8.6671187"
                        zFract="0.34780256"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a22" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
               </bondArray>
               <formula concise="H4O4Pt16">
                  <atomArray count="4 4 16" elementType="H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3185.2455999999997</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.667241101813827</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.667240973429664</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">23.194183</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="5.77506256"
                        xFract="0.68130565"
                        y3="3.34419746"
                        yFract="0.68180608"
                        z3="10.64312962"
                        zFract="0.43852568"/>
                  <atom elementType="H"
                        id="a2"
                        x3="2.94722633"
                        xFract="0.1816058"
                        y3="3.3420997"
                        yFract="0.68137839"
                        z3="10.47122167"
                        zFract="0.43857859"/>
                  <atom elementType="H"
                        id="a3"
                        x3="4.36720979"
                        xFract="0.68168097"
                        y3="0.88981401"
                        yFract="0.18141291"
                        z3="10.47073759"
                        zFract="0.43855608"/>
                  <atom elementType="H"
                        id="a4"
                        x3="1.53818273"
                        xFract="0.18144321"
                        y3="0.89093995"
                        yFract="0.18164247"
                        z3="10.29774525"
                        zFract="0.43856046"/>
                  <atom elementType="O"
                        id="a5"
                        x3="5.03325271"
                        xFract="0.59397134"
                        y3="2.91286343"
                        yFract="0.59386684"
                        z3="10.1768759"
                        zFract="0.42103952"/>
                  <atom elementType="O"
                        id="a6"
                        x3="2.20460923"
                        xFract="0.09391616"
                        y3="2.91285931"
                        yFract="0.593866"
                        z3="10.00412578"
                        zFract="0.42105505"/>
                  <atom elementType="O"
                        id="a7"
                        x3="3.62436511"
                        xFract="0.59393905"
                        y3="0.46069223"
                        yFract="0.09392471"
                        z3="10.00399352"
                        zFract="0.42104813"/>
                  <atom elementType="O"
                        id="a8"
                        x3="0.7958886"
                        xFract="0.09392363"
                        y3="0.46058731"
                        yFract="0.09390332"
                        z3="9.83088041"
                        zFract="0.42104773"/>
                  <atom elementType="Pt"
                        id="a9"
                        x3="2.86415874"
                        xFract="0.337978"
                        y3="1.65775167"
                        yFract="0.337978"
                        z3="1.39371295"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="4.27302674"
                        xFract="0.337978"
                        y3="4.11020667"
                        yFract="0.837978"
                        z3="1.56680395"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a11"
                        x3="5.69248774"
                        xFract="0.837978"
                        y3="1.65775167"
                        yFract="0.337978"
                        z3="1.56680395"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="7.10135574"
                        xFract="0.837978"
                        y3="4.11020667"
                        yFract="0.837978"
                        z3="1.73989495"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="4.13530936"
                        xFract="0.487977"
                        y3="2.39348327"
                        yFract="0.487977"
                        z3="3.81698516"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="5.54417736"
                        xFract="0.487977"
                        y3="4.84593827"
                        yFract="0.987977"
                        z3="3.99007616"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="6.96363836"
                        xFract="0.987977"
                        y3="2.39348327"
                        yFract="0.487977"
                        z3="3.99007616"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="8.37250636"
                        xFract="0.987977"
                        y3="4.84593827"
                        yFract="0.987977"
                        z3="4.16316716"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a17"
                        x3="1.26339682"
                        xFract="0.14896225"
                        y3="0.73244294"
                        yFract="0.14932852"
                        z3="5.89948549"
                        zFract="0.24989984"/>
                  <atom elementType="Pt"
                        id="a18"
                        x3="2.67217973"
                        xFract="0.1489303"
                        y3="3.18506435"
                        yFract="0.64936244"
                        z3="6.0727949"
                        zFract="0.24990923"/>
                  <atom elementType="Pt"
                        id="a19"
                        x3="4.09159624"
                        xFract="0.648921"
                        y3="0.73262352"
                        yFract="0.14936533"
                        z3="6.07306732"
                        zFract="0.24992107"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="5.5004311"
                        xFract="0.64891621"
                        y3="3.18506803"
                        yFract="0.64936319"
                        z3="6.24590858"
                        zFract="0.2499104"/>
                  <atom elementType="Pt"
                        id="a21"
                        x3="3.10801528"
                        xFract="0.36666817"
                        y3="1.79973597"
                        yFract="0.36692538"
                        z3="8.32124099"
                        zFract="0.34781497"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="4.51666097"
                        xFract="0.3666422"
                        y3="4.25205967"
                        yFract="0.86689861"
                        z3="8.49423367"
                        zFract="0.34781152"/>
                  <atom elementType="Pt"
                        id="a23"
                        x3="5.93624473"
                        xFract="0.86664308"
                        y3="1.79980967"
                        yFract="0.36694041"
                        z3="8.49420203"
                        zFract="0.34780952"/>
                  <atom elementType="Pt"
                        id="a24"
                        x3="7.34512083"
                        xFract="0.866683"
                        y3="4.25188571"
                        yFract="0.86686315"
                        z3="8.66711863"
                        zFract="0.34780256"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a22" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
               </bondArray>
               <formula concise="H4O4Pt16">
                  <atomArray count="4 4 16" elementType="H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3185.2455999999997</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</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">187.6240</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</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 O 08Apr2002|PAW_PBE Pt 05Jan2001</array>
                  <array dictRef="cc:atomType" size="3">H O Pt</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">1.000 16.000 195.080</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">1.000 6.000 10.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">4 4 16</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="25">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="24">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="24">-0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="24">0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="24">0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="24">-0.000 0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">0.000</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-102.73276533</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-102.71735407</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-102.72762824</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-9.3025</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3157440E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.667241101813827</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.667240973429664</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">23.194183</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
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                        x3="5.75733"
                        xFract="0.67927653"
                        y3="3.33331"
                        yFract="0.67958637"
                        z3="10.66982"
                        zFract="0.43973983"/>
                  <atom elementType="H"
                        id="a2"
                        x3="2.92925"
                        xFract="0.17948913"
                        y3="3.33165"
                        yFract="0.67924794"
                        z3="10.49729"
                        zFract="0.4397659"/>
                  <atom elementType="H"
                        id="a3"
                        x3="4.34921"
                        xFract="0.67956668"
                        y3="0.8793"
                        yFract="0.17926934"
                        z3="10.4971"
                        zFract="0.43975623"/>
                  <atom elementType="H"
                        id="a4"
                        x3="1.52006"
                        xFract="0.17932507"
                        y3="0.88025"
                        yFract="0.17946303"
                        z3="10.32392"
                        zFract="0.43975311"/>
                  <atom elementType="O"
                        id="a5"
                        x3="5.04452"
                        xFract="0.59507899"
                        y3="2.92157"
                        yFract="0.59564192"
                        z3="10.14328"
                        zFract="0.41954803"/>
                  <atom elementType="O"
                        id="a6"
                        x3="2.2165"
                        xFract="0.09535501"
                        y3="2.91939"
                        yFract="0.59519747"
                        z3="9.9711"
                        zFract="0.41958982"/>
                  <atom elementType="O"
                        id="a7"
                        x3="3.63647"
                        xFract="0.595413"
                        y3="0.46725"
                        yFract="0.09526169"
                        z3="9.97071"
                        zFract="0.41957119"/>
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                        id="a8"
                        x3="0.80716"
                        xFract="0.09513193"
                        y3="0.46831"
                        yFract="0.0954778"
                        z3="9.79761"
                        zFract="0.41957177"/>
                  <atom elementType="Pt"
                        id="a9"
                        x3="2.86416"
                        xFract="0.33797839"
                        y3="1.65775"
                        yFract="0.33797766"
                        z3="1.39371"
                        zFract="0.04999987"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="4.27303"
                        xFract="0.33797824"
                        y3="4.11021"
                        yFract="0.83797868"
                        z3="1.5668"
                        zFract="0.04999982"/>
                  <atom elementType="Pt"
                        id="a11"
                        x3="5.69249"
                        xFract="0.83797857"
                        y3="1.65775"
                        yFract="0.33797766"
                        z3="1.5668"
                        zFract="0.04999983"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="7.10136"
                        xFract="0.83797842"
                        y3="4.11021"
                        yFract="0.83797868"
                        z3="1.73989"
                        zFract="0.04999977"/>
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                        id="a13"
                        x3="4.13531"
                        xFract="0.48797744"
                        y3="2.39348"
                        yFract="0.48797633"
                        z3="3.81699"
                        zFract="0.15000021"/>
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                        id="a14"
                        x3="5.54418"
                        xFract="0.48797729"
                        y3="4.84594"
                        yFract="0.98797735"
                        z3="3.99008"
                        zFract="0.15000016"/>
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                        id="a15"
                        x3="6.96364"
                        xFract="0.98797762"
                        y3="2.39348"
                        yFract="0.48797633"
                        z3="3.99008"
                        zFract="0.15000017"/>
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                        id="a16"
                        x3="8.37251"
                        xFract="0.98797747"
                        y3="4.84594"
                        yFract="0.98797735"
                        z3="4.16317"
                        zFract="0.15000011"/>
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                        id="a17"
                        x3="1.25484"
                        xFract="0.14800942"
                        y3="0.72693"
                        yFract="0.14820455"
                        z3="5.89998"
                        zFract="0.24995216"/>
                  <atom elementType="Pt"
                        id="a18"
                        x3="2.66361"
                        xFract="0.14797534"
                        y3="3.17955"
                        yFract="0.64823819"
                        z3="6.07302"
                        zFract="0.24994996"/>
                  <atom elementType="Pt"
                        id="a19"
                        x3="4.0831"
                        xFract="0.64797488"
                        y3="0.72715"
                        yFract="0.14824941"
                        z3="6.07303"
                        zFract="0.24995023"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="5.49209"
                        xFract="0.64801118"
                        y3="3.17946"
                        yFract="0.64821985"
                        z3="6.24612"
                        zFract="0.24995009"/>
                  <atom elementType="Pt"
                        id="a21"
                        x3="3.12192"
                        xFract="0.36831748"
                        y3="1.8077"
                        yFract="0.36854907"
                        z3="8.32839"
                        zFract="0.34807435"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="4.53064"
                        xFract="0.36826441"
                        y3="4.26042"
                        yFract="0.86860309"
                        z3="8.50118"
                        zFract="0.34806135"/>
                  <atom elementType="Pt"
                        id="a23"
                        x3="5.95017"
                        xFract="0.86828422"
                        y3="1.80789"
                        yFract="0.3685878"
                        z3="8.50145"
                        zFract="0.34807293"/>
                  <atom elementType="Pt"
                        id="a24"
                        x3="7.35923"
                        xFract="0.86834406"
                        y3="4.26009"
                        yFract="0.86853581"
                        z3="8.67451"
                        zFract="0.34807147"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a22" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
               </bondArray>
               <formula concise="H4O4Pt16">
                  <atomArray count="4 4 16" elementType="H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3185.2455999999997</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
