<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build 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">2018-02-02T17:04:49.000+01:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.43</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.4299999219551935</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">18.063209076</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="3.81705997"
                        xFract="0.01556749"
                        y3="6.41100154"
                        yFract="0.99633742"
                        z3="2.89011345"
                        zFract="0.1600"/>
                  <atom elementType="C"
                        id="a2"
                        x3="1.32321085"
                        xFract="0.12404142"
                        y3="0.69556233"
                        yFract="0.10809774"
                        z3="2.80596924"
                        zFract="0.15534168"/>
                  <atom elementType="C"
                        id="a3"
                        x3="1.32735743"
                        xFract="0.01303121"
                        y3="2.13135004"
                        yFract="0.33123433"
                        z3="2.79262956"
                        zFract="0.15460318"/>
                  <atom elementType="C"
                        id="a4"
                        x3="6.27396232"
                        xFract="0.34603092"
                        y3="6.41370193"
                        yFract="0.99675709"
                        z3="2.77137188"
                        zFract="0.15342633"/>
                  <atom elementType="C"
                        id="a5"
                        x3="2.5607897"
                        xFract="0.12324126"
                        y3="2.8494091"
                        yFract="0.4428283"
                        z3="2.78321159"
                        zFract="0.15408179"/>
                  <atom elementType="C"
                        id="a6"
                        x3="2.559159"
                        xFract="0.01193302"
                        y3="4.27902567"
                        yFract="0.66500583"
                        z3="2.83014667"
                        zFract="0.15668017"/>
                  <atom elementType="C"
                        id="a7"
                        x3="3.80062599"
                        xFract="0.12376977"
                        y3="4.99006707"
                        yFract="0.77550918"
                        z3="2.84818531"
                        zFract="0.15767881"/>
                  <atom elementType="C"
                        id="a8"
                        x3="3.78832983"
                        xFract="0.45594425"
                        y3="0.69397048"
                        yFract="0.10785035"
                        z3="2.77619927"
                        zFract="0.15369358"/>
                  <atom elementType="C"
                        id="a9"
                        x3="3.7842817"
                        xFract="0.34384239"
                        y3="2.12961316"
                        yFract="0.3309644"
                        z3="2.77479449"
                        zFract="0.15361581"/>
                  <atom elementType="C"
                        id="a10"
                        x3="8.7370022"
                        xFract="0.67740722"
                        y3="6.41528497"
                        yFract="0.99700311"
                        z3="2.86723405"
                        zFract="0.15873337"/>
                  <atom elementType="C"
                        id="a11"
                        x3="5.02385164"
                        xFract="0.45500674"
                        y3="2.84602194"
                        yFract="0.4423019"
                        z3="2.85313264"
                        zFract="0.1579527"/>
                  <atom elementType="C"
                        id="a12"
                        x3="5.0356838"
                        xFract="0.34527841"
                        y3="4.2786248"
                        yFract="0.66494353"
                        z3="2.81837162"
                        zFract="0.15602829"/>
                  <atom elementType="C"
                        id="a13"
                        x3="6.27532268"
                        xFract="0.79036229"
                        y3="0.69789673"
                        yFract="0.10846053"
                        z3="2.99222026"
                        zFract="0.16565275"/>
                  <atom elementType="C"
                        id="a14"
                        x3="6.2735958"
                        xFract="0.45699007"
                        y3="4.98511856"
                        yFract="0.77474013"
                        z3="2.7939321"
                        zFract="0.15467529"/>
                  <atom elementType="C"
                        id="a15"
                        x3="6.28552909"
                        xFract="0.67963245"
                        y3="2.14057226"
                        yFract="0.33266756"
                        z3="2.87510744"
                        zFract="0.15916925"/>
                  <atom elementType="C"
                        id="a16"
                        x3="7.53562313"
                        xFract="0.79237293"
                        y3="2.85492591"
                        yFract="0.44368567"
                        z3="2.81699503"
                        zFract="0.15595208"/>
                  <atom elementType="C"
                        id="a17"
                        x3="7.51704984"
                        xFract="0.67923582"
                        y3="4.27873303"
                        yFract="0.66496035"
                        z3="2.80330926"
                        zFract="0.15519442"/>
                  <atom elementType="C"
                        id="a18"
                        x3="8.75120111"
                        xFract="0.78975563"
                        y3="4.99405109"
                        yFract="0.77612834"
                        z3="2.83543702"
                        zFract="0.15697305"/>
                  <atom elementType="F"
                        id="a19"
                        x3="6.41747125"
                        xFract="0.6051136"
                        y3="3.3280961"
                        yFract="0.51722132"
                        z3="6.66187787"
                        zFract="0.36880921"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="6.91126883"
                        xFract="0.71447301"
                        y3="2.77601731"
                        yFract="0.43142244"
                        z3="4.87160197"
                        zFract="0.26969748"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a7" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
               </bondArray>
               <formula concise="C18FPt">
                  <atomArray count="18 1 1" elementType="C F Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">430.26900319999993</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C18.FH.Pt/c1-7-15-9-11(3)18-14(6)16(8-2)10-12(4)17(18)13(15)5;;/h;1H;/q;;+1/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:2,10,1,13,8,4,3,18,6,16,7,15,9,14,5,17,11,12;19;20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18);;/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.2,8.2,9.2,10.2,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3;;/rA:20C1C1C2C1C3C2C3C1C3C1C3C3C1C3CC3C3C2FPt/rB:;s2;;s3;s5;s1s6;;s5s8;;s9;s7s11;;s4s12;s11s13;s15;s14s16;s10s17;;s15s16s19;/rC:;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">0.1E-02</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">1</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">89.0000</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">0.02</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">--</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE C 08Apr2002|PAW_PBE F 08Apr2002|PAW_PBE Pt 05Jan2001</array>
                  <array dictRef="cc:atomType" size="3">C F Pt</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">12.011 18.998 195.080</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">4.000 7.000 10.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">18 1 1</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">7.430000000 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">3.715000000 6.434568660 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 18.063209076</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">2 2 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="4">1 2 3 4</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="224">-24.7777 -22.9854 -20.6244 -20.4283 -20.4154 -20.3859 -20.3462 -20.3247 -16.2370 -16.1294 -16.1031 -16.0948 -14.0551 -14.0006 -13.3234 -13.2375 -13.1817 -13.1220 -13.1137 -13.0881 -11.2462 -9.6177 -9.3687 -9.3335 -9.2980 -9.2913 -9.2786 -8.9193 -8.6247 -8.2220 -8.1300 -8.0217 -7.9947 -7.4132 -6.6735 -6.5838 -6.5250 -6.4989 -4.8174 -4.6364 -4.5863 -4.3582 -3.9777 -3.3752 -3.2921 -3.1724 -2.5699 -0.0405 0.6688 1.2996 1.3348 1.3658 1.4300 1.4501 1.6335 1.9730 -24.7773 -22.3950 -22.2809 -21.0846 -21.0156 -18.7288 -18.5827 -18.5428 -18.5337 -17.8160 -16.7007 -15.0321 -14.9483 -14.8781 -14.8727 -11.7914 -11.6251 -11.5479 -11.4835 -11.3505 -11.3224 -10.6894 -10.2778 -9.9505 -9.9353 -9.9267 -9.1038 -9.0299 -8.9241 -8.8166 -7.9772 -7.6928 -7.6248 -7.1236 -6.6323 -6.3773 -6.2537 -6.1178 -6.0649 -5.9176 -4.4405 -4.3041 -3.9863 -3.9645 -3.8415 -1.5746 -1.2771 -0.9630 -0.8993 -0.5984 0.7950 0.8792 1.6590 1.9279 2.2818 2.5766 -24.7773 -22.4004 -22.2736 -21.0842 -21.0206 -18.7150 -18.5871 -18.5535 -18.5282 -17.8091 -16.7081 -15.0399 -14.9483 -14.8844 -14.8717 -11.7434 -11.6291 -11.5421 -11.4920 -11.3610 -11.3178 -10.6822 -10.2845 -9.9741 -9.9405 -9.9219 -9.1012 -9.0375 -8.9222 -8.8128 -7.9987 -7.6933 -7.5937 -7.1545 -6.6273 -6.3674 -6.2305 -6.1196 -6.0830 -5.9192 -4.3761 -4.3460 -4.0517 -3.9412 -3.8105 -1.5854 -1.2763 -0.9687 -0.9057 -0.6022 0.8323 0.8600 1.6696 1.9114 2.3273 2.5820 -24.7773 -22.3894 -22.2869 -21.0711 -21.0320 -18.6783 -18.6166 -18.5601 -18.5300 -17.7864 -16.7529 -15.0024 -14.9344 -14.8988 -14.8884 -11.6680 -11.6128 -11.5433 -11.5287 -11.3364 -11.2910 -10.7681 -10.2920 -10.0103 -9.9528 -9.9353 -9.2015 -8.9044 -8.8986 -8.8193 -7.8023 -7.7410 -7.6881 -7.3034 -6.5493 -6.3852 -6.3121 -6.0905 -6.0609 -5.8839 -4.4594 -4.2379 -4.1068 -3.8832 -3.6642 -1.9647 -1.0380 -0.9793 -0.8900 -0.6409 0.8369 0.8908 1.7531 1.9216 2.3435 2.6018</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="224">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <scalar dataType="xsd:double"
                             dictRef="cc:freeEnergy"
                             units="nonsi:electronvolt">-173.89135245</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="v:noEntropyEnergy"
                             units="nonsi:electronvolt">-173.89135245</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:e0" units="nonsi:electronvolt">-173.89135245</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:deltaEnergy"
                             units="nonsi:electronvolt">0.7444370E-03</scalar>
                     <scalar dataType="xsd:double" dictRef="v:efermi" units="nonsi:electronvolt">-3.5625</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.43</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.4299999219551935</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">18.063209076</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="3.81706"
                        xFract="0.01556761"
                        y3="6.4110"
                        yFract="0.99633718"
                        z3="2.89011"
                        zFract="0.15999981"/>
                  <atom elementType="C"
                        id="a2"
                        x3="1.34198"
                        xFract="0.12669128"
                        y3="0.69397"
                        yFract="0.10785028"
                        z3="2.83532"
                        zFract="0.15696657"/>
                  <atom elementType="C"
                        id="a3"
                        x3="1.35154"
                        xFract="0.01751135"
                        y3="2.11558"
                        yFract="0.3287835"
                        z3="2.83935"
                        zFract="0.15718968"/>
                  <atom elementType="C"
                        id="a4"
                        x3="6.29441"
                        xFract="0.34834874"
                        y3="6.41929"
                        yFract="0.99762553"
                        z3="2.79468"
                        zFract="0.15471669"/>
                  <atom elementType="C"
                        id="a5"
                        x3="2.57539"
                        xFract="0.12585585"
                        y3="2.84105"
                        yFract="0.44152921"
                        z3="2.80841"
                        zFract="0.1554768"/>
                  <atom elementType="C"
                        id="a6"
                        x3="2.56817"
                        xFract="0.01374302"
                        y3="4.27134"
                        yFract="0.6638114"
                        z3="2.8179"
                        zFract="0.15600218"/>
                  <atom elementType="C"
                        id="a7"
                        x3="3.80737"
                        xFract="0.12503"
                        y3="4.98553"
                        yFract="0.77480407"
                        z3="2.81489"
                        zFract="0.15583554"/>
                  <atom elementType="C"
                        id="a8"
                        x3="3.81678"
                        xFract="0.45932036"
                        y3="0.6998"
                        yFract="0.10875632"
                        z3="2.81779"
                        zFract="0.15599609"/>
                  <atom elementType="C"
                        id="a9"
                        x3="3.8118"
                        xFract="0.34759993"
                        y3="2.12892"
                        yFract="0.33085668"
                        z3="2.81604"
                        zFract="0.15589921"/>
                  <atom elementType="C"
                        id="a10"
                        x3="8.76854"
                        xFract="0.6815699"
                        y3="6.41634"
                        yFract="0.99716707"
                        z3="2.85222"
                        zFract="0.15790217"/>
                  <atom elementType="C"
                        id="a11"
                        x3="5.03499"
                        xFract="0.45595041"
                        y3="2.85317"
                        yFract="0.44341278"
                        z3="2.83163"
                        zFract="0.15676229"/>
                  <atom elementType="C"
                        id="a12"
                        x3="5.03932"
                        xFract="0.34568581"
                        y3="4.27968"
                        yFract="0.66510752"
                        z3="2.77471"
                        zFract="0.15361113"/>
                  <atom elementType="C"
                        id="a13"
                        x3="6.29411"
                        xFract="0.7944183"
                        y3="0.67824"
                        yFract="0.10540567"
                        z3="2.9052"
                        zFract="0.16083521"/>
                  <atom elementType="C"
                        id="a14"
                        x3="6.28279"
                        xFract="0.45715196"
                        y3="4.99896"
                        yFract="0.77689124"
                        z3="2.78127"
                        zFract="0.1539743"/>
                  <atom elementType="C"
                        id="a15"
                        x3="6.28309"
                        xFract="0.68048392"
                        y3="2.12539"
                        yFract="0.33030808"
                        z3="2.95528"
                        zFract="0.16360769"/>
                  <atom elementType="C"
                        id="a16"
                        x3="7.54004"
                        xFract="0.79383971"
                        y3="2.8437"
                        yFract="0.44194105"
                        z3="2.89189"
                        zFract="0.16009835"/>
                  <atom elementType="C"
                        id="a17"
                        x3="7.52183"
                        xFract="0.67929896"
                        y3="4.2862"
                        yFract="0.6661208"
                        z3="2.84792"
                        zFract="0.15766412"/>
                  <atom elementType="C"
                        id="a18"
                        x3="8.76568"
                        xFract="0.7920168"
                        y3="4.99003"
                        yFract="0.77550342"
                        z3="2.83824"
                        zFract="0.15712823"/>
                  <atom elementType="F"
                        id="a19"
                        x3="6.49285"
                        xFract="0.62148501"
                        y3="3.24797"
                        yFract="0.50476888"
                        z3="6.7279"
                        zFract="0.37246427"/>
                  <atom elementType="Pt"
                        id="a20"
                        x3="6.82851"
                        xFract="0.69844356"
                        y3="2.83896"
                        yFract="0.4412044"
                        z3="4.87236"
                        zFract="0.26973945"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a7" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
               </bondArray>
               <formula concise="C18FPt">
                  <atomArray count="18 1 1" elementType="C F Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">430.26900319999993</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C18.FH.Pt/c1-7-15-9-11(3)18-14(6)16(8-2)10-12(4)17(18)13(15)5;;/h;1H;/q;;+1/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:2,10,1,13,8,4,3,18,6,16,7,15,9,14,5,17,11,12;19;20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18);;/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.2,8.2,9.2,10.2,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3;;/rA:20C1C1C2C1C3C2C3C1C3C1C3C3C1C3CC3C3C2FPt/rB:;s2;;s3;s5;s1s6;;s5s8;;s9;s7s11;;s4s12;s11s13;s15;s14s16;s10s17;;s15s16s19;/rC:;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
