<?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 Oct 02 2019 15:04:02) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-10-24T16:45:58.000</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="Pt"
                        id="a1"
                        x3="2.86415874"
                        xFract="0.337978"
                        y3="1.65775167"
                        yFract="0.337978"
                        z3="1.39371295"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a2"
                        x3="4.27302674"
                        xFract="0.337978"
                        y3="4.11020667"
                        yFract="0.837978"
                        z3="1.56680395"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a3"
                        x3="5.69248774"
                        xFract="0.837978"
                        y3="1.65775167"
                        yFract="0.337978"
                        z3="1.56680395"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a4"
                        x3="7.10135574"
                        xFract="0.837978"
                        y3="4.11020667"
                        yFract="0.837978"
                        z3="1.73989495"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a5"
                        x3="4.13530936"
                        xFract="0.487977"
                        y3="2.39348327"
                        yFract="0.487977"
                        z3="3.81698516"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a6"
                        x3="5.54417736"
                        xFract="0.487977"
                        y3="4.84593827"
                        yFract="0.987977"
                        z3="3.99007616"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a7"
                        x3="6.96363836"
                        xFract="0.987977"
                        y3="2.39348327"
                        yFract="0.487977"
                        z3="3.99007616"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a8"
                        x3="8.37250636"
                        xFract="0.987977"
                        y3="4.84593827"
                        yFract="0.987977"
                        z3="4.16316716"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a9"
                        x3="1.14264995"
                        xFract="0.13309495"
                        y3="0.67849605"
                        yFract="0.13832997"
                        z3="5.88026814"
                        zFract="0.24947228"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="2.56380519"
                        xFract="0.13281659"
                        y3="3.15508071"
                        yFract="0.64324946"
                        z3="6.04423874"
                        zFract="0.24900979"/>
                  <atom elementType="Pt"
                        id="a11"
                        x3="3.97446983"
                        xFract="0.63167661"
                        y3="0.69853869"
                        yFract="0.14241621"
                        z3="6.01554727"
                        zFract="0.24780223"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="5.37378706"
                        xFract="0.62978421"
                        y3="3.1530023"
                        yFract="0.64282572"
                        z3="6.20803875"
                        zFract="0.2486608"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="2.38205101"
                        xFract="0.27270279"
                        y3="1.46127893"
                        yFract="0.29792166"
                        z3="8.25140846"
                        zFract="0.34723657"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="3.78663408"
                        xFract="0.27203798"
                        y3="3.91282122"
                        yFract="0.79773558"
                        z3="8.5605359"
                        zFract="0.35311438"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="5.21120986"
                        xFract="0.77279346"
                        y3="1.46183068"
                        yFract="0.29803415"
                        z3="8.4256801"
                        zFract="0.34728444"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="6.61986676"
                        xFract="0.77354648"
                        y3="3.90650345"
                        yFract="0.79644753"
                        z3="8.59396429"
                        zFract="0.34708964"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.56849173"
                        xFract="0.24270789"
                        y3="3.82189945"
                        yFract="0.77919869"
                        z3="10.55291244"
                        zFract="0.43972865"/>
                  <atom elementType="H"
                        id="a18"
                        x3="4.45366561"
                        xFract="0.41201589"
                        y3="3.69562087"
                        yFract="0.75345335"
                        z3="10.93356279"
                        zFract="0.45399738"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
               </bondArray>
               <formula concise="HOPt16">
                  <atomArray count="1 1 16" elementType="H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3137.2474</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/H2O.16Pt/h1H2;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;+1/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17;1;2;3;4;5;6;7;8;9;10;11;12;13;15;16;14/rA:18PtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtOH/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;s9s10s11;s10s12s13;s11s12s13s14;s12s14s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <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">167.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">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 Pt 05Jan2001|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="3">Pt O H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">195.080 16.000 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">10.000 6.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">16 1 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">7 7 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="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>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2800">-19.7800 -9.6863 -8.4054 -7.4379 -7.3280 -7.2676 -7.1066 -7.0871 -7.0235 -6.9531 -6.9291 -6.9080 -6.5654 -6.5540 -6.5035 -6.2476 -6.2440 -6.2377 -6.1521 -6.1459 -6.1227 -5.5372 -5.5199 -5.3904 -4.9036 -4.7156 -4.4610 -4.4059 -4.4044 -4.3966 -4.3436 -4.2515 -4.2468 -4.2459 -4.1725 -4.1589 -4.0870 -4.0361 -4.0323 -3.9474 -3.7635 -3.7555 -3.6456 -3.6420 -3.4644 -3.3385 -3.2939 -3.2121 -3.0233 -2.9986 -2.9728 -2.9145 -2.7493 -2.5248 -2.4093 -2.3885 -2.3667 -2.1245 -2.0784 -1.9060 -1.8124 -1.8009 -1.5801 -1.4973 -1.4831 -1.4806 -1.4089 -1.1599 -1.1413 -1.1348 -1.0942 -1.0808 -1.0338 -1.0151 -0.9798 -0.9485 -0.9420 -0.9221 -0.7693 -0.7667 -0.7615 -0.5840 -0.5809 -0.4674 -0.4604 -0.4537 -0.4514 -0.4397 0.1453 0.3240 0.4018 0.8913 1.6380 1.6837 1.7250 1.8889 1.9233 2.0092 2.1726 2.1813 2.2181 4.1395 4.4075 4.7261 4.7530 4.8163 4.8940 4.9146 5.2385 5.4726 5.5423 5.7875 -19.7798 -9.5192 -8.2454 -7.4129 -7.1701 -7.1121 -7.1056 -6.9743 -6.9299 -6.8700 -6.8192 -6.8046 -6.4817 -6.4709 -6.4300 -6.2362 -6.1250 -6.1153 -6.0749 -6.0047 -5.9832 -5.4928 -5.4704 -5.3386 -4.9011 -4.7506 -4.5942 -4.4524 -4.4016 -4.3627 -4.3515 -4.3231 -4.3032 -4.1620 -4.1279 -4.0923 -4.0702 -4.0211 -3.9771 -3.9066 -3.8321 -3.6970 -3.6639 -3.5596 -3.5095 -3.4754 -3.4364 -3.3602 -3.2677 -3.1268 -3.0525 -2.8826 -2.7585 -2.6147 -2.5637 -2.4785 -2.4366 -2.1129 -2.0793 -1.9878 -1.9448 -1.8576 -1.8516 -1.7439 -1.6575 -1.6280 -1.5201 -1.5069 -1.4057 -1.3298 -1.2577 -1.2225 -1.2009 -1.1722 -1.1000 -1.0638 -1.0108 -1.0028 -0.9648 -0.8800 -0.8709 -0.8346 -0.8139 -0.7100 -0.6876 -0.6571 -0.6482 -0.6198 0.0500 0.1609 0.6219 0.6929 0.9780 1.3338 1.4077 1.4867 2.1448 2.1979 3.1533 3.1700 3.5801 4.2484 4.5441 4.7730 4.7861 4.8691 5.0121 5.3175 5.5708 5.7881 5.8995 6.0571 -19.7794 -9.0426 -7.8190 -7.3682 -7.1912 -6.7693 -6.7409 -6.6725 -6.6687 -6.6355 -6.5298 -6.5159 -6.3029 -6.2007 -6.1931 -6.1332 -5.9008 -5.8352 -5.8172 -5.6100 -5.6000 -5.3568 -5.3224 -5.1924 -4.9398 -4.8667 -4.8127 -4.7190 -4.6049 -4.5505 -4.3696 -4.2932 -4.2306 -4.1628 -4.0474 -4.0178 -3.9702 -3.9510 -3.9375 -3.8782 -3.8667 -3.8353 -3.7973 -3.7798 -3.6367 -3.6224 -3.5647 -3.4413 -3.3533 -3.2449 -3.1885 -3.0524 -2.9201 -2.8734 -2.7645 -2.7422 -2.6429 -2.5927 -2.5005 -2.4856 -2.3912 -2.3207 -2.2837 -2.1318 -2.0743 -2.0598 -2.0330 -2.0010 -1.7767 -1.6932 -1.6867 -1.6538 -1.6003 -1.5377 -1.5103 -1.4387 -1.3977 -1.3333 -1.2787 -1.2388 -1.1662 -1.1141 -1.0064 -0.9795 -0.9357 -0.8478 -0.7871 -0.7255 -0.4509 0.2719 0.8013 0.8968 0.9135 1.3918 1.4777 2.0132 2.5780 2.5887 3.0374 4.3267 4.3960 4.5790 4.8439 4.8949 5.0602 5.4455 5.6274 5.8821 6.2472 6.6210 6.7368 6.7811 -19.7790 -8.3486 -7.6608 -7.4358 -7.1007 -6.7572 -6.3452 -6.3340 -6.3290 -6.2471 -6.2446 -6.2225 -6.0992 -5.8830 -5.8253 -5.8107 -5.6777 -5.6004 -5.5714 -5.2682 -5.2584 -5.2045 -5.1011 -5.0848 -4.9900 -4.9304 -4.9030 -4.8599 -4.7810 -4.6938 -4.5769 -4.5379 -4.4478 -4.3151 -4.2837 -4.2154 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               </module>
               <module cmlx:templateRef="forces" id="forces">
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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="18">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="18">0.001 0.001 0.001 0.001 -0.000 -0.001 -0.000 -0.001 -0.000 -0.000 -0.000 -0.000 -0.000 -0.001 -0.000 -0.000 0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="18">-0.002 -0.002 -0.002 -0.002 -0.004 -0.004 -0.004 -0.004 -0.004 -0.004 -0.003 -0.004 -0.002 -0.002 -0.001 -0.002 0.012 0.000</array>
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                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.001</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.032</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">2.893</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">2.861</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-76.34127958</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-76.28922606</array>
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                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-76.32392841</array>
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                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.8971</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1950450E-05</array>
                  </module>
               </property>
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                  <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>
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                        z3="1.39371"
                        zFract="0.04999987"/>
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                        z3="1.5668"
                        zFract="0.04999982"/>
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                        yFract="0.33797766"
                        z3="1.5668"
                        zFract="0.04999983"/>
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                        z3="1.73989"
                        zFract="0.04999977"/>
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                        y3="2.39348"
                        yFract="0.48797633"
                        z3="3.81699"
                        zFract="0.15000021"/>
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                        x3="5.54418"
                        xFract="0.48797729"
                        y3="4.84594"
                        yFract="0.98797735"
                        z3="3.99008"
                        zFract="0.15000016"/>
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                        x3="6.96364"
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                        y3="2.39348"
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                        z3="3.99008"
                        zFract="0.15000017"/>
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                        x3="8.37251"
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                        z3="4.16317"
                        zFract="0.15000011"/>
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                        x3="1.14288"
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                        y3="0.67835"
                        yFract="0.13830019"
                        z3="5.88017"
                        zFract="0.24946766"/>
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                        x3="2.56401"
                        xFract="0.13284779"
                        y3="3.15513"
                        yFract="0.64325951"
                        z3="6.04434"
                        zFract="0.24901354"/>
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                        x3="3.97457"
                        xFract="0.63171145"
                        y3="0.69837"
                        yFract="0.14238182"
                        z3="6.01545"
                        zFract="0.24779803"/>
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                        z3="6.20804"
                        zFract="0.24866086"/>
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                        x3="2.38218"
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                        zFract="0.34723475"/>
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                        z3="8.56038"
                        zFract="0.35310717"/>
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                        xFract="0.77283372"
                        y3="1.4618"
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                        z3="8.42569"
                        zFract="0.34728436"/>
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                        xFract="0.77358001"
                        y3="3.90644"
                        yFract="0.79643459"
                        z3="8.59382"
                        zFract="0.34708311"/>
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                        x3="3.56844"
                        xFract="0.24266416"
                        y3="3.82224"
                        yFract="0.77926812"
                        z3="10.55338"
                        zFract="0.43974842"/>
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                        x3="4.45358"
                        xFract="0.41203639"
                        y3="3.69527"
                        yFract="0.75338182"
                        z3="10.93377"
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                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
               </bondArray>
               <formula concise="HOPt16">
                  <atomArray count="1 1 16" elementType="H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3137.2474</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/H2O.16Pt/h1H2;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;+1/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:17;1;2;3;4;5;6;7;8;9;10;11;12;13;15;16;14/rA:18PtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtOH/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;s9s10s11;s10s12s13;s11s12s13s14;s12s14s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
