<?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">
         <dummy/>
         <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">6.4.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">20Jul23 (build May 01 2024 18:10:19) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-04-12T03:55:24.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">23.194182930310458</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">23.194182922468144</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">23.194183</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">7.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">7.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">7.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Pt"
                        id="a1"
                        x3="-1.43207937"
                        xFract="0.337978"
                        y3="-0.82887584"
                        yFract="0.337978"
                        z3="16.72095441"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a2"
                        x3="-2.13651337"
                        xFract="0.337978"
                        y3="-2.05510334"
                        yFract="0.837978"
                        z3="28.23150041"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a3"
                        x3="-2.84624387"
                        xFract="0.837978"
                        y3="-0.82887584"
                        yFract="0.337978"
                        z3="28.23150041"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a4"
                        x3="-3.55067787"
                        xFract="0.837978"
                        y3="-2.05510334"
                        yFract="0.837978"
                        z3="39.74204641"
                        zFract="0.0500"/>
                  <atom elementType="Pt"
                        id="a5"
                        x3="-2.06765468"
                        xFract="0.487977"
                        y3="-1.19674163"
                        yFract="0.487977"
                        z3="25.94665427"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a6"
                        x3="-2.77208868"
                        xFract="0.487977"
                        y3="-2.42296913"
                        yFract="0.987977"
                        z3="37.45720027"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a7"
                        x3="-3.48181918"
                        xFract="0.987977"
                        y3="-1.19674163"
                        yFract="0.487977"
                        z3="37.45720027"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a8"
                        x3="-4.18625318"
                        xFract="0.987977"
                        y3="-2.42296913"
                        yFract="0.987977"
                        z3="48.96774627"
                        zFract="0.1500"/>
                  <atom elementType="Pt"
                        id="a9"
                        x3="-0.60704599"
                        xFract="0.14340661"
                        y3="-0.35066067"
                        yFract="0.14298353"
                        z3="12.37883541"
                        zFract="0.24945141"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="-1.31147999"
                        xFract="0.14340661"
                        y3="-1.57688817"
                        yFract="0.64298353"
                        z3="23.88938141"
                        zFract="0.24945141"/>
                  <atom elementType="Pt"
                        id="a11"
                        x3="-2.02121049"
                        xFract="0.64340661"
                        y3="-0.35066067"
                        yFract="0.14298353"
                        z3="23.88938141"
                        zFract="0.24945141"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="-2.72564449"
                        xFract="0.64340661"
                        y3="-1.57688817"
                        yFract="0.64298353"
                        z3="35.39992741"
                        zFract="0.24945141"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="-1.37118721"
                        xFract="0.32367875"
                        y3="-0.79327941"
                        yFract="0.32346339"
                        z3="22.98483436"
                        zFract="0.34866137"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="-2.07562121"
                        xFract="0.32367875"
                        y3="-2.01950691"
                        yFract="0.82346339"
                        z3="34.49538036"
                        zFract="0.34866137"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="-2.78535171"
                        xFract="0.82367875"
                        y3="-0.79327941"
                        yFract="0.32346339"
                        z3="34.49538036"
                        zFract="0.34866137"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="-3.48978571"
                        xFract="0.82367875"
                        y3="-2.01950691"
                        yFract="0.82346339"
                        z3="46.00592636"
                        zFract="0.34866137"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.73442633"
                        xFract="0.81156735"
                        y3="-0.76426086"
                        yFract="0.31163094"
                        z3="35.94219814"
                        zFract="0.43480501"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-3.43886033"
                        xFract="0.81156735"
                        y3="-1.99048836"
                        yFract="0.81163094"
                        z3="47.45274414"
                        zFract="0.43480501"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-1.32026183"
                        xFract="0.31156735"
                        y3="-0.76426086"
                        yFract="0.31163094"
                        z3="24.43165214"
                        zFract="0.43480501"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-2.02469583"
                        xFract="0.31156735"
                        y3="-1.99048836"
                        yFract="0.81163094"
                        z3="35.94219814"
                        zFract="0.43480501"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-0.90667055"
                        xFract="0.21375874"
                        y3="-0.52585719"
                        yFract="0.21442073"
                        z3="20.22696692"
                        zFract="0.44708658"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-1.61110455"
                        xFract="0.21375874"
                        y3="-1.75208469"
                        yFract="0.71442073"
                        z3="31.73751292"
                        zFract="0.44708658"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-2.32083505"
                        xFract="0.71375874"
                        y3="-0.52585719"
                        yFract="0.21442073"
                        z3="31.73751292"
                        zFract="0.44708658"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-3.02526905"
                        xFract="0.71375874"
                        y3="-1.75208469"
                        yFract="0.71442073"
                        z3="43.24805892"
                        zFract="0.44708658"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
               </bondArray>
               <formula concise="H4O4Pt16">
                  <atomArray count="4 4 16" elementType="H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3185.2456000000006</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: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">189.1280</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:libxc">
                  <scalar dataType="xsd:string">F</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 4 4</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="3200">-25.9141 -25.0906 -25.0904 -24.9138 -14.9440 -14.1564 -13.7686 -12.9672 -12.9651 -12.7656 -12.4789 -12.4153 -12.2043 -12.2042 -12.1380 -12.1344 -12.1341 -11.9171 -11.8216 -11.8215 -11.7787 -11.6479 -11.6478 -11.6222 -11.4213 -11.3823 -11.3823 -11.0754 -11.0751 -10.7596 -10.5998 -10.2806 -10.2804 -9.9878 -9.9877 -9.9448 -9.6797 -9.6068 -9.6067 -9.6015 -9.5389 -9.4592 -9.3552 -9.3238 -9.2742 -9.2238 -9.1884 -9.1655 -9.0618 -9.0614 -9.0583 -8.9042 -8.9039 -8.8418 -8.8394 -8.6902 -8.4436 -8.3459 -8.2149 -8.2146 -8.0956 -7.9628 -7.9626 -7.7308 -7.7307 -7.7127 -7.5647 -7.4710 -7.3703 -7.1653 -7.1360 -7.1358 -7.0513 -7.0381 -6.7603 -6.7490 -6.4296 -6.4295 -6.3648 -6.3540 -6.3538 -6.2992 -6.2350 -6.1915 -6.1658 -6.1658 -6.0644 -6.0356 -6.0354 -6.0225 -5.9301 -5.9298 -5.8925 -5.8917 -5.7662 -5.7660 -5.6163 -5.6150 -5.6150 -5.5323 -5.1015 -4.5991 -4.5990 -3.9681 -3.6455 -3.6288 -3.6180 -3.6178 -3.4269 -3.4260 -3.2243 -3.1215 -3.1213 -2.6422 -2.4559 -1.4395 -0.8258 -0.6769 -0.6768 -0.6290 -0.4106 0.0775 0.0790 0.6697 1.2338 1.2344 1.4953 1.5975 -25.8773 -25.1360 -25.0832 -24.9240 -14.7775 -14.0777 -13.6087 -12.9783 -12.8901 -12.6015 -12.3230 -12.3025 -12.1689 -12.1190 -12.1046 -12.0479 -12.0129 -11.8999 -11.7536 -11.7195 -11.6786 -11.6164 -11.5164 -11.5042 -11.3260 -11.3027 -11.2429 -11.0279 -11.0264 -10.7119 -10.5921 -10.2889 -10.2498 -10.0237 -9.9810 -9.9799 -9.7455 -9.7261 -9.5822 -9.5524 -9.5475 -9.4774 -9.4504 -9.2862 -9.2740 -9.2353 -9.2026 -9.1910 -9.0963 -9.0386 -9.0202 -8.8901 -8.8863 -8.8796 -8.8537 -8.7328 -8.4208 -8.3587 -8.3578 -8.3549 -8.3172 -8.1397 -8.0580 -7.9231 -7.8164 -7.7959 -7.6271 -7.5187 -7.4611 -7.2068 -7.1917 -7.1752 -7.0906 -7.0124 -6.9983 -6.8378 -6.8026 -6.7929 -6.7022 -6.6609 -6.6451 -6.4696 -6.4456 -6.4245 -6.3524 -6.3052 -6.2396 -6.2153 -6.2107 -6.1512 -6.1424 -6.1045 -5.9989 -5.9957 -5.9747 -5.9372 -5.8018 -5.6133 -5.4366 -5.3905 -5.2371 -5.1338 -4.6792 -4.4782 -3.9045 -3.8535 -3.8296 -3.6141 -3.4781 -3.1118 -2.9489 -2.3134 -2.1223 -1.8212 -1.5415 -1.2762 -0.7322 -0.5585 -0.4072 -0.3874 -0.3168 0.2172 0.3260 0.5238 0.8646 0.8944 1.1904 1.4006 -25.8773 -25.1362 -25.0830 -24.9240 -14.7775 -14.0778 -13.6087 -12.9803 -12.8883 -12.6015 -12.3230 -12.3025 -12.1685 -12.1190 -12.1046 -12.0481 -12.0129 -11.8998 -11.7535 -11.7196 -11.6786 -11.6165 -11.5164 -11.5042 -11.3260 -11.3027 -11.2429 -11.0280 -11.0262 -10.7119 -10.5921 -10.2891 -10.2496 -10.0235 -9.9809 -9.9800 -9.7456 -9.7260 -9.5822 -9.5525 -9.5476 -9.4771 -9.4504 -9.2863 -9.2742 -9.2351 -9.2023 -9.1912 -9.0964 -9.0390 -9.0202 -8.8901 -8.8864 -8.8795 -8.8537 -8.7328 -8.4208 -8.3584 -8.3578 -8.3550 -8.3176 -8.1398 -8.0578 -7.9230 -7.8167 -7.7956 -7.6265 -7.5192 -7.4612 -7.2066 -7.1915 -7.1753 -7.0908 -7.0122 -6.9984 -6.8377 -6.8025 -6.7929 -6.7022 -6.6608 -6.6449 -6.4697 -6.4456 -6.4245 -6.3524 -6.3052 -6.2397 -6.2153 -6.2108 -6.1511 -6.1424 -6.1046 -5.9989 -5.9959 -5.9745 -5.9372 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                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21409"
                           xFract="0.1434064"
                           y3="0.70132"
                           yFract="0.14298326"
                           z3="5.88496"
                           zFract="0.24945121"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62296"
                           xFract="0.14340624"
                           y3="3.15378"
                           yFract="0.64298427"
                           z3="6.05806"
                           zFract="0.24945159"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04242"
                           xFract="0.64340657"
                           y3="0.70132"
                           yFract="0.14298326"
                           z3="6.05806"
                           zFract="0.2494516"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45129"
                           xFract="0.64340642"
                           y3="3.15378"
                           yFract="0.64298427"
                           z3="6.23115"
                           zFract="0.24945154"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.74237"
                           xFract="0.32367785"
                           y3="1.58656"
                           yFract="0.32346363"
                           z3="8.31094"
                           zFract="0.34866118"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.15124"
                           xFract="0.32367871"
                           y3="4.03901"
                           yFract="0.82346261"
                           z3="8.48404"
                           zFract="0.34866157"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.5707"
                           xFract="0.82367802"
                           y3="1.58656"
                           yFract="0.32346363"
                           z3="8.48404"
                           zFract="0.34866157"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.97957"
                           xFract="0.82367888"
                           y3="4.03901"
                           yFract="0.82346261"
                           z3="8.65713"
                           zFract="0.34866153"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46885"
                           xFract="0.81156705"
                           y3="1.52852"
                           yFract="0.31163059"
                           z3="10.47378"
                           zFract="0.43480511"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87772"
                           xFract="0.8115669"
                           y3="3.98098"
                           yFract="0.81163161"
                           z3="10.64687"
                           zFract="0.43480505"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.64052"
                           xFract="0.31156688"
                           y3="1.52852"
                           yFract="0.31163059"
                           z3="10.30069"
                           zFract="0.43480515"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.04939"
                           xFract="0.31156672"
                           y3="3.98098"
                           yFract="0.81163161"
                           z3="10.47378"
                           zFract="0.4348051"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.81334"
                           xFract="0.21375899"
                           y3="1.05171"
                           yFract="0.21441984"
                           z3="10.51804"
                           zFract="0.44708676"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.22221"
                           xFract="0.21375884"
                           y3="3.50417"
                           yFract="0.71442086"
                           z3="10.69113"
                           zFract="0.44708671"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.64167"
                           xFract="0.71375917"
                           y3="1.05171"
                           yFract="0.21441984"
                           z3="10.69113"
                           zFract="0.44708672"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.05054"
                           xFract="0.71375901"
                           y3="3.50417"
                           yFract="0.71442086"
                           z3="10.86422"
                           zFract="0.44708666"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.2">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21436"
                           xFract="0.14343788"
                           y3="0.70148"
                           yFract="0.14301588"
                           z3="5.8851"
                           zFract="0.24945629"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62322"
                           xFract="0.14343697"
                           y3="3.15393"
                           yFract="0.64301486"
                           z3="6.05819"
                           zFract="0.24945628"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04268"
                           xFract="0.64343629"
                           y3="0.70148"
                           yFract="0.14301588"
                           z3="6.05819"
                           zFract="0.24945627"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45155"
                           xFract="0.64343715"
                           y3="3.15393"
                           yFract="0.64301486"
                           z3="6.23128"
                           zFract="0.24945623"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.74276"
                           xFract="0.3237214"
                           y3="1.58681"
                           yFract="0.3235146"
                           z3="8.30724"
                           zFract="0.34850025"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.15163"
                           xFract="0.32372226"
                           y3="4.03926"
                           yFract="0.82351358"
                           z3="8.48033"
                           zFract="0.34850021"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.57109"
                           xFract="0.82372158"
                           y3="1.58681"
                           yFract="0.3235146"
                           z3="8.48033"
                           zFract="0.3485002"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.97996"
                           xFract="0.82372244"
                           y3="4.03926"
                           yFract="0.82351358"
                           z3="8.65342"
                           zFract="0.34850016"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46788"
                           xFract="0.81145448"
                           y3="1.52794"
                           yFract="0.31151234"
                           z3="10.48218"
                           zFract="0.43517071"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87674"
                           xFract="0.81145256"
                           y3="3.9804"
                           yFract="0.81151336"
                           z3="10.65527"
                           zFract="0.43517068"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63955"
                           xFract="0.3114543"
                           y3="1.52794"
                           yFract="0.31151234"
                           z3="10.30909"
                           zFract="0.43517076"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.04842"
                           xFract="0.31145415"
                           y3="3.9804"
                           yFract="0.81151336"
                           z3="10.48218"
                           zFract="0.4351707"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.81392"
                           xFract="0.21382801"
                           y3="1.05204"
                           yFract="0.21448712"
                           z3="10.51358"
                           zFract="0.44689244"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.22279"
                           xFract="0.21382786"
                           y3="3.5045"
                           yFract="0.71448814"
                           z3="10.68667"
                           zFract="0.44689238"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.64225"
                           xFract="0.71382819"
                           y3="1.05204"
                           yFract="0.21448712"
                           z3="10.68667"
                           zFract="0.44689239"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.05112"
                           xFract="0.71382803"
                           y3="3.5045"
                           yFract="0.71448814"
                           z3="10.85977"
                           zFract="0.44689277"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.2148"
                           xFract="0.14348926"
                           y3="0.70174"
                           yFract="0.14306888"
                           z3="5.88532"
                           zFract="0.24946422"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62366"
                           xFract="0.14348734"
                           y3="3.1542"
                           yFract="0.6430699"
                           z3="6.05841"
                           zFract="0.24946419"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04312"
                           xFract="0.64348767"
                           y3="0.70174"
                           yFract="0.14306888"
                           z3="6.05841"
                           zFract="0.2494642"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45199"
                           xFract="0.64348751"
                           y3="3.1542"
                           yFract="0.6430699"
                           z3="6.2315"
                           zFract="0.24946414"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.74341"
                           xFract="0.32379467"
                           y3="1.58722"
                           yFract="0.32359819"
                           z3="8.30104"
                           zFract="0.3482306"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.15228"
                           xFract="0.32379452"
                           y3="4.03968"
                           yFract="0.82359921"
                           z3="8.47413"
                           zFract="0.34823054"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.57174"
                           xFract="0.82379485"
                           y3="1.58722"
                           yFract="0.32359819"
                           z3="8.47413"
                           zFract="0.34823055"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.98061"
                           xFract="0.8237947"
                           y3="4.03968"
                           yFract="0.82359921"
                           z3="8.64722"
                           zFract="0.3482305"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46624"
                           xFract="0.81126205"
                           y3="1.52698"
                           yFract="0.31131662"
                           z3="10.49624"
                           zFract="0.43578269"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87511"
                           xFract="0.81126291"
                           y3="3.97943"
                           yFract="0.8113156"
                           z3="10.66933"
                           zFract="0.43578265"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63791"
                           xFract="0.31126187"
                           y3="1.52698"
                           yFract="0.31131662"
                           z3="10.32315"
                           zFract="0.43578274"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.04678"
                           xFract="0.31126273"
                           y3="3.97943"
                           yFract="0.8113156"
                           z3="10.49624"
                           zFract="0.4357827"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.81489"
                           xFract="0.21394363"
                           y3="1.05259"
                           yFract="0.21459925"
                           z3="10.50613"
                           zFract="0.44656784"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.22375"
                           xFract="0.21394273"
                           y3="3.50504"
                           yFract="0.71459823"
                           z3="10.67922"
                           zFract="0.44656782"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.64322"
                           xFract="0.71394381"
                           y3="1.05259"
                           yFract="0.21459925"
                           z3="10.67922"
                           zFract="0.44656779"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.05208"
                           xFract="0.7139429"
                           y3="3.50504"
                           yFract="0.71459823"
                           z3="10.85231"
                           zFract="0.44656778"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.2149"
                           xFract="0.14349983"
                           y3="0.70181"
                           yFract="0.14308316"
                           z3="5.88537"
                           zFract="0.249466"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62377"
                           xFract="0.14350069"
                           y3="3.15426"
                           yFract="0.64308214"
                           z3="6.05846"
                           zFract="0.24946596"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04323"
                           xFract="0.6435"
                           y3="0.70181"
                           yFract="0.14308316"
                           z3="6.05846"
                           zFract="0.24946596"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.4521"
                           xFract="0.64350086"
                           y3="3.15426"
                           yFract="0.64308214"
                           z3="6.23155"
                           zFract="0.24946592"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.74356"
                           xFract="0.32381104"
                           y3="1.58732"
                           yFract="0.32361858"
                           z3="8.29959"
                           zFract="0.34816754"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.15243"
                           xFract="0.32381088"
                           y3="4.03978"
                           yFract="0.8236196"
                           z3="8.47268"
                           zFract="0.34816748"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.57189"
                           xFract="0.82381121"
                           y3="1.58732"
                           yFract="0.32361858"
                           z3="8.47268"
                           zFract="0.34816749"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.98076"
                           xFract="0.82381106"
                           y3="4.03978"
                           yFract="0.8236196"
                           z3="8.64578"
                           zFract="0.34816786"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46586"
                           xFract="0.81121823"
                           y3="1.52675"
                           yFract="0.31126973"
                           z3="10.49952"
                           zFract="0.43592546"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87473"
                           xFract="0.81121807"
                           y3="3.97921"
                           yFract="0.81127075"
                           z3="10.67261"
                           zFract="0.4359254"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63753"
                           xFract="0.31121805"
                           y3="1.52675"
                           yFract="0.31126973"
                           z3="10.32643"
                           zFract="0.4359255"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.0464"
                           xFract="0.3112179"
                           y3="3.97921"
                           yFract="0.81127075"
                           z3="10.49952"
                           zFract="0.43592545"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.81511"
                           xFract="0.21396932"
                           y3="1.05272"
                           yFract="0.21462575"
                           z3="10.50439"
                           zFract="0.44649204"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.22398"
                           xFract="0.21397019"
                           y3="3.50517"
                           yFract="0.71462473"
                           z3="10.67748"
                           zFract="0.446492"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.64344"
                           xFract="0.7139695"
                           y3="1.05272"
                           yFract="0.21462575"
                           z3="10.67748"
                           zFract="0.44649199"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.05231"
                           xFract="0.71397036"
                           y3="3.50517"
                           yFract="0.71462473"
                           z3="10.85057"
                           zFract="0.44649195"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21558"
                           xFract="0.14358145"
                           y3="0.70219"
                           yFract="0.14316063"
                           z3="5.88451"
                           zFract="0.24942655"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62445"
                           xFract="0.14358129"
                           y3="3.15465"
                           yFract="0.64316165"
                           z3="6.0576"
                           zFract="0.24942649"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04391"
                           xFract="0.64358162"
                           y3="0.70219"
                           yFract="0.14316063"
                           z3="6.0576"
                           zFract="0.2494265"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45278"
                           xFract="0.64358147"
                           y3="3.15465"
                           yFract="0.64316165"
                           z3="6.23069"
                           zFract="0.24942645"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.74437"
                           xFract="0.32390345"
                           y3="1.58782"
                           yFract="0.32372052"
                           z3="8.30012"
                           zFract="0.34818748"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.15324"
                           xFract="0.32390431"
                           y3="4.04027"
                           yFract="0.8237195"
                           z3="8.47321"
                           zFract="0.34818744"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.5727"
                           xFract="0.82390363"
                           y3="1.58782"
                           yFract="0.32372052"
                           z3="8.47321"
                           zFract="0.34818744"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.98157"
                           xFract="0.82390449"
                           y3="4.04027"
                           yFract="0.8237195"
                           z3="8.6463"
                           zFract="0.3481874"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.4707"
                           xFract="0.8117895"
                           y3="1.52955"
                           yFract="0.31184058"
                           z3="10.50742"
                           zFract="0.43624902"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87957"
                           xFract="0.81179036"
                           y3="3.9820"
                           yFract="0.81183956"
                           z3="10.68051"
                           zFract="0.43624897"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.64237"
                           xFract="0.31178932"
                           y3="1.52955"
                           yFract="0.31184058"
                           z3="10.33433"
                           zFract="0.43624906"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.05124"
                           xFract="0.31179018"
                           y3="3.9820"
                           yFract="0.81183956"
                           z3="10.50742"
                           zFract="0.43624902"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.80935"
                           xFract="0.21328924"
                           y3="1.04939"
                           yFract="0.21394684"
                           z3="10.49756"
                           zFract="0.44621785"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.21822"
                           xFract="0.2132901"
                           y3="3.50184"
                           yFract="0.71394582"
                           z3="10.67065"
                           zFract="0.44621781"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.63768"
                           xFract="0.71328942"
                           y3="1.04939"
                           yFract="0.21394684"
                           z3="10.67065"
                           zFract="0.44621781"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.04655"
                           xFract="0.71329028"
                           y3="3.50184"
                           yFract="0.71394582"
                           z3="10.84375"
                           zFract="0.4462182"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21597"
                           xFract="0.14362805"
                           y3="0.70241"
                           yFract="0.14320548"
                           z3="5.88401"
                           zFract="0.24940363"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62484"
                           xFract="0.1436279"
                           y3="3.15487"
                           yFract="0.6432065"
                           z3="6.0571"
                           zFract="0.24940357"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.0443"
                           xFract="0.64362823"
                           y3="0.70241"
                           yFract="0.14320548"
                           z3="6.0571"
                           zFract="0.24940358"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45317"
                           xFract="0.64362807"
                           y3="3.15487"
                           yFract="0.6432065"
                           z3="6.23019"
                           zFract="0.24940353"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.74483"
                           xFract="0.32395532"
                           y3="1.58811"
                           yFract="0.32377964"
                           z3="8.30042"
                           zFract="0.34819876"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.1537"
                           xFract="0.32395618"
                           y3="4.04056"
                           yFract="0.82377862"
                           z3="8.47351"
                           zFract="0.34819872"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.57316"
                           xFract="0.8239555"
                           y3="1.58811"
                           yFract="0.32377964"
                           z3="8.47351"
                           zFract="0.34819872"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.98203"
                           xFract="0.82395636"
                           y3="4.04056"
                           yFract="0.82377862"
                           z3="8.6466"
                           zFract="0.34819868"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.47348"
                           xFract="0.81211846"
                           y3="1.53115"
                           yFract="0.31216679"
                           z3="10.51196"
                           zFract="0.43643498"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.88235"
                           xFract="0.81211831"
                           y3="3.98361"
                           yFract="0.81216781"
                           z3="10.68505"
                           zFract="0.43643492"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.64515"
                           xFract="0.31211829"
                           y3="1.53115"
                           yFract="0.31216679"
                           z3="10.33887"
                           zFract="0.43643502"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.05402"
                           xFract="0.31211813"
                           y3="3.98361"
                           yFract="0.81216781"
                           z3="10.51196"
                           zFract="0.43643496"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.80604"
                           xFract="0.21289908"
                           y3="1.04747"
                           yFract="0.2135554"
                           z3="10.49364"
                           zFract="0.44606051"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.21491"
                           xFract="0.21289892"
                           y3="3.49993"
                           yFract="0.71355642"
                           z3="10.66673"
                           zFract="0.44606046"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.63437"
                           xFract="0.71289925"
                           y3="1.04747"
                           yFract="0.2135554"
                           z3="10.66673"
                           zFract="0.44606047"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.04324"
                           xFract="0.7128991"
                           y3="3.49993"
                           yFract="0.71355642"
                           z3="10.83982"
                           zFract="0.44606041"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21683"
                           xFract="0.14372626"
                           y3="0.70294"
                           yFract="0.14331354"
                           z3="5.88273"
                           zFract="0.24934536"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62569"
                           xFract="0.14372535"
                           y3="3.15539"
                           yFract="0.64331252"
                           z3="6.05582"
                           zFract="0.24934535"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04515"
                           xFract="0.64372467"
                           y3="0.70294"
                           yFract="0.14331354"
                           z3="6.05582"
                           zFract="0.24934534"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45402"
                           xFract="0.64372553"
                           y3="3.15539"
                           yFract="0.64331252"
                           z3="6.22891"
                           zFract="0.2493453"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.74638"
                           xFract="0.32413488"
                           y3="1.58904"
                           yFract="0.32396925"
                           z3="8.30591"
                           zFract="0.34842995"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.15524"
                           xFract="0.32413296"
                           y3="4.0415"
                           yFract="0.82397027"
                           z3="8.4790"
                           zFract="0.34842992"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.5747"
                           xFract="0.82413329"
                           y3="1.58904"
                           yFract="0.32396925"
                           z3="8.4790"
                           zFract="0.34842993"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.98357"
                           xFract="0.82413314"
                           y3="4.0415"
                           yFract="0.82397027"
                           z3="8.65209"
                           zFract="0.34842987"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.47284"
                           xFract="0.81204188"
                           y3="1.53079"
                           yFract="0.31209339"
                           z3="10.51631"
                           zFract="0.43662476"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.88171"
                           xFract="0.81204173"
                           y3="3.98325"
                           yFract="0.81209441"
                           z3="10.6894"
                           zFract="0.4366247"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.64451"
                           xFract="0.31204171"
                           y3="1.53079"
                           yFract="0.31209339"
                           z3="10.34322"
                           zFract="0.43662481"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.05338"
                           xFract="0.31204155"
                           y3="3.98325"
                           yFract="0.81209441"
                           z3="10.51631"
                           zFract="0.43662475"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.80485"
                           xFract="0.21276183"
                           y3="1.04675"
                           yFract="0.2134086"
                           z3="10.48609"
                           zFract="0.44573924"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.21372"
                           xFract="0.21276167"
                           y3="3.49921"
                           yFract="0.71340962"
                           z3="10.65918"
                           zFract="0.44573918"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.63318"
                           xFract="0.712762"
                           y3="1.04675"
                           yFract="0.2134086"
                           z3="10.65918"
                           zFract="0.44573919"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.04205"
                           xFract="0.71276185"
                           y3="3.49921"
                           yFract="0.71340962"
                           z3="10.83227"
                           zFract="0.44573914"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21883"
                           xFract="0.14395592"
                           y3="0.70416"
                           yFract="0.14356227"
                           z3="5.87974"
                           zFract="0.24920931"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.6277"
                           xFract="0.14395577"
                           y3="3.15662"
                           yFract="0.64356329"
                           z3="6.05283"
                           zFract="0.24920926"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04716"
                           xFract="0.6439561"
                           y3="0.70416"
                           yFract="0.14356227"
                           z3="6.05283"
                           zFract="0.24920927"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45603"
                           xFract="0.64395595"
                           y3="3.15662"
                           yFract="0.64356329"
                           z3="6.22592"
                           zFract="0.24920921"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.74999"
                           xFract="0.32454965"
                           y3="1.59124"
                           yFract="0.32441778"
                           z3="8.31879"
                           zFract="0.34897238"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.15886"
                           xFract="0.32454949"
                           y3="4.0437"
                           yFract="0.8244188"
                           z3="8.49188"
                           zFract="0.34897232"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.57832"
                           xFract="0.82454982"
                           y3="1.59124"
                           yFract="0.32441778"
                           z3="8.49188"
                           zFract="0.34897233"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.98719"
                           xFract="0.82454967"
                           y3="4.0437"
                           yFract="0.8244188"
                           z3="8.66498"
                           zFract="0.34897271"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.47134"
                           xFract="0.81186303"
                           y3="1.52994"
                           yFract="0.3119201"
                           z3="10.52652"
                           zFract="0.43707021"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.88021"
                           xFract="0.81186288"
                           y3="3.9824"
                           yFract="0.81192112"
                           z3="10.69961"
                           zFract="0.43707016"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.64301"
                           xFract="0.31186286"
                           y3="1.52994"
                           yFract="0.3119201"
                           z3="10.35343"
                           zFract="0.43707026"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.05188"
                           xFract="0.3118627"
                           y3="3.9824"
                           yFract="0.81192112"
                           z3="10.52652"
                           zFract="0.4370702"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.80205"
                           xFract="0.21243745"
                           y3="1.04507"
                           yFract="0.21306609"
                           z3="10.46837"
                           zFract="0.44498521"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.21092"
                           xFract="0.2124373"
                           y3="3.49753"
                           yFract="0.71306711"
                           z3="10.64146"
                           zFract="0.44498515"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.63038"
                           xFract="0.71243763"
                           y3="1.04507"
                           yFract="0.21306609"
                           z3="10.64146"
                           zFract="0.44498516"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.03925"
                           xFract="0.71243747"
                           y3="3.49753"
                           yFract="0.71306711"
                           z3="10.81455"
                           zFract="0.44498511"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21947"
                           xFract="0.14402946"
                           y3="0.70455"
                           yFract="0.14364178"
                           z3="5.87879"
                           zFract="0.24916607"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62834"
                           xFract="0.14403032"
                           y3="3.1570"
                           yFract="0.64364076"
                           z3="6.05188"
                           zFract="0.24916603"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.0478"
                           xFract="0.64402964"
                           y3="0.70455"
                           yFract="0.14364178"
                           z3="6.05188"
                           zFract="0.24916602"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45667"
                           xFract="0.6440305"
                           y3="3.1570"
                           yFract="0.64364076"
                           z3="6.22497"
                           zFract="0.24916598"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.75114"
                           xFract="0.32468186"
                           y3="1.59194"
                           yFract="0.32456049"
                           z3="8.32288"
                           zFract="0.34914461"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.16001"
                           xFract="0.32468272"
                           y3="4.04439"
                           yFract="0.82455947"
                           z3="8.49597"
                           zFract="0.34914457"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.57947"
                           xFract="0.82468203"
                           y3="1.59194"
                           yFract="0.32456049"
                           z3="8.49597"
                           zFract="0.34914456"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.98834"
                           xFract="0.82468289"
                           y3="4.04439"
                           yFract="0.82455947"
                           z3="8.66906"
                           zFract="0.34914452"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.47087"
                           xFract="0.81180736"
                           y3="1.52967"
                           yFract="0.31186505"
                           z3="10.52976"
                           zFract="0.43721156"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87973"
                           xFract="0.81180544"
                           y3="3.98213"
                           yFract="0.81186607"
                           z3="10.70285"
                           zFract="0.43721153"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.64254"
                           xFract="0.31180719"
                           y3="1.52967"
                           yFract="0.31186505"
                           z3="10.35666"
                           zFract="0.43721117"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.05141"
                           xFract="0.31180703"
                           y3="3.98213"
                           yFract="0.81186607"
                           z3="10.52976"
                           zFract="0.43721155"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.80116"
                           xFract="0.21233394"
                           y3="1.04454"
                           yFract="0.21295804"
                           z3="10.46275"
                           zFract="0.44474606"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.21003"
                           xFract="0.2123348"
                           y3="3.49699"
                           yFract="0.71295702"
                           z3="10.63584"
                           zFract="0.44474602"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.62949"
                           xFract="0.71233412"
                           y3="1.04454"
                           yFract="0.21295804"
                           z3="10.63584"
                           zFract="0.44474602"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.03836"
                           xFract="0.71233498"
                           y3="3.49699"
                           yFract="0.71295702"
                           z3="10.80893"
                           zFract="0.44474598"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21941"
                           xFract="0.14401479"
                           y3="0.70459"
                           yFract="0.14364993"
                           z3="5.88235"
                           zFract="0.24931965"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62828"
                           xFract="0.14401565"
                           y3="3.15704"
                           yFract="0.64364892"
                           z3="6.05544"
                           zFract="0.24931961"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04774"
                           xFract="0.64401497"
                           y3="0.70459"
                           yFract="0.14364993"
                           z3="6.05544"
                           zFract="0.24931961"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45661"
                           xFract="0.64401583"
                           y3="3.15704"
                           yFract="0.64364892"
                           z3="6.22853"
                           zFract="0.24931957"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.75497"
                           xFract="0.32512942"
                           y3="1.5942"
                           yFract="0.32502125"
                           z3="8.32439"
                           zFract="0.34919616"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.16384"
                           xFract="0.32513028"
                           y3="4.04665"
                           yFract="0.82502023"
                           z3="8.49748"
                           zFract="0.34919612"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.5833"
                           xFract="0.82512959"
                           y3="1.5942"
                           yFract="0.32502125"
                           z3="8.49748"
                           zFract="0.34919611"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.99217"
                           xFract="0.82513045"
                           y3="4.04665"
                           yFract="0.82502023"
                           z3="8.67057"
                           zFract="0.34919607"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46786"
                           xFract="0.81144891"
                           y3="1.52796"
                           yFract="0.31151642"
                           z3="10.52849"
                           zFract="0.43716735"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87673"
                           xFract="0.81144977"
                           y3="3.98041"
                           yFract="0.8115154"
                           z3="10.70158"
                           zFract="0.43716731"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63953"
                           xFract="0.31144873"
                           y3="1.52796"
                           yFract="0.31151642"
                           z3="10.3554"
                           zFract="0.4371674"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.0484"
                           xFract="0.3114496"
                           y3="3.98041"
                           yFract="0.8115154"
                           z3="10.52849"
                           zFract="0.43716736"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.80069"
                           xFract="0.21228437"
                           y3="1.04421"
                           yFract="0.21289076"
                           z3="10.46102"
                           zFract="0.44467322"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.20956"
                           xFract="0.21228421"
                           y3="3.49667"
                           yFract="0.71289178"
                           z3="10.63411"
                           zFract="0.44467316"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.62902"
                           xFract="0.71228454"
                           y3="1.04421"
                           yFract="0.21289076"
                           z3="10.63411"
                           zFract="0.44467317"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.03788"
                           xFract="0.71228262"
                           y3="3.49667"
                           yFract="0.71289178"
                           z3="10.8072"
                           zFract="0.44467314"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21936"
                           xFract="0.1440029"
                           y3="0.70462"
                           yFract="0.14365605"
                           z3="5.88561"
                           zFract="0.24946029"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62823"
                           xFract="0.14400275"
                           y3="3.15708"
                           yFract="0.64365707"
                           z3="6.0587"
                           zFract="0.24946024"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04769"
                           xFract="0.64400308"
                           y3="0.70462"
                           yFract="0.14365605"
                           z3="6.0587"
                           zFract="0.24946025"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45656"
                           xFract="0.64400293"
                           y3="3.15708"
                           yFract="0.64365707"
                           z3="6.23179"
                           zFract="0.24946019"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.75848"
                           xFract="0.32554072"
                           y3="1.59626"
                           yFract="0.32544124"
                           z3="8.32578"
                           zFract="0.34924368"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.16735"
                           xFract="0.32554056"
                           y3="4.04872"
                           yFract="0.82544226"
                           z3="8.49887"
                           zFract="0.34924362"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.58681"
                           xFract="0.82554089"
                           y3="1.59626"
                           yFract="0.32544124"
                           z3="8.49887"
                           zFract="0.34924363"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.99568"
                           xFract="0.82554074"
                           y3="4.04872"
                           yFract="0.82544226"
                           z3="8.67196"
                           zFract="0.34924358"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46512"
                           xFract="0.81112397"
                           y3="1.52639"
                           yFract="0.31119633"
                           z3="10.52733"
                           zFract="0.43712697"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87398"
                           xFract="0.81112306"
                           y3="3.97884"
                           yFract="0.81119531"
                           z3="10.70042"
                           zFract="0.43712695"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63679"
                           xFract="0.31112379"
                           y3="1.52639"
                           yFract="0.31119633"
                           z3="10.35424"
                           zFract="0.43712701"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.04566"
                           xFract="0.31112465"
                           y3="3.97884"
                           yFract="0.81119531"
                           z3="10.52733"
                           zFract="0.43712697"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.80025"
                           xFract="0.21223603"
                           y3="1.04392"
                           yFract="0.21283163"
                           z3="10.45944"
                           zFract="0.4446067"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.20912"
                           xFract="0.21223689"
                           y3="3.49637"
                           yFract="0.71283061"
                           z3="10.63253"
                           zFract="0.44460666"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.62858"
                           xFract="0.71223621"
                           y3="1.04392"
                           yFract="0.21283163"
                           z3="10.63253"
                           zFract="0.44460666"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.03745"
                           xFract="0.71223707"
                           y3="3.49637"
                           yFract="0.71283061"
                           z3="10.80562"
                           zFract="0.44460662"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21926"
                           xFract="0.1439771"
                           y3="0.7047"
                           yFract="0.14367236"
                           z3="5.89213"
                           zFract="0.24974154"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62812"
                           xFract="0.14397619"
                           y3="3.15715"
                           yFract="0.64367134"
                           z3="6.06523"
                           zFract="0.24974195"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04759"
                           xFract="0.64397728"
                           y3="0.7047"
                           yFract="0.14367236"
                           z3="6.06523"
                           zFract="0.24974192"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45645"
                           xFract="0.64397637"
                           y3="3.15715"
                           yFract="0.64367134"
                           z3="6.23832"
                           zFract="0.24974191"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.7655"
                           xFract="0.3263623"
                           y3="1.60039"
                           yFract="0.32628325"
                           z3="8.32854"
                           zFract="0.34933784"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.17437"
                           xFract="0.32636215"
                           y3="4.05285"
                           yFract="0.82628427"
                           z3="8.50163"
                           zFract="0.34933779"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.59383"
                           xFract="0.82636248"
                           y3="1.60039"
                           yFract="0.32628325"
                           z3="8.50163"
                           zFract="0.3493378"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.0027"
                           xFract="0.82636232"
                           y3="4.05285"
                           yFract="0.82628427"
                           z3="8.67472"
                           zFract="0.34933774"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.45962"
                           xFract="0.81047055"
                           y3="1.52325"
                           yFract="0.31055616"
                           z3="10.52501"
                           zFract="0.43704625"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.86849"
                           xFract="0.81047141"
                           y3="3.9757"
                           yFract="0.81055514"
                           z3="10.6981"
                           zFract="0.43704621"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63129"
                           xFract="0.31047038"
                           y3="1.52325"
                           yFract="0.31055616"
                           z3="10.35192"
                           zFract="0.4370463"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.04016"
                           xFract="0.31047124"
                           y3="3.9757"
                           yFract="0.81055514"
                           z3="10.52501"
                           zFract="0.43704626"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.79938"
                           xFract="0.21214215"
                           y3="1.04333"
                           yFract="0.21271134"
                           z3="10.45627"
                           zFract="0.44447323"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.20825"
                           xFract="0.21214301"
                           y3="3.49578"
                           yFract="0.71271032"
                           z3="10.62937"
                           zFract="0.44447362"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.62771"
                           xFract="0.71214233"
                           y3="1.04333"
                           yFract="0.21271134"
                           z3="10.62937"
                           zFract="0.44447361"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.03658"
                           xFract="0.71214319"
                           y3="3.49578"
                           yFract="0.71271032"
                           z3="10.80246"
                           zFract="0.44447357"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21931"
                           xFract="0.14399"
                           y3="0.70466"
                           yFract="0.14366421"
                           z3="5.88854"
                           zFract="0.24958669"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62818"
                           xFract="0.14399086"
                           y3="3.15711"
                           yFract="0.64366319"
                           z3="6.06163"
                           zFract="0.24958665"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04764"
                           xFract="0.64399018"
                           y3="0.70466"
                           yFract="0.14366421"
                           z3="6.06163"
                           zFract="0.24958664"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45651"
                           xFract="0.64399104"
                           y3="3.15711"
                           yFract="0.64366319"
                           z3="6.23472"
                           zFract="0.2495866"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.76163"
                           xFract="0.32590869"
                           y3="1.59812"
                           yFract="0.32582045"
                           z3="8.32702"
                           zFract="0.34928599"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.1705"
                           xFract="0.32590955"
                           y3="4.05057"
                           yFract="0.82581943"
                           z3="8.50011"
                           zFract="0.34928595"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.58996"
                           xFract="0.82590886"
                           y3="1.59812"
                           yFract="0.32582045"
                           z3="8.50011"
                           zFract="0.34928594"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="6.99883"
                           xFract="0.82590972"
                           y3="4.05057"
                           yFract="0.82581943"
                           z3="8.6732"
                           zFract="0.3492859"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46265"
                           xFract="0.81083051"
                           y3="1.52498"
                           yFract="0.31090886"
                           z3="10.52629"
                           zFract="0.4370908"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87152"
                           xFract="0.81083137"
                           y3="3.97743"
                           yFract="0.81090785"
                           z3="10.69938"
                           zFract="0.43709076"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63432"
                           xFract="0.31083033"
                           y3="1.52498"
                           yFract="0.31090886"
                           z3="10.3532"
                           zFract="0.43709085"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.04319"
                           xFract="0.3108312"
                           y3="3.97743"
                           yFract="0.81090785"
                           z3="10.52629"
                           zFract="0.43709081"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.79986"
                           xFract="0.21219451"
                           y3="1.04365"
                           yFract="0.21277659"
                           z3="10.45802"
                           zFract="0.44454692"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.20873"
                           xFract="0.21219435"
                           y3="3.49611"
                           yFract="0.7127776"
                           z3="10.63111"
                           zFract="0.44454687"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.62819"
                           xFract="0.71219468"
                           y3="1.04365"
                           yFract="0.21277659"
                           z3="10.63111"
                           zFract="0.44454688"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.03706"
                           xFract="0.71219453"
                           y3="3.49611"
                           yFract="0.7127776"
                           z3="10.8042"
                           zFract="0.44454682"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21935"
                           xFract="0.143992"
                           y3="0.70471"
                           yFract="0.1436744"
                           z3="5.89001"
                           zFract="0.24964988"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62822"
                           xFract="0.14399184"
                           y3="3.15717"
                           yFract="0.64367542"
                           z3="6.0631"
                           zFract="0.24964983"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04768"
                           xFract="0.64399217"
                           y3="0.70471"
                           yFract="0.1436744"
                           z3="6.0631"
                           zFract="0.24964984"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45655"
                           xFract="0.64399202"
                           y3="3.15717"
                           yFract="0.64367542"
                           z3="6.23619"
                           zFract="0.24964978"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.76333"
                           xFract="0.32610868"
                           y3="1.59911"
                           yFract="0.32602229"
                           z3="8.32748"
                           zFract="0.34929982"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.1722"
                           xFract="0.32610954"
                           y3="4.05156"
                           yFract="0.82602127"
                           z3="8.50057"
                           zFract="0.34929978"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.59166"
                           xFract="0.82610885"
                           y3="1.59911"
                           yFract="0.32602229"
                           z3="8.50057"
                           zFract="0.34929978"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.00053"
                           xFract="0.82610971"
                           y3="4.05156"
                           yFract="0.82602127"
                           z3="8.67366"
                           zFract="0.34929974"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46227"
                           xFract="0.81078466"
                           y3="1.52477"
                           yFract="0.31086605"
                           z3="10.52571"
                           zFract="0.43706712"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.87113"
                           xFract="0.81078375"
                           y3="3.97722"
                           yFract="0.81086503"
                           z3="10.6988"
                           zFract="0.4370671"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63394"
                           xFract="0.31078448"
                           y3="1.52477"
                           yFract="0.31086605"
                           z3="10.35262"
                           zFract="0.43706716"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.0428"
                           xFract="0.31078358"
                           y3="3.97722"
                           yFract="0.81086503"
                           z3="10.52571"
                           zFract="0.43706715"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.79869"
                           xFract="0.21205775"
                           y3="1.04296"
                           yFract="0.21263591"
                           z3="10.45747"
                           zFract="0.44452735"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.20756"
                           xFract="0.21205861"
                           y3="3.49541"
                           yFract="0.71263489"
                           z3="10.63056"
                           zFract="0.44452731"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.62702"
                           xFract="0.71205792"
                           y3="1.04296"
                           yFract="0.21263591"
                           z3="10.63056"
                           zFract="0.4445273"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.03589"
                           xFract="0.71205878"
                           y3="3.49541"
                           yFract="0.71263489"
                           z3="10.80365"
                           zFract="0.44452726"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21946"
                           xFract="0.14399316"
                           y3="0.70489"
                           yFract="0.1437111"
                           z3="5.89441"
                           zFract="0.24983902"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62833"
                           xFract="0.14399402"
                           y3="3.15734"
                           yFract="0.64371008"
                           z3="6.0675"
                           zFract="0.24983898"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04779"
                           xFract="0.64399334"
                           y3="0.70489"
                           yFract="0.1437111"
                           z3="6.0675"
                           zFract="0.24983897"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45666"
                           xFract="0.6439942"
                           y3="3.15734"
                           yFract="0.64371008"
                           z3="6.24059"
                           zFract="0.24983893"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.76843"
                           xFract="0.32670864"
                           y3="1.60208"
                           yFract="0.32662781"
                           z3="8.32886"
                           zFract="0.34934133"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.1773"
                           xFract="0.32670951"
                           y3="4.05453"
                           yFract="0.82662679"
                           z3="8.50195"
                           zFract="0.34934129"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.59676"
                           xFract="0.82670882"
                           y3="1.60208"
                           yFract="0.32662781"
                           z3="8.50195"
                           zFract="0.34934128"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.00563"
                           xFract="0.82670968"
                           y3="4.05453"
                           yFract="0.82662679"
                           z3="8.67504"
                           zFract="0.34934124"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.46111"
                           xFract="0.81064459"
                           y3="1.52413"
                           yFract="0.31073557"
                           z3="10.52398"
                           zFract="0.43699657"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.86998"
                           xFract="0.81064443"
                           y3="3.97659"
                           yFract="0.81073659"
                           z3="10.69707"
                           zFract="0.43699651"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63278"
                           xFract="0.31064441"
                           y3="1.52413"
                           yFract="0.31073557"
                           z3="10.35089"
                           zFract="0.43699661"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.04165"
                           xFract="0.31064426"
                           y3="3.97659"
                           yFract="0.81073659"
                           z3="10.52398"
                           zFract="0.43699656"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.79519"
                           xFract="0.21165126"
                           y3="1.04087"
                           yFract="0.21220981"
                           z3="10.45583"
                           zFract="0.44446907"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.20405"
                           xFract="0.21165035"
                           y3="3.49332"
                           yFract="0.71220879"
                           z3="10.62892"
                           zFract="0.44446905"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.62352"
                           xFract="0.71165144"
                           y3="1.04087"
                           yFract="0.21220981"
                           z3="10.62892"
                           zFract="0.44446902"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.03238"
                           xFract="0.71165053"
                           y3="3.49332"
                           yFract="0.71220879"
                           z3="10.80201"
                           zFract="0.44446901"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21968"
                           xFract="0.14399752"
                           y3="0.70523"
                           yFract="0.14378042"
                           z3="5.90321"
                           zFract="0.25021733"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62854"
                           xFract="0.1439956"
                           y3="3.15769"
                           yFract="0.64378144"
                           z3="6.0763"
                           zFract="0.2502173"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.0480"
                           xFract="0.64399593"
                           y3="0.70523"
                           yFract="0.14378042"
                           z3="6.0763"
                           zFract="0.25021731"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45687"
                           xFract="0.64399578"
                           y3="3.15769"
                           yFract="0.64378144"
                           z3="6.24939"
                           zFract="0.25021725"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.77862"
                           xFract="0.32790681"
                           y3="1.60802"
                           yFract="0.32783884"
                           z3="8.33161"
                           zFract="0.34942393"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.18749"
                           xFract="0.32790666"
                           y3="4.06048"
                           yFract="0.82783986"
                           z3="8.5047"
                           zFract="0.34942388"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.60695"
                           xFract="0.82790699"
                           y3="1.60802"
                           yFract="0.32783884"
                           z3="8.5047"
                           zFract="0.34942389"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.01582"
                           xFract="0.82790684"
                           y3="4.06048"
                           yFract="0.82783986"
                           z3="8.67779"
                           zFract="0.34942383"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.4588"
                           xFract="0.8103652"
                           y3="1.52286"
                           yFract="0.31047664"
                           z3="10.52052"
                           zFract="0.43685543"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.86767"
                           xFract="0.81036504"
                           y3="3.97532"
                           yFract="0.81047766"
                           z3="10.69361"
                           zFract="0.43685537"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63047"
                           xFract="0.31036502"
                           y3="1.52286"
                           yFract="0.31047664"
                           z3="10.34743"
                           zFract="0.43685547"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.03934"
                           xFract="0.31036487"
                           y3="3.97532"
                           yFract="0.81047766"
                           z3="10.52052"
                           zFract="0.43685542"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.78817"
                           xFract="0.21083475"
                           y3="1.03669"
                           yFract="0.2113576"
                           z3="10.45255"
                           zFract="0.44435256"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.19704"
                           xFract="0.2108346"
                           y3="3.48915"
                           yFract="0.71135862"
                           z3="10.62564"
                           zFract="0.4443525"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.6165"
                           xFract="0.71083493"
                           y3="1.03669"
                           yFract="0.2113576"
                           z3="10.62564"
                           zFract="0.44435251"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.02537"
                           xFract="0.71083477"
                           y3="3.48915"
                           yFract="0.71135862"
                           z3="10.79873"
                           zFract="0.44435246"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
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                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <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>
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                           id="a1"
                           x3="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21961"
                           xFract="0.1439953"
                           y3="0.70513"
                           yFract="0.14376003"
                           z3="5.90062"
                           zFract="0.250106"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62848"
                           xFract="0.14399515"
                           y3="3.15759"
                           yFract="0.64376105"
                           z3="6.07371"
                           zFract="0.25010594"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04794"
                           xFract="0.64399548"
                           y3="0.70513"
                           yFract="0.14376003"
                           z3="6.07371"
                           zFract="0.25010595"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45681"
                           xFract="0.64399533"
                           y3="3.15759"
                           yFract="0.64376105"
                           z3="6.2468"
                           zFract="0.2501059"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.77562"
                           xFract="0.32755419"
                           y3="1.60627"
                           yFract="0.32748205"
                           z3="8.3308"
                           zFract="0.3493996"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.18449"
                           xFract="0.32755404"
                           y3="4.05873"
                           yFract="0.82748307"
                           z3="8.50389"
                           zFract="0.34939954"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.60395"
                           xFract="0.82755437"
                           y3="1.60627"
                           yFract="0.32748205"
                           z3="8.50389"
                           zFract="0.34939955"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.01282"
                           xFract="0.82755421"
                           y3="4.05873"
                           yFract="0.82748307"
                           z3="8.67698"
                           zFract="0.3493995"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.45948"
                           xFract="0.81044783"
                           y3="1.52323"
                           yFract="0.31055208"
                           z3="10.52154"
                           zFract="0.43689704"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.86835"
                           xFract="0.81044768"
                           y3="3.97569"
                           yFract="0.8105531"
                           z3="10.69463"
                           zFract="0.43689699"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.63115"
                           xFract="0.31044766"
                           y3="1.52323"
                           yFract="0.31055208"
                           z3="10.34845"
                           zFract="0.43689709"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.04002"
                           xFract="0.3104475"
                           y3="3.97569"
                           yFract="0.8105531"
                           z3="10.52154"
                           zFract="0.43689703"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.79024"
                           xFract="0.21107578"
                           y3="1.03792"
                           yFract="0.21160837"
                           z3="10.45352"
                           zFract="0.44438704"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.19911"
                           xFract="0.21107562"
                           y3="3.49038"
                           yFract="0.71160939"
                           z3="10.62661"
                           zFract="0.44438699"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.61857"
                           xFract="0.71107595"
                           y3="1.03792"
                           yFract="0.21160837"
                           z3="10.62661"
                           zFract="0.444387"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.02743"
                           xFract="0.71107403"
                           y3="3.49038"
                           yFract="0.71160939"
                           z3="10.7997"
                           zFract="0.44438697"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.21988"
                           xFract="0.14402374"
                           y3="0.70532"
                           yFract="0.14379876"
                           z3="5.90069"
                           zFract="0.25010801"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62875"
                           xFract="0.14402359"
                           y3="3.15778"
                           yFract="0.64379978"
                           z3="6.07378"
                           zFract="0.25010796"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04821"
                           xFract="0.64402392"
                           y3="0.70532"
                           yFract="0.14379876"
                           z3="6.07378"
                           zFract="0.25010797"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45708"
                           xFract="0.64402376"
                           y3="3.15778"
                           yFract="0.64379978"
                           z3="6.24687"
                           zFract="0.25010791"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.77677"
                           xFract="0.32768945"
                           y3="1.60694"
                           yFract="0.32761865"
                           z3="8.33051"
                           zFract="0.34938304"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.18564"
                           xFract="0.32768929"
                           y3="4.0594"
                           yFract="0.82761967"
                           z3="8.5036"
                           zFract="0.34938298"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.6051"
                           xFract="0.82768962"
                           y3="1.60694"
                           yFract="0.32761865"
                           z3="8.5036"
                           zFract="0.34938299"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.01397"
                           xFract="0.82768947"
                           y3="4.0594"
                           yFract="0.82761967"
                           z3="8.67669"
                           zFract="0.34938294"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.45903"
                           xFract="0.8103957"
                           y3="1.52296"
                           yFract="0.31049703"
                           z3="10.52229"
                           zFract="0.43693098"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.8679"
                           xFract="0.81039656"
                           y3="3.97541"
                           yFract="0.81049601"
                           z3="10.69538"
                           zFract="0.43693094"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.6307"
                           xFract="0.31039553"
                           y3="1.52296"
                           yFract="0.31049703"
                           z3="10.3492"
                           zFract="0.43693103"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.03957"
                           xFract="0.31039639"
                           y3="3.97541"
                           yFract="0.81049601"
                           z3="10.52229"
                           zFract="0.43693099"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.78961"
                           xFract="0.21100198"
                           y3="1.03755"
                           yFract="0.21153293"
                           z3="10.45306"
                           zFract="0.44436944"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.19847"
                           xFract="0.21100107"
                           y3="3.4900"
                           yFract="0.71153191"
                           z3="10.62616"
                           zFract="0.44436985"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.61793"
                           xFract="0.71100039"
                           y3="1.03755"
                           yFract="0.21153293"
                           z3="10.62616"
                           zFract="0.44436985"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.0268"
                           xFract="0.71100125"
                           y3="3.4900"
                           yFract="0.71153191"
                           z3="10.79925"
                           zFract="0.44436981"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.22068"
                           xFract="0.14410728"
                           y3="0.70589"
                           yFract="0.14391497"
                           z3="5.90092"
                           zFract="0.25011495"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.62955"
                           xFract="0.14410814"
                           y3="3.15834"
                           yFract="0.64391396"
                           z3="6.07402"
                           zFract="0.25011534"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.04901"
                           xFract="0.64410746"
                           y3="0.70589"
                           yFract="0.14391497"
                           z3="6.07402"
                           zFract="0.25011533"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45788"
                           xFract="0.64410832"
                           y3="3.15834"
                           yFract="0.64391396"
                           z3="6.24711"
                           zFract="0.25011529"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.78022"
                           xFract="0.32809522"
                           y3="1.60895"
                           yFract="0.32802844"
                           z3="8.32963"
                           zFract="0.34933293"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.18909"
                           xFract="0.32809608"
                           y3="4.0614"
                           yFract="0.82802743"
                           z3="8.50272"
                           zFract="0.34933288"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.60855"
                           xFract="0.8280954"
                           y3="1.60895"
                           yFract="0.32802844"
                           z3="8.50272"
                           zFract="0.34933288"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.01742"
                           xFract="0.82809626"
                           y3="4.0614"
                           yFract="0.82802743"
                           z3="8.67581"
                           zFract="0.34933284"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.45768"
                           xFract="0.81024134"
                           y3="1.52213"
                           yFract="0.31032781"
                           z3="10.52453"
                           zFract="0.43703239"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.86655"
                           xFract="0.8102422"
                           y3="3.97458"
                           yFract="0.81032679"
                           z3="10.69762"
                           zFract="0.43703234"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.62935"
                           xFract="0.31024116"
                           y3="1.52213"
                           yFract="0.31032781"
                           z3="10.35144"
                           zFract="0.43703243"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.03822"
                           xFract="0.31024202"
                           y3="3.97458"
                           yFract="0.81032679"
                           z3="10.52453"
                           zFract="0.43703239"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.78771"
                           xFract="0.21078085"
                           y3="1.03642"
                           yFract="0.21130255"
                           z3="10.45171"
                           zFract="0.44431797"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.19658"
                           xFract="0.2107807"
                           y3="3.48888"
                           yFract="0.71130357"
                           z3="10.6248"
                           zFract="0.44431791"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.61604"
                           xFract="0.71078103"
                           y3="1.03642"
                           yFract="0.21130255"
                           z3="10.6248"
                           zFract="0.44431792"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.02491"
                           xFract="0.71078087"
                           y3="3.48888"
                           yFract="0.71130357"
                           z3="10.79789"
                           zFract="0.44431787"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.22229"
                           xFract="0.14427714"
                           y3="0.70702"
                           yFract="0.14414536"
                           z3="5.90139"
                           zFract="0.25012924"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63116"
                           xFract="0.144278"
                           y3="3.15947"
                           yFract="0.64414434"
                           z3="6.07448"
                           zFract="0.2501292"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05062"
                           xFract="0.64427732"
                           y3="0.70702"
                           yFract="0.14414536"
                           z3="6.07448"
                           zFract="0.25012919"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.45949"
                           xFract="0.64427818"
                           y3="3.15947"
                           yFract="0.64414434"
                           z3="6.24757"
                           zFract="0.25012915"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.78713"
                           xFract="0.32890954"
                           y3="1.61296"
                           yFract="0.32884599"
                           z3="8.32786"
                           zFract="0.34923226"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.1960"
                           xFract="0.32891041"
                           y3="4.06541"
                           yFract="0.82884497"
                           z3="8.50096"
                           zFract="0.34923265"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.61546"
                           xFract="0.82890972"
                           y3="1.61296"
                           yFract="0.32884599"
                           z3="8.50096"
                           zFract="0.34923264"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.02433"
                           xFract="0.82891058"
                           y3="4.06541"
                           yFract="0.82884497"
                           z3="8.67405"
                           zFract="0.3492326"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.45497"
                           xFract="0.80993084"
                           y3="1.52047"
                           yFract="0.30998938"
                           z3="10.52903"
                           zFract="0.43723609"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.86384"
                           xFract="0.8099317"
                           y3="3.97292"
                           yFract="0.80998836"
                           z3="10.70212"
                           zFract="0.43723604"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.62665"
                           xFract="0.30993243"
                           y3="1.52047"
                           yFract="0.30998938"
                           z3="10.35593"
                           zFract="0.43723567"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.03551"
                           xFract="0.30993153"
                           y3="3.97292"
                           yFract="0.80998836"
                           z3="10.52903"
                           zFract="0.43723609"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.78392"
                           xFract="0.21033935"
                           y3="1.03417"
                           yFract="0.21084383"
                           z3="10.44899"
                           zFract="0.44421414"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.19279"
                           xFract="0.21033919"
                           y3="3.48663"
                           yFract="0.71084485"
                           z3="10.62208"
                           zFract="0.44421408"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.61225"
                           xFract="0.71033952"
                           y3="1.03417"
                           yFract="0.21084383"
                           z3="10.62208"
                           zFract="0.44421409"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.02111"
                           xFract="0.7103376"
                           y3="3.48663"
                           yFract="0.71084485"
                           z3="10.79517"
                           zFract="0.44421406"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.22317"
                           xFract="0.14437482"
                           y3="0.70759"
                           yFract="0.14426157"
                           z3="5.90031"
                           zFract="0.25007948"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63204"
                           xFract="0.14437568"
                           y3="3.16004"
                           yFract="0.64426055"
                           z3="6.0734"
                           zFract="0.25007944"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.0515"
                           xFract="0.644375"
                           y3="0.70759"
                           yFract="0.14426157"
                           z3="6.0734"
                           zFract="0.25007944"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.46037"
                           xFract="0.64437586"
                           y3="3.16004"
                           yFract="0.64426055"
                           z3="6.24649"
                           zFract="0.2500794"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.78942"
                           xFract="0.32918032"
                           y3="1.61428"
                           yFract="0.32911511"
                           z3="8.32899"
                           zFract="0.34927292"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.19829"
                           xFract="0.32918118"
                           y3="4.06673"
                           yFract="0.82911409"
                           z3="8.50208"
                           zFract="0.34927288"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.61775"
                           xFract="0.8291805"
                           y3="1.61428"
                           yFract="0.32911511"
                           z3="8.50208"
                           zFract="0.34927287"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.02661"
                           xFract="0.82917959"
                           y3="4.06673"
                           yFract="0.82911409"
                           z3="8.67517"
                           zFract="0.34927286"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.45368"
                           xFract="0.80977896"
                           y3="1.51972"
                           yFract="0.30983647"
                           z3="10.52973"
                           zFract="0.43727081"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.86255"
                           xFract="0.80977982"
                           y3="3.97217"
                           yFract="0.80983545"
                           z3="10.70282"
                           zFract="0.43727077"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.62536"
                           xFract="0.30978055"
                           y3="1.51972"
                           yFract="0.30983647"
                           z3="10.35663"
                           zFract="0.4372704"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.03422"
                           xFract="0.30977964"
                           y3="3.97217"
                           yFract="0.80983545"
                           z3="10.52973"
                           zFract="0.43727082"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.78297"
                           xFract="0.21022929"
                           y3="1.0336"
                           yFract="0.21072762"
                           z3="10.44794"
                           zFract="0.44417224"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.19184"
                           xFract="0.21023015"
                           y3="3.48605"
                           yFract="0.7107266"
                           z3="10.62103"
                           zFract="0.4441722"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.6113"
                           xFract="0.71022947"
                           y3="1.0336"
                           yFract="0.21072762"
                           z3="10.62103"
                           zFract="0.4441722"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.02017"
                           xFract="0.71023033"
                           y3="3.48605"
                           yFract="0.7107266"
                           z3="10.79412"
                           zFract="0.44417216"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.22582"
                           xFract="0.14466963"
                           y3="0.7093"
                           yFract="0.1446102"
                           z3="5.89708"
                           zFract="0.24993062"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63469"
                           xFract="0.14466948"
                           y3="3.16176"
                           yFract="0.64461122"
                           z3="6.07017"
                           zFract="0.24993056"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05415"
                           xFract="0.64466981"
                           y3="0.7093"
                           yFract="0.1446102"
                           z3="6.07017"
                           zFract="0.24993057"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.46302"
                           xFract="0.64466966"
                           y3="3.16176"
                           yFract="0.64461122"
                           z3="6.24326"
                           zFract="0.24993052"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.79627"
                           xFract="0.32998912"
                           y3="1.61824"
                           yFract="0.32992247"
                           z3="8.33236"
                           zFract="0.34939409"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.20514"
                           xFract="0.32998897"
                           y3="4.0707"
                           yFract="0.82992348"
                           z3="8.50545"
                           zFract="0.34939404"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.6246"
                           xFract="0.8299893"
                           y3="1.61824"
                           yFract="0.32992247"
                           z3="8.50545"
                           zFract="0.34939405"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.03347"
                           xFract="0.82998914"
                           y3="4.0707"
                           yFract="0.82992348"
                           z3="8.67854"
                           zFract="0.34939399"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44981"
                           xFract="0.80932433"
                           y3="1.51746"
                           yFract="0.30937571"
                           z3="10.53183"
                           zFract="0.43737502"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85868"
                           xFract="0.80932519"
                           y3="3.96991"
                           yFract="0.80937469"
                           z3="10.70492"
                           zFract="0.43737498"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.62149"
                           xFract="0.30932592"
                           y3="1.51746"
                           yFract="0.30937571"
                           z3="10.35873"
                           zFract="0.43737461"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.03035"
                           xFract="0.30932501"
                           y3="3.96991"
                           yFract="0.80937469"
                           z3="10.53183"
                           zFract="0.43737502"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.78014"
                           xFract="0.20990469"
                           y3="1.03187"
                           yFract="0.21037491"
                           z3="10.44477"
                           zFract="0.44404568"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18901"
                           xFract="0.20990454"
                           y3="3.48433"
                           yFract="0.71037593"
                           z3="10.61786"
                           zFract="0.44404562"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60847"
                           xFract="0.70990487"
                           y3="1.03187"
                           yFract="0.21037491"
                           z3="10.61786"
                           zFract="0.44404563"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01734"
                           xFract="0.70990471"
                           y3="3.48433"
                           yFract="0.71037593"
                           z3="10.79095"
                           zFract="0.44404558"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.22709"
                           xFract="0.14480986"
                           y3="0.71013"
                           yFract="0.14477941"
                           z3="5.89552"
                           zFract="0.24985874"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63596"
                           xFract="0.1448097"
                           y3="3.16259"
                           yFract="0.64478043"
                           z3="6.06861"
                           zFract="0.24985869"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05542"
                           xFract="0.64481003"
                           y3="0.71013"
                           yFract="0.14477941"
                           z3="6.06861"
                           zFract="0.2498587"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.46429"
                           xFract="0.64480988"
                           y3="3.16259"
                           yFract="0.64478043"
                           z3="6.24171"
                           zFract="0.24985907"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.79958"
                           xFract="0.3303803"
                           y3="1.62015"
                           yFract="0.33031187"
                           z3="8.33398"
                           zFract="0.34945229"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.20845"
                           xFract="0.33038014"
                           y3="4.07261"
                           yFract="0.83031289"
                           z3="8.50707"
                           zFract="0.34945223"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.62791"
                           xFract="0.83038047"
                           y3="1.62015"
                           yFract="0.33031187"
                           z3="8.50707"
                           zFract="0.34945224"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.03678"
                           xFract="0.83038032"
                           y3="4.07261"
                           yFract="0.83031289"
                           z3="8.68016"
                           zFract="0.34945218"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44795"
                           xFract="0.80910621"
                           y3="1.51637"
                           yFract="0.30915348"
                           z3="10.53284"
                           zFract="0.43742513"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85682"
                           xFract="0.80910707"
                           y3="3.96882"
                           yFract="0.80915246"
                           z3="10.70593"
                           zFract="0.43742509"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61962"
                           xFract="0.30910603"
                           y3="1.51637"
                           yFract="0.30915348"
                           z3="10.35975"
                           zFract="0.43742518"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02849"
                           xFract="0.30910689"
                           y3="3.96882"
                           yFract="0.80915246"
                           z3="10.53284"
                           zFract="0.43742514"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77878"
                           xFract="0.20974856"
                           y3="1.03104"
                           yFract="0.21020569"
                           z3="10.44325"
                           zFract="0.443985"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18765"
                           xFract="0.2097484"
                           y3="3.4835"
                           yFract="0.71020671"
                           z3="10.61634"
                           zFract="0.44398495"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60711"
                           xFract="0.70974873"
                           y3="1.03104"
                           yFract="0.21020569"
                           z3="10.61634"
                           zFract="0.44398496"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01598"
                           xFract="0.70974858"
                           y3="3.4835"
                           yFract="0.71020671"
                           z3="10.78943"
                           zFract="0.4439849"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.2288"
                           xFract="0.14500552"
                           y3="0.71118"
                           yFract="0.14499349"
                           z3="5.89426"
                           zFract="0.2497983"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63767"
                           xFract="0.14500537"
                           y3="3.16364"
                           yFract="0.64499451"
                           z3="6.06735"
                           zFract="0.24979825"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05713"
                           xFract="0.6450057"
                           y3="0.71118"
                           yFract="0.14499349"
                           z3="6.06735"
                           zFract="0.24979826"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.4660"
                           xFract="0.64500554"
                           y3="3.16364"
                           yFract="0.64499451"
                           z3="6.24044"
                           zFract="0.2497982"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80249"
                           xFract="0.3307231"
                           y3="1.62184"
                           yFract="0.33065642"
                           z3="8.33684"
                           zFract="0.34956533"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21136"
                           xFract="0.33072397"
                           y3="4.07429"
                           yFract="0.8306554"
                           z3="8.50993"
                           zFract="0.34956529"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63082"
                           xFract="0.83072328"
                           y3="1.62184"
                           yFract="0.33065642"
                           z3="8.50993"
                           zFract="0.34956529"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.03969"
                           xFract="0.83072414"
                           y3="4.07429"
                           yFract="0.8306554"
                           z3="8.68302"
                           zFract="0.34956525"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44825"
                           xFract="0.80913995"
                           y3="1.51656"
                           yFract="0.30919222"
                           z3="10.53239"
                           zFract="0.43740465"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85712"
                           xFract="0.80914081"
                           y3="3.96901"
                           yFract="0.8091912"
                           z3="10.70548"
                           zFract="0.43740461"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61992"
                           xFract="0.30913977"
                           y3="1.51656"
                           yFract="0.30919222"
                           z3="10.35929"
                           zFract="0.43740427"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02879"
                           xFract="0.30914063"
                           y3="3.96901"
                           yFract="0.8091912"
                           z3="10.53239"
                           zFract="0.43740466"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77545"
                           xFract="0.20936095"
                           y3="1.02906"
                           yFract="0.20980201"
                           z3="10.44191"
                           zFract="0.44393904"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18431"
                           xFract="0.20936005"
                           y3="3.48151"
                           yFract="0.709801"
                           z3="10.6150"
                           zFract="0.44393903"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60377"
                           xFract="0.70935936"
                           y3="1.02906"
                           yFract="0.20980201"
                           z3="10.6150"
                           zFract="0.44393902"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01264"
                           xFract="0.70936022"
                           y3="3.48151"
                           yFract="0.709801"
                           z3="10.78809"
                           zFract="0.44393898"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.22836"
                           xFract="0.14495516"
                           y3="0.71091"
                           yFract="0.14493844"
                           z3="5.89459"
                           zFract="0.2498141"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63722"
                           xFract="0.14495323"
                           y3="3.16337"
                           yFract="0.64493946"
                           z3="6.06768"
                           zFract="0.24981407"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05669"
                           xFract="0.64495533"
                           y3="0.71091"
                           yFract="0.14493844"
                           z3="6.06768"
                           zFract="0.24981406"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.46555"
                           xFract="0.64495341"
                           y3="3.16337"
                           yFract="0.64493946"
                           z3="6.24077"
                           zFract="0.24981403"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80174"
                           xFract="0.3306352"
                           y3="1.6214"
                           yFract="0.33056672"
                           z3="8.33609"
                           zFract="0.34953565"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.2106"
                           xFract="0.33063328"
                           y3="4.07386"
                           yFract="0.83056774"
                           z3="8.50919"
                           zFract="0.34953605"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63006"
                           xFract="0.83063361"
                           y3="1.6214"
                           yFract="0.33056672"
                           z3="8.50919"
                           zFract="0.34953606"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.03893"
                           xFract="0.83063346"
                           y3="4.07386"
                           yFract="0.83056774"
                           z3="8.68228"
                           zFract="0.349536"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44817"
                           xFract="0.80913088"
                           y3="1.51651"
                           yFract="0.30918202"
                           z3="10.5325"
                           zFract="0.43740968"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85704"
                           xFract="0.80913174"
                           y3="3.96896"
                           yFract="0.809181"
                           z3="10.70559"
                           zFract="0.43740964"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61984"
                           xFract="0.30913071"
                           y3="1.51651"
                           yFract="0.30918202"
                           z3="10.35941"
                           zFract="0.43740973"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02871"
                           xFract="0.30913157"
                           y3="3.96896"
                           yFract="0.809181"
                           z3="10.5325"
                           zFract="0.43740969"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77631"
                           xFract="0.20946119"
                           y3="1.02957"
                           yFract="0.20990599"
                           z3="10.44226"
                           zFract="0.44395108"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18518"
                           xFract="0.20946104"
                           y3="3.48203"
                           yFract="0.70990701"
                           z3="10.61535"
                           zFract="0.44395103"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60464"
                           xFract="0.70946137"
                           y3="1.02957"
                           yFract="0.20990599"
                           z3="10.61535"
                           zFract="0.44395104"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01351"
                           xFract="0.70946121"
                           y3="3.48203"
                           yFract="0.70990701"
                           z3="10.78844"
                           zFract="0.44395098"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.22925"
                           xFract="0.14505968"
                           y3="0.71143"
                           yFract="0.14504446"
                           z3="5.89487"
                           zFract="0.24982303"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63812"
                           xFract="0.14505953"
                           y3="3.16389"
                           yFract="0.64504547"
                           z3="6.06797"
                           zFract="0.24982341"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05758"
                           xFract="0.64505986"
                           y3="0.71143"
                           yFract="0.14504446"
                           z3="6.06797"
                           zFract="0.24982342"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.46645"
                           xFract="0.64505971"
                           y3="3.16389"
                           yFract="0.64504547"
                           z3="6.24106"
                           zFract="0.24982336"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80252"
                           xFract="0.33072638"
                           y3="1.62186"
                           yFract="0.3306605"
                           z3="8.33711"
                           zFract="0.34957686"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21139"
                           xFract="0.33072622"
                           y3="4.07432"
                           yFract="0.83066152"
                           z3="8.5102"
                           zFract="0.34957681"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63085"
                           xFract="0.83072655"
                           y3="1.62186"
                           yFract="0.3306605"
                           z3="8.5102"
                           zFract="0.34957682"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.03972"
                           xFract="0.8307264"
                           y3="4.07432"
                           yFract="0.83066152"
                           z3="8.68329"
                           zFract="0.34957676"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44753"
                           xFract="0.80905227"
                           y3="1.51617"
                           yFract="0.30911271"
                           z3="10.5320"
                           zFract="0.43739033"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85639"
                           xFract="0.80905035"
                           y3="3.96863"
                           yFract="0.80911372"
                           z3="10.70509"
                           zFract="0.4373903"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.6192"
                           xFract="0.30905209"
                           y3="1.51617"
                           yFract="0.30911271"
                           z3="10.35891"
                           zFract="0.43739038"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02806"
                           xFract="0.30905017"
                           y3="3.96863"
                           yFract="0.80911372"
                           z3="10.5320"
                           zFract="0.43739035"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77601"
                           xFract="0.20942948"
                           y3="1.02936"
                           yFract="0.20986318"
                           z3="10.44174"
                           zFract="0.44392977"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18488"
                           xFract="0.20942933"
                           y3="3.48182"
                           yFract="0.7098642"
                           z3="10.61483"
                           zFract="0.44392972"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60434"
                           xFract="0.70942966"
                           y3="1.02936"
                           yFract="0.20986318"
                           z3="10.61483"
                           zFract="0.44392973"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.0132"
                           xFract="0.70942774"
                           y3="3.48182"
                           yFract="0.7098642"
                           z3="10.78792"
                           zFract="0.4439297"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.22993"
                           xFract="0.14513927"
                           y3="0.71183"
                           yFract="0.14512601"
                           z3="5.89509"
                           zFract="0.24983011"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63879"
                           xFract="0.14513735"
                           y3="3.16429"
                           yFract="0.64512703"
                           z3="6.06818"
                           zFract="0.24983008"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05826"
                           xFract="0.64513945"
                           y3="0.71183"
                           yFract="0.14512601"
                           z3="6.06818"
                           zFract="0.24983007"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.46712"
                           xFract="0.64513753"
                           y3="3.16429"
                           yFract="0.64512703"
                           z3="6.24128"
                           zFract="0.24983047"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80312"
                           xFract="0.3307969"
                           y3="1.62221"
                           yFract="0.33073186"
                           z3="8.33788"
                           zFract="0.34960794"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21199"
                           xFract="0.33079776"
                           y3="4.07466"
                           yFract="0.83073084"
                           z3="8.51097"
                           zFract="0.3496079"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63145"
                           xFract="0.83079708"
                           y3="1.62221"
                           yFract="0.33073186"
                           z3="8.51097"
                           zFract="0.3496079"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04032"
                           xFract="0.83079794"
                           y3="4.07466"
                           yFract="0.83073084"
                           z3="8.68406"
                           zFract="0.34960786"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44704"
                           xFract="0.80899104"
                           y3="1.51592"
                           yFract="0.30906174"
                           z3="10.53161"
                           zFract="0.43737519"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85591"
                           xFract="0.8089919"
                           y3="3.96837"
                           yFract="0.80906072"
                           z3="10.7047"
                           zFract="0.43737515"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61871"
                           xFract="0.30899086"
                           y3="1.51592"
                           yFract="0.30906174"
                           z3="10.35852"
                           zFract="0.43737524"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02758"
                           xFract="0.30899172"
                           y3="3.96837"
                           yFract="0.80906072"
                           z3="10.53161"
                           zFract="0.4373752"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77578"
                           xFract="0.20940507"
                           y3="1.0292"
                           yFract="0.20983056"
                           z3="10.44134"
                           zFract="0.44391338"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18465"
                           xFract="0.20940492"
                           y3="3.48166"
                           yFract="0.70983158"
                           z3="10.61444"
                           zFract="0.44391376"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60411"
                           xFract="0.70940525"
                           y3="1.0292"
                           yFract="0.20983056"
                           z3="10.61444"
                           zFract="0.44391377"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01298"
                           xFract="0.7094051"
                           y3="3.48166"
                           yFract="0.70983158"
                           z3="10.78753"
                           zFract="0.44391371"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23128"
                           xFract="0.1452977"
                           y3="0.71262"
                           yFract="0.14528707"
                           z3="5.89553"
                           zFract="0.24984432"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64015"
                           xFract="0.14529755"
                           y3="3.16508"
                           yFract="0.64528809"
                           z3="6.06862"
                           zFract="0.24984426"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05961"
                           xFract="0.64529788"
                           y3="0.71262"
                           yFract="0.14528707"
                           z3="6.06862"
                           zFract="0.24984427"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.46848"
                           xFract="0.64529772"
                           y3="3.16508"
                           yFract="0.64528809"
                           z3="6.24171"
                           zFract="0.24984421"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80431"
                           xFract="0.3309372"
                           y3="1.6229"
                           yFract="0.33087253"
                           z3="8.33942"
                           zFract="0.34967015"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21318"
                           xFract="0.33093704"
                           y3="4.07536"
                           yFract="0.83087355"
                           z3="8.51251"
                           zFract="0.34967009"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63264"
                           xFract="0.83093738"
                           y3="1.6229"
                           yFract="0.33087253"
                           z3="8.51251"
                           zFract="0.3496701"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04151"
                           xFract="0.83093722"
                           y3="4.07536"
                           yFract="0.83087355"
                           z3="8.6856"
                           zFract="0.34967005"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44606"
                           xFract="0.80886958"
                           y3="1.51541"
                           yFract="0.30895776"
                           z3="10.53085"
                           zFract="0.43734579"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85493"
                           xFract="0.80887044"
                           y3="3.96786"
                           yFract="0.80895674"
                           z3="10.70394"
                           zFract="0.43734575"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61773"
                           xFract="0.30886941"
                           y3="1.51541"
                           yFract="0.30895776"
                           z3="10.35776"
                           zFract="0.43734584"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.0266"
                           xFract="0.30887027"
                           y3="3.96786"
                           yFract="0.80895674"
                           z3="10.53085"
                           zFract="0.4373458"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77532"
                           xFract="0.20935524"
                           y3="1.02889"
                           yFract="0.20976736"
                           z3="10.44056"
                           zFract="0.44388144"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18419"
                           xFract="0.2093561"
                           y3="3.48134"
                           yFract="0.70976634"
                           z3="10.61365"
                           zFract="0.4438814"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60365"
                           xFract="0.70935541"
                           y3="1.02889"
                           yFract="0.20976736"
                           z3="10.61365"
                           zFract="0.44388139"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01252"
                           xFract="0.70935627"
                           y3="3.48134"
                           yFract="0.70976634"
                           z3="10.78674"
                           zFract="0.44388135"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.2306"
                           xFract="0.14521709"
                           y3="0.71223"
                           yFract="0.14520756"
                           z3="5.89531"
                           zFract="0.24983722"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.63947"
                           xFract="0.14521796"
                           y3="3.16468"
                           yFract="0.64520654"
                           z3="6.0684"
                           zFract="0.24983718"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.05893"
                           xFract="0.64521727"
                           y3="0.71223"
                           yFract="0.14520756"
                           z3="6.0684"
                           zFract="0.24983717"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.4678"
                           xFract="0.64521813"
                           y3="3.16468"
                           yFract="0.64520654"
                           z3="6.24149"
                           zFract="0.24983713"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80372"
                           xFract="0.33086844"
                           y3="1.62255"
                           yFract="0.33080118"
                           z3="8.33865"
                           zFract="0.34963904"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21258"
                           xFract="0.33086652"
                           y3="4.07501"
                           yFract="0.8308022"
                           z3="8.51174"
                           zFract="0.34963901"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63205"
                           xFract="0.83086862"
                           y3="1.62255"
                           yFract="0.33080118"
                           z3="8.51174"
                           zFract="0.34963899"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04091"
                           xFract="0.8308667"
                           y3="4.07501"
                           yFract="0.8308022"
                           z3="8.68483"
                           zFract="0.34963897"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44655"
                           xFract="0.80893082"
                           y3="1.51566"
                           yFract="0.30900873"
                           z3="10.53123"
                           zFract="0.4373605"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85542"
                           xFract="0.80893066"
                           y3="3.96812"
                           yFract="0.80900975"
                           z3="10.70432"
                           zFract="0.43736044"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61822"
                           xFract="0.30893064"
                           y3="1.51566"
                           yFract="0.30900873"
                           z3="10.35814"
                           zFract="0.43736054"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02709"
                           xFract="0.30893049"
                           y3="3.96812"
                           yFract="0.80900975"
                           z3="10.53123"
                           zFract="0.43736049"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77555"
                           xFract="0.20937965"
                           y3="1.02905"
                           yFract="0.20979998"
                           z3="10.44095"
                           zFract="0.4438974"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18442"
                           xFract="0.20938051"
                           y3="3.4815"
                           yFract="0.70979896"
                           z3="10.61404"
                           zFract="0.44389736"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60388"
                           xFract="0.70937982"
                           y3="1.02905"
                           yFract="0.20979998"
                           z3="10.61404"
                           zFract="0.44389736"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01275"
                           xFract="0.70938069"
                           y3="3.4815"
                           yFract="0.70979896"
                           z3="10.78713"
                           zFract="0.44389731"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23194"
                           xFract="0.1453768"
                           y3="0.71299"
                           yFract="0.1453625"
                           z3="5.89654"
                           zFract="0.24988555"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.6408"
                           xFract="0.14537488"
                           y3="3.16545"
                           yFract="0.64536352"
                           z3="6.06963"
                           zFract="0.24988553"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06027"
                           xFract="0.64537698"
                           y3="0.71299"
                           yFract="0.1453625"
                           z3="6.06963"
                           zFract="0.24988551"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.46913"
                           xFract="0.64537505"
                           y3="3.16545"
                           yFract="0.64536352"
                           z3="6.24272"
                           zFract="0.24988548"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80468"
                           xFract="0.33098027"
                           y3="1.62312"
                           yFract="0.33091739"
                           z3="8.33854"
                           zFract="0.34963089"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21355"
                           xFract="0.33098011"
                           y3="4.07558"
                           yFract="0.83091841"
                           z3="8.51164"
                           zFract="0.34963127"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63301"
                           xFract="0.83098044"
                           y3="1.62312"
                           yFract="0.33091739"
                           z3="8.51164"
                           zFract="0.34963128"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04188"
                           xFract="0.83098029"
                           y3="4.07558"
                           yFract="0.83091841"
                           z3="8.68473"
                           zFract="0.34963122"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44575"
                           xFract="0.80882798"
                           y3="1.51528"
                           yFract="0.30893125"
                           z3="10.53129"
                           zFract="0.43736578"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85462"
                           xFract="0.80882783"
                           y3="3.96774"
                           yFract="0.80893227"
                           z3="10.70438"
                           zFract="0.43736572"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61743"
                           xFract="0.30882957"
                           y3="1.51528"
                           yFract="0.30893125"
                           z3="10.3582"
                           zFract="0.4373658"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02629"
                           xFract="0.30882765"
                           y3="3.96774"
                           yFract="0.80893227"
                           z3="10.53129"
                           zFract="0.43736577"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77502"
                           xFract="0.20932353"
                           y3="1.02868"
                           yFract="0.20972454"
                           z3="10.44035"
                           zFract="0.4438735"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18389"
                           xFract="0.20932337"
                           y3="3.48114"
                           yFract="0.70972556"
                           z3="10.61344"
                           zFract="0.44387344"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60335"
                           xFract="0.7093237"
                           y3="1.02868"
                           yFract="0.20972454"
                           z3="10.61344"
                           zFract="0.44387345"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01222"
                           xFract="0.70932355"
                           y3="3.48114"
                           yFract="0.70972556"
                           z3="10.78653"
                           zFract="0.44387339"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23316"
                           xFract="0.14552139"
                           y3="0.71369"
                           yFract="0.14550522"
                           z3="5.89767"
                           zFract="0.24992999"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64203"
                           xFract="0.14552123"
                           y3="3.16615"
                           yFract="0.64550624"
                           z3="6.07076"
                           zFract="0.24992993"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06149"
                           xFract="0.64552156"
                           y3="0.71369"
                           yFract="0.14550522"
                           z3="6.07076"
                           zFract="0.24992994"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47036"
                           xFract="0.64552141"
                           y3="3.16615"
                           yFract="0.64550624"
                           z3="6.24385"
                           zFract="0.24992988"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80557"
                           xFract="0.33108479"
                           y3="1.62364"
                           yFract="0.3310234"
                           z3="8.33845"
                           zFract="0.34962387"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21444"
                           xFract="0.33108464"
                           y3="4.0761"
                           yFract="0.83102442"
                           z3="8.51154"
                           zFract="0.34962382"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.6339"
                           xFract="0.83108497"
                           y3="1.62364"
                           yFract="0.3310234"
                           z3="8.51154"
                           zFract="0.34962383"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04277"
                           xFract="0.83108482"
                           y3="4.0761"
                           yFract="0.83102442"
                           z3="8.68463"
                           zFract="0.34962377"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44502"
                           xFract="0.80873448"
                           y3="1.51493"
                           yFract="0.3088599"
                           z3="10.53134"
                           zFract="0.43737039"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85389"
                           xFract="0.80873432"
                           y3="3.96739"
                           yFract="0.80886092"
                           z3="10.70443"
                           zFract="0.43737034"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61669"
                           xFract="0.3087343"
                           y3="1.51493"
                           yFract="0.3088599"
                           z3="10.35825"
                           zFract="0.43737044"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02556"
                           xFract="0.30873415"
                           y3="3.96739"
                           yFract="0.80886092"
                           z3="10.53134"
                           zFract="0.43737038"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77454"
                           xFract="0.20927219"
                           y3="1.02835"
                           yFract="0.20965726"
                           z3="10.43979"
                           zFract="0.44385112"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18341"
                           xFract="0.20927203"
                           y3="3.48081"
                           yFract="0.70965828"
                           z3="10.61288"
                           zFract="0.44385107"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60287"
                           xFract="0.70927236"
                           y3="1.02835"
                           yFract="0.20965726"
                           z3="10.61288"
                           zFract="0.44385108"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01174"
                           xFract="0.70927221"
                           y3="3.48081"
                           yFract="0.70965828"
                           z3="10.78598"
                           zFract="0.44385145"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23376"
                           xFract="0.14559191"
                           y3="0.71404"
                           yFract="0.14557658"
                           z3="5.89822"
                           zFract="0.24995158"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64263"
                           xFract="0.14559277"
                           y3="3.16649"
                           yFract="0.64557556"
                           z3="6.07131"
                           zFract="0.24995154"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06209"
                           xFract="0.64559209"
                           y3="0.71404"
                           yFract="0.14557658"
                           z3="6.07131"
                           zFract="0.24995154"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47096"
                           xFract="0.64559295"
                           y3="3.16649"
                           yFract="0.64557556"
                           z3="6.2444"
                           zFract="0.24995149"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.8060"
                           xFract="0.33113542"
                           y3="1.62389"
                           yFract="0.33107437"
                           z3="8.3384"
                           zFract="0.3496202"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21487"
                           xFract="0.33113527"
                           y3="4.07635"
                           yFract="0.83107539"
                           z3="8.5115"
                           zFract="0.34962057"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63433"
                           xFract="0.8311356"
                           y3="1.62389"
                           yFract="0.33107437"
                           z3="8.5115"
                           zFract="0.34962058"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.0432"
                           xFract="0.83113544"
                           y3="4.07635"
                           yFract="0.83107539"
                           z3="8.68459"
                           zFract="0.34962053"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44467"
                           xFract="0.80868987"
                           y3="1.51476"
                           yFract="0.30882524"
                           z3="10.53136"
                           zFract="0.43737244"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85353"
                           xFract="0.80868795"
                           y3="3.96722"
                           yFract="0.80882626"
                           z3="10.70445"
                           zFract="0.43737241"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61634"
                           xFract="0.30868969"
                           y3="1.51476"
                           yFract="0.30882524"
                           z3="10.35827"
                           zFract="0.43737248"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.0252"
                           xFract="0.30868777"
                           y3="3.96722"
                           yFract="0.80882626"
                           z3="10.53136"
                           zFract="0.43737245"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.7743"
                           xFract="0.20924601"
                           y3="1.02819"
                           yFract="0.20962464"
                           z3="10.43952"
                           zFract="0.44384036"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18317"
                           xFract="0.20924687"
                           y3="3.48064"
                           yFract="0.70962362"
                           z3="10.61261"
                           zFract="0.44384032"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60263"
                           xFract="0.70924618"
                           y3="1.02819"
                           yFract="0.20962464"
                           z3="10.61261"
                           zFract="0.44384031"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.0115"
                           xFract="0.70924705"
                           y3="3.48064"
                           yFract="0.70962362"
                           z3="10.7857"
                           zFract="0.44384027"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23496"
                           xFract="0.14573499"
                           y3="0.71472"
                           yFract="0.14571521"
                           z3="5.89933"
                           zFract="0.24999523"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64383"
                           xFract="0.14573484"
                           y3="3.16718"
                           yFract="0.64571623"
                           z3="6.07242"
                           zFract="0.24999518"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06329"
                           xFract="0.64573517"
                           y3="0.71472"
                           yFract="0.14571521"
                           z3="6.07242"
                           zFract="0.24999519"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47216"
                           xFract="0.64573501"
                           y3="3.16718"
                           yFract="0.64571623"
                           z3="6.24551"
                           zFract="0.24999513"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80687"
                           xFract="0.33123743"
                           y3="1.6244"
                           yFract="0.33117835"
                           z3="8.33831"
                           zFract="0.34961324"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21574"
                           xFract="0.33123727"
                           y3="4.07686"
                           yFract="0.83117937"
                           z3="8.5114"
                           zFract="0.34961319"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.6352"
                           xFract="0.8312376"
                           y3="1.6244"
                           yFract="0.33117835"
                           z3="8.5114"
                           zFract="0.3496132"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04407"
                           xFract="0.83123745"
                           y3="4.07686"
                           yFract="0.83117937"
                           z3="8.68449"
                           zFract="0.34961314"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44395"
                           xFract="0.80859711"
                           y3="1.51442"
                           yFract="0.30875592"
                           z3="10.53141"
                           zFract="0.43737701"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85282"
                           xFract="0.80859797"
                           y3="3.96687"
                           yFract="0.8087549"
                           z3="10.70451"
                           zFract="0.4373774"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61562"
                           xFract="0.30859694"
                           y3="1.51442"
                           yFract="0.30875592"
                           z3="10.35832"
                           zFract="0.43737706"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02449"
                           xFract="0.3085978"
                           y3="3.96687"
                           yFract="0.8087549"
                           z3="10.53141"
                           zFract="0.43737702"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77383"
                           xFract="0.20919643"
                           y3="1.02786"
                           yFract="0.20955736"
                           z3="10.43898"
                           zFract="0.44381882"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.1827"
                           xFract="0.20919628"
                           y3="3.48032"
                           yFract="0.70955838"
                           z3="10.61207"
                           zFract="0.44381877"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60216"
                           xFract="0.70919661"
                           y3="1.02786"
                           yFract="0.20955736"
                           z3="10.61207"
                           zFract="0.44381878"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.01103"
                           xFract="0.70919646"
                           y3="3.48032"
                           yFract="0.70955838"
                           z3="10.78516"
                           zFract="0.44381872"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23617"
                           xFract="0.14587882"
                           y3="0.71541"
                           yFract="0.14585589"
                           z3="5.90005"
                           zFract="0.25002203"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64504"
                           xFract="0.14587969"
                           y3="3.16786"
                           yFract="0.64585487"
                           z3="6.07314"
                           zFract="0.25002199"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.0645"
                           xFract="0.645879"
                           y3="0.71541"
                           yFract="0.14585589"
                           z3="6.07314"
                           zFract="0.25002198"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47337"
                           xFract="0.64587986"
                           y3="3.16786"
                           yFract="0.64585487"
                           z3="6.24624"
                           zFract="0.25002237"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80765"
                           xFract="0.3313286"
                           y3="1.62486"
                           yFract="0.33127213"
                           z3="8.33824"
                           zFract="0.34960747"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21652"
                           xFract="0.33132845"
                           y3="4.07732"
                           yFract="0.83127315"
                           z3="8.51133"
                           zFract="0.34960741"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63598"
                           xFract="0.83132878"
                           y3="1.62486"
                           yFract="0.33127213"
                           z3="8.51133"
                           zFract="0.34960742"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04485"
                           xFract="0.83132862"
                           y3="4.07732"
                           yFract="0.83127315"
                           z3="8.68442"
                           zFract="0.34960736"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44393"
                           xFract="0.80858545"
                           y3="1.5145"
                           yFract="0.30877223"
                           z3="10.53166"
                           zFract="0.43738772"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85279"
                           xFract="0.80858455"
                           y3="3.96695"
                           yFract="0.80877121"
                           z3="10.70475"
                           zFract="0.43738771"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.6156"
                           xFract="0.30858528"
                           y3="1.5145"
                           yFract="0.30877223"
                           z3="10.35857"
                           zFract="0.43738777"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02447"
                           xFract="0.30858614"
                           y3="3.96695"
                           yFract="0.80877121"
                           z3="10.53166"
                           zFract="0.43738773"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77275"
                           xFract="0.20907457"
                           y3="1.02718"
                           yFract="0.20941873"
                           z3="10.43847"
                           zFract="0.44380072"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18162"
                           xFract="0.20907441"
                           y3="3.47964"
                           yFract="0.70941974"
                           z3="10.61156"
                           zFract="0.44380067"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60108"
                           xFract="0.70907474"
                           y3="1.02718"
                           yFract="0.20941873"
                           z3="10.61156"
                           zFract="0.44380068"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00994"
                           xFract="0.70907282"
                           y3="3.47964"
                           yFract="0.70941974"
                           z3="10.78465"
                           zFract="0.44380065"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23627"
                           xFract="0.14589142"
                           y3="0.71546"
                           yFract="0.14586608"
                           z3="5.90011"
                           zFract="0.25002428"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64513"
                           xFract="0.1458895"
                           y3="3.16792"
                           yFract="0.6458671"
                           z3="6.0732"
                           zFract="0.25002425"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06459"
                           xFract="0.64588983"
                           y3="0.71546"
                           yFract="0.14586608"
                           z3="6.0732"
                           zFract="0.25002426"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47346"
                           xFract="0.64588968"
                           y3="3.16792"
                           yFract="0.6458671"
                           z3="6.24629"
                           zFract="0.2500242"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80771"
                           xFract="0.33133515"
                           y3="1.6249"
                           yFract="0.33128029"
                           z3="8.33824"
                           zFract="0.34960725"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21658"
                           xFract="0.33133601"
                           y3="4.07735"
                           yFract="0.83127927"
                           z3="8.51133"
                           zFract="0.34960721"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63604"
                           xFract="0.83133532"
                           y3="1.6249"
                           yFract="0.33128029"
                           z3="8.51133"
                           zFract="0.3496072"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04491"
                           xFract="0.83133618"
                           y3="4.07735"
                           yFract="0.83127927"
                           z3="8.68442"
                           zFract="0.34960716"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44392"
                           xFract="0.80858369"
                           y3="1.5145"
                           yFract="0.30877223"
                           z3="10.53168"
                           zFract="0.43738861"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85279"
                           xFract="0.80858353"
                           y3="3.96696"
                           yFract="0.80877325"
                           z3="10.70477"
                           zFract="0.43738856"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.6156"
                           xFract="0.30858528"
                           y3="1.5145"
                           yFract="0.30877223"
                           z3="10.35858"
                           zFract="0.4373882"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02446"
                           xFract="0.30858335"
                           y3="3.96696"
                           yFract="0.80877325"
                           z3="10.53168"
                           zFract="0.4373886"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77266"
                           xFract="0.20906373"
                           y3="1.02713"
                           yFract="0.20940853"
                           z3="10.43843"
                           zFract="0.44379931"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18153"
                           xFract="0.2090646"
                           y3="3.47958"
                           yFract="0.70940751"
                           z3="10.61152"
                           zFract="0.44379927"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60099"
                           xFract="0.70906391"
                           y3="1.02713"
                           yFract="0.20940853"
                           z3="10.61152"
                           zFract="0.44379927"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00986"
                           xFract="0.70906477"
                           y3="3.47958"
                           yFract="0.70940751"
                           z3="10.78461"
                           zFract="0.44379922"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.2368"
                           xFract="0.14595567"
                           y3="0.71575"
                           yFract="0.14592521"
                           z3="5.89992"
                           zFract="0.25001424"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64567"
                           xFract="0.14595551"
                           y3="3.16821"
                           yFract="0.64592622"
                           z3="6.07302"
                           zFract="0.25001462"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06513"
                           xFract="0.64595584"
                           y3="0.71575"
                           yFract="0.14592521"
                           z3="6.07302"
                           zFract="0.25001463"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.4740"
                           xFract="0.64595569"
                           y3="3.16821"
                           yFract="0.64592622"
                           z3="6.24611"
                           zFract="0.25001457"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80788"
                           xFract="0.33135301"
                           y3="1.62502"
                           yFract="0.33130475"
                           z3="8.33843"
                           zFract="0.34961481"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21675"
                           xFract="0.33135387"
                           y3="4.07747"
                           yFract="0.83130373"
                           z3="8.51152"
                           zFract="0.34961477"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63621"
                           xFract="0.83135319"
                           y3="1.62502"
                           yFract="0.33130475"
                           z3="8.51152"
                           zFract="0.34961476"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04508"
                           xFract="0.83135405"
                           y3="4.07747"
                           yFract="0.83130373"
                           z3="8.68461"
                           zFract="0.34961472"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44377"
                           xFract="0.80856021"
                           y3="1.51447"
                           yFract="0.30876611"
                           z3="10.53193"
                           zFract="0.43739983"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85264"
                           xFract="0.80856108"
                           y3="3.96692"
                           yFract="0.80876509"
                           z3="10.70502"
                           zFract="0.43739979"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61544"
                           xFract="0.30856004"
                           y3="1.51447"
                           yFract="0.30876611"
                           z3="10.35884"
                           zFract="0.43739988"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02431"
                           xFract="0.3085609"
                           y3="3.96692"
                           yFract="0.80876509"
                           z3="10.53193"
                           zFract="0.43739984"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77246"
                           xFract="0.20904361"
                           y3="1.02698"
                           yFract="0.20937795"
                           z3="10.43818"
                           zFract="0.44378929"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18133"
                           xFract="0.20904346"
                           y3="3.47944"
                           yFract="0.70937897"
                           z3="10.61128"
                           zFract="0.44378966"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60079"
                           xFract="0.70904379"
                           y3="1.02698"
                           yFract="0.20937795"
                           z3="10.61128"
                           zFract="0.44378967"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00966"
                           xFract="0.70904363"
                           y3="3.47944"
                           yFract="0.70937897"
                           z3="10.78437"
                           zFract="0.44378962"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23828"
                           xFract="0.14613505"
                           y3="0.71656"
                           yFract="0.14609035"
                           z3="5.89941"
                           zFract="0.24998711"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64715"
                           xFract="0.14613489"
                           y3="3.16902"
                           yFract="0.64609137"
                           z3="6.0725"
                           zFract="0.24998706"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06661"
                           xFract="0.64613522"
                           y3="0.71656"
                           yFract="0.14609035"
                           z3="6.0725"
                           zFract="0.24998707"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47548"
                           xFract="0.64613507"
                           y3="3.16902"
                           yFract="0.64609137"
                           z3="6.24559"
                           zFract="0.24998701"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80833"
                           xFract="0.33139905"
                           y3="1.62535"
                           yFract="0.33137203"
                           z3="8.33897"
                           zFract="0.3496364"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.2172"
                           xFract="0.33139991"
                           y3="4.0778"
                           yFract="0.83137101"
                           z3="8.51206"
                           zFract="0.34963636"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63666"
                           xFract="0.83139923"
                           y3="1.62535"
                           yFract="0.33137203"
                           z3="8.51206"
                           zFract="0.34963635"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04553"
                           xFract="0.83140009"
                           y3="4.0778"
                           yFract="0.83137101"
                           z3="8.68515"
                           zFract="0.34963631"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44334"
                           xFract="0.80849334"
                           y3="1.51438"
                           yFract="0.30874776"
                           z3="10.53265"
                           zFract="0.43743215"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.8522"
                           xFract="0.80849243"
                           y3="3.96683"
                           yFract="0.80874675"
                           z3="10.70574"
                           zFract="0.43743213"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61501"
                           xFract="0.30849316"
                           y3="1.51438"
                           yFract="0.30874776"
                           z3="10.35956"
                           zFract="0.43743219"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02388"
                           xFract="0.30849402"
                           y3="3.96683"
                           yFract="0.80874675"
                           z3="10.53265"
                           zFract="0.43743215"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.7719"
                           xFract="0.20898625"
                           y3="1.02657"
                           yFract="0.20929436"
                           z3="10.43751"
                           zFract="0.44376251"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18077"
                           xFract="0.2089861"
                           y3="3.47903"
                           yFract="0.70929538"
                           z3="10.6106"
                           zFract="0.44376245"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60023"
                           xFract="0.70898643"
                           y3="1.02657"
                           yFract="0.20929436"
                           z3="10.6106"
                           zFract="0.44376246"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.0091"
                           xFract="0.70898627"
                           y3="3.47903"
                           yFract="0.70929538"
                           z3="10.78369"
                           zFract="0.4437624"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24125"
                           xFract="0.14649557"
                           y3="0.71818"
                           yFract="0.14642063"
                           z3="5.89838"
                           zFract="0.24993239"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65011"
                           xFract="0.14649466"
                           y3="3.17063"
                           yFract="0.64641961"
                           z3="6.07148"
                           zFract="0.24993281"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06958"
                           xFract="0.64649574"
                           y3="0.71818"
                           yFract="0.14642063"
                           z3="6.07148"
                           zFract="0.24993278"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47844"
                           xFract="0.64649484"
                           y3="3.17063"
                           yFract="0.64641961"
                           z3="6.24457"
                           zFract="0.24993277"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80924"
                           xFract="0.3314929"
                           y3="1.62601"
                           yFract="0.33150659"
                           z3="8.34004"
                           zFract="0.34967912"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21811"
                           xFract="0.33149376"
                           y3="4.07846"
                           yFract="0.83150557"
                           z3="8.51313"
                           zFract="0.34967908"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63757"
                           xFract="0.83149307"
                           y3="1.62601"
                           yFract="0.33150659"
                           z3="8.51313"
                           zFract="0.34967907"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04644"
                           xFract="0.83149393"
                           y3="4.07846"
                           yFract="0.83150557"
                           z3="8.68622"
                           zFract="0.34967903"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44247"
                           xFract="0.80835883"
                           y3="1.51419"
                           yFract="0.30870903"
                           z3="10.53408"
                           zFract="0.43749638"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85134"
                           xFract="0.80835868"
                           y3="3.96665"
                           yFract="0.80871005"
                           z3="10.70717"
                           zFract="0.43749633"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61414"
                           xFract="0.30835866"
                           y3="1.51419"
                           yFract="0.30870903"
                           z3="10.36098"
                           zFract="0.437496"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02301"
                           xFract="0.3083585"
                           y3="3.96665"
                           yFract="0.80871005"
                           z3="10.53408"
                           zFract="0.43749637"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77079"
                           xFract="0.20887228"
                           y3="1.02576"
                           yFract="0.20912922"
                           z3="10.43615"
                           zFract="0.44370804"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17966"
                           xFract="0.20887314"
                           y3="3.47821"
                           yFract="0.7091282"
                           z3="10.60924"
                           zFract="0.443708"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59912"
                           xFract="0.70887246"
                           y3="1.02576"
                           yFract="0.20912922"
                           z3="10.60924"
                           zFract="0.44370799"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00798"
                           xFract="0.70887155"
                           y3="3.47821"
                           yFract="0.7091282"
                           z3="10.78233"
                           zFract="0.44370798"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23925"
                           xFract="0.1462527"
                           y3="0.71709"
                           yFract="0.1461984"
                           z3="5.89908"
                           zFract="0.24996952"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64812"
                           xFract="0.14625356"
                           y3="3.16954"
                           yFract="0.64619738"
                           z3="6.07217"
                           zFract="0.24996948"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06758"
                           xFract="0.64625288"
                           y3="0.71709"
                           yFract="0.1461984"
                           z3="6.07217"
                           zFract="0.24996947"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47645"
                           xFract="0.64625374"
                           y3="3.16954"
                           yFract="0.64619738"
                           z3="6.24526"
                           zFract="0.24996943"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80863"
                           xFract="0.33143076"
                           y3="1.62556"
                           yFract="0.33141485"
                           z3="8.33931"
                           zFract="0.34964994"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.2175"
                           xFract="0.3314306"
                           y3="4.07802"
                           yFract="0.83141587"
                           z3="8.51241"
                           zFract="0.34965032"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63696"
                           xFract="0.83143094"
                           y3="1.62556"
                           yFract="0.33141485"
                           z3="8.51241"
                           zFract="0.34965033"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04583"
                           xFract="0.83143078"
                           y3="4.07802"
                           yFract="0.83141587"
                           z3="8.6855"
                           zFract="0.34965027"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44305"
                           xFract="0.80844816"
                           y3="1.51432"
                           yFract="0.30873553"
                           z3="10.53311"
                           zFract="0.43745284"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85192"
                           xFract="0.80844903"
                           y3="3.96677"
                           yFract="0.80873451"
                           z3="10.7062"
                           zFract="0.43745279"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61473"
                           xFract="0.30844976"
                           y3="1.51432"
                           yFract="0.30873553"
                           z3="10.36002"
                           zFract="0.43745285"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02359"
                           xFract="0.30844885"
                           y3="3.96677"
                           yFract="0.80873451"
                           z3="10.53311"
                           zFract="0.43745284"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77154"
                           xFract="0.20894901"
                           y3="1.02631"
                           yFract="0.20924135"
                           z3="10.43706"
                           zFract="0.44374445"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18041"
                           xFract="0.20894988"
                           y3="3.47876"
                           yFract="0.70924033"
                           z3="10.61015"
                           zFract="0.44374441"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59987"
                           xFract="0.70894919"
                           y3="1.02631"
                           yFract="0.20924135"
                           z3="10.61015"
                           zFract="0.44374441"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00874"
                           xFract="0.70895005"
                           y3="3.47876"
                           yFract="0.70924033"
                           z3="10.78325"
                           zFract="0.4437448"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24015"
                           xFract="0.14635392"
                           y3="0.71766"
                           yFract="0.14631461"
                           z3="5.89898"
                           zFract="0.24996196"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64902"
                           xFract="0.14635376"
                           y3="3.17012"
                           yFract="0.64631563"
                           z3="6.07207"
                           zFract="0.2499619"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06848"
                           xFract="0.64635409"
                           y3="0.71766"
                           yFract="0.14631461"
                           z3="6.07207"
                           zFract="0.24996191"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47735"
                           xFract="0.64635394"
                           y3="3.17012"
                           yFract="0.64631563"
                           z3="6.24516"
                           zFract="0.24996186"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80887"
                           xFract="0.33145288"
                           y3="1.62576"
                           yFract="0.33145562"
                           z3="8.3396"
                           zFract="0.34966151"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21774"
                           xFract="0.33145374"
                           y3="4.07821"
                           yFract="0.8314546"
                           z3="8.51269"
                           zFract="0.34966147"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.6372"
                           xFract="0.83145305"
                           y3="1.62576"
                           yFract="0.33145562"
                           z3="8.51269"
                           zFract="0.34966146"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04607"
                           xFract="0.83145391"
                           y3="4.07821"
                           yFract="0.8314546"
                           z3="8.68578"
                           zFract="0.34966142"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44227"
                           xFract="0.80835699"
                           y3="1.51386"
                           yFract="0.30864175"
                           z3="10.53315"
                           zFract="0.43745732"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85114"
                           xFract="0.80835785"
                           y3="3.96631"
                           yFract="0.80864073"
                           z3="10.70624"
                           zFract="0.43745728"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61394"
                           xFract="0.30835681"
                           y3="1.51386"
                           yFract="0.30864175"
                           z3="10.36006"
                           zFract="0.43745737"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02281"
                           xFract="0.30835767"
                           y3="3.96631"
                           yFract="0.80864073"
                           z3="10.53315"
                           zFract="0.43745733"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77175"
                           xFract="0.20897801"
                           y3="1.02639"
                           yFract="0.20925766"
                           z3="10.43684"
                           zFract="0.44373429"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18062"
                           xFract="0.20897786"
                           y3="3.47885"
                           yFract="0.70925868"
                           z3="10.60993"
                           zFract="0.44373423"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60008"
                           xFract="0.70897819"
                           y3="1.02639"
                           yFract="0.20925766"
                           z3="10.60993"
                           zFract="0.44373424"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00895"
                           xFract="0.70897804"
                           y3="3.47885"
                           yFract="0.70925868"
                           z3="10.78302"
                           zFract="0.44373419"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23989"
                           xFract="0.1463242"
                           y3="0.7175"
                           yFract="0.14628199"
                           z3="5.89901"
                           zFract="0.24996418"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64876"
                           xFract="0.14632506"
                           y3="3.16995"
                           yFract="0.64628097"
                           z3="6.0721"
                           zFract="0.24996414"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06822"
                           xFract="0.64632438"
                           y3="0.7175"
                           yFract="0.14628199"
                           z3="6.0721"
                           zFract="0.24996414"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47709"
                           xFract="0.64632524"
                           y3="3.16995"
                           yFract="0.64628097"
                           z3="6.24519"
                           zFract="0.2499641"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.8088"
                           xFract="0.33144659"
                           y3="1.6257"
                           yFract="0.33144339"
                           z3="8.33952"
                           zFract="0.34965834"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21767"
                           xFract="0.33144746"
                           y3="4.07815"
                           yFract="0.83144237"
                           z3="8.51261"
                           zFract="0.34965829"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63713"
                           xFract="0.83144677"
                           y3="1.6257"
                           yFract="0.33144339"
                           z3="8.51261"
                           zFract="0.34965829"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.0460"
                           xFract="0.83144763"
                           y3="4.07815"
                           yFract="0.83144237"
                           z3="8.6857"
                           zFract="0.34965825"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.4425"
                           xFract="0.80838445"
                           y3="1.51399"
                           yFract="0.30866825"
                           z3="10.53314"
                           zFract="0.43745608"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85137"
                           xFract="0.80838531"
                           y3="3.96644"
                           yFract="0.80866723"
                           z3="10.70623"
                           zFract="0.43745604"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61417"
                           xFract="0.30838427"
                           y3="1.51399"
                           yFract="0.30866825"
                           z3="10.36005"
                           zFract="0.43745613"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02304"
                           xFract="0.30838513"
                           y3="3.96644"
                           yFract="0.80866723"
                           z3="10.53314"
                           zFract="0.43745609"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77169"
                           xFract="0.20896944"
                           y3="1.02637"
                           yFract="0.20925358"
                           z3="10.4369"
                           zFract="0.44373707"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18056"
                           xFract="0.2089703"
                           y3="3.47882"
                           yFract="0.70925257"
                           z3="10.60999"
                           zFract="0.44373703"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.60002"
                           xFract="0.70896961"
                           y3="1.02637"
                           yFract="0.20925358"
                           z3="10.60999"
                           zFract="0.44373702"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00889"
                           xFract="0.70897048"
                           y3="3.47882"
                           yFract="0.70925257"
                           z3="10.78308"
                           zFract="0.44373698"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.42">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.23973"
                           xFract="0.14630607"
                           y3="0.7174"
                           yFract="0.1462616"
                           z3="5.89903"
                           zFract="0.24996562"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.6486"
                           xFract="0.14630693"
                           y3="3.16985"
                           yFract="0.64626058"
                           z3="6.07212"
                           zFract="0.24996558"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06806"
                           xFract="0.64630625"
                           y3="0.7174"
                           yFract="0.1462616"
                           z3="6.07212"
                           zFract="0.24996557"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47693"
                           xFract="0.64630711"
                           y3="3.16985"
                           yFract="0.64626058"
                           z3="6.24521"
                           zFract="0.24996553"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80876"
                           xFract="0.33144257"
                           y3="1.62567"
                           yFract="0.33143727"
                           z3="8.33947"
                           zFract="0.34965633"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21763"
                           xFract="0.33144343"
                           y3="4.07812"
                           yFract="0.83143625"
                           z3="8.51256"
                           zFract="0.34965629"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63709"
                           xFract="0.83144275"
                           y3="1.62567"
                           yFract="0.33143727"
                           z3="8.51256"
                           zFract="0.34965629"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04596"
                           xFract="0.83144361"
                           y3="4.07812"
                           yFract="0.83143625"
                           z3="8.68565"
                           zFract="0.34965624"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44263"
                           xFract="0.8083993"
                           y3="1.51407"
                           yFract="0.30868456"
                           z3="10.53313"
                           zFract="0.43745519"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.8515"
                           xFract="0.80840017"
                           y3="3.96652"
                           yFract="0.80868354"
                           z3="10.70622"
                           zFract="0.43745515"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61431"
                           xFract="0.3084009"
                           y3="1.51407"
                           yFract="0.30868456"
                           z3="10.36004"
                           zFract="0.43745521"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02317"
                           xFract="0.30839999"
                           y3="3.96652"
                           yFract="0.80868354"
                           z3="10.53313"
                           zFract="0.43745519"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77165"
                           xFract="0.2089644"
                           y3="1.02635"
                           yFract="0.20924951"
                           z3="10.43694"
                           zFract="0.44373893"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18052"
                           xFract="0.20896424"
                           y3="3.47881"
                           yFract="0.70925053"
                           z3="10.61003"
                           zFract="0.44373887"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59998"
                           xFract="0.70896457"
                           y3="1.02635"
                           yFract="0.20924951"
                           z3="10.61003"
                           zFract="0.44373888"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00885"
                           xFract="0.70896442"
                           y3="3.47881"
                           yFract="0.70925053"
                           z3="10.78312"
                           zFract="0.44373883"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.43">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24016"
                           xFract="0.14635162"
                           y3="0.7177"
                           yFract="0.14632277"
                           z3="5.89923"
                           zFract="0.24997265"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.64902"
                           xFract="0.1463497"
                           y3="3.17016"
                           yFract="0.64632379"
                           z3="6.07232"
                           zFract="0.24997262"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06848"
                           xFract="0.64635003"
                           y3="0.7177"
                           yFract="0.14632277"
                           z3="6.07232"
                           zFract="0.24997263"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47735"
                           xFract="0.64634988"
                           y3="3.17016"
                           yFract="0.64632379"
                           z3="6.24541"
                           zFract="0.24997257"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80891"
                           xFract="0.33145995"
                           y3="1.62576"
                           yFract="0.33145562"
                           z3="8.33956"
                           zFract="0.34965968"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21778"
                           xFract="0.33146081"
                           y3="4.07821"
                           yFract="0.8314546"
                           z3="8.51265"
                           zFract="0.34965964"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63724"
                           xFract="0.83146012"
                           y3="1.62576"
                           yFract="0.33145562"
                           z3="8.51265"
                           zFract="0.34965963"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04611"
                           xFract="0.83146098"
                           y3="4.07821"
                           yFract="0.8314546"
                           z3="8.68574"
                           zFract="0.34965959"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44245"
                           xFract="0.80837053"
                           y3="1.51404"
                           yFract="0.30867845"
                           z3="10.5328"
                           zFract="0.43744148"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85132"
                           xFract="0.80837139"
                           y3="3.96649"
                           yFract="0.80867743"
                           z3="10.70589"
                           zFract="0.43744144"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61413"
                           xFract="0.30837212"
                           y3="1.51404"
                           yFract="0.30867845"
                           z3="10.35971"
                           zFract="0.4374415"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02299"
                           xFract="0.30837122"
                           y3="3.96649"
                           yFract="0.80867743"
                           z3="10.5328"
                           zFract="0.43744149"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77155"
                           xFract="0.20895687"
                           y3="1.02625"
                           yFract="0.20922912"
                           z3="10.43698"
                           zFract="0.44374107"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18041"
                           xFract="0.20895597"
                           y3="3.4787"
                           yFract="0.7092281"
                           z3="10.61007"
                           zFract="0.44374105"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59987"
                           xFract="0.70895528"
                           y3="1.02625"
                           yFract="0.20922912"
                           z3="10.61007"
                           zFract="0.44374105"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00874"
                           xFract="0.70895615"
                           y3="3.4787"
                           yFract="0.7092281"
                           z3="10.78316"
                           zFract="0.44374101"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.44">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24142"
                           xFract="0.14648094"
                           y3="0.71862"
                           yFract="0.14651033"
                           z3="5.89985"
                           zFract="0.24999465"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65029"
                           xFract="0.1464818"
                           y3="3.17107"
                           yFract="0.64650931"
                           z3="6.07294"
                           zFract="0.24999461"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.06975"
                           xFract="0.64648111"
                           y3="0.71862"
                           yFract="0.14651033"
                           z3="6.07294"
                           zFract="0.24999461"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47862"
                           xFract="0.64648197"
                           y3="3.17107"
                           yFract="0.64650931"
                           z3="6.24603"
                           zFract="0.24999457"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80936"
                           xFract="0.33151106"
                           y3="1.62604"
                           yFract="0.33151271"
                           z3="8.33983"
                           zFract="0.3496697"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21823"
                           xFract="0.33151091"
                           y3="4.0785"
                           yFract="0.83151373"
                           z3="8.51292"
                           zFract="0.34966965"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63769"
                           xFract="0.83151124"
                           y3="1.62604"
                           yFract="0.33151271"
                           z3="8.51292"
                           zFract="0.34966966"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04656"
                           xFract="0.83151109"
                           y3="4.0785"
                           yFract="0.83151373"
                           z3="8.68601"
                           zFract="0.3496696"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44191"
                           xFract="0.80828522"
                           y3="1.51394"
                           yFract="0.30865806"
                           z3="10.5318"
                           zFract="0.43739994"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85078"
                           xFract="0.80828608"
                           y3="3.96639"
                           yFract="0.80865704"
                           z3="10.7049"
                           zFract="0.43740033"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61358"
                           xFract="0.30828505"
                           y3="1.51394"
                           yFract="0.30865806"
                           z3="10.35871"
                           zFract="0.43739999"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02245"
                           xFract="0.30828591"
                           y3="3.96639"
                           yFract="0.80865704"
                           z3="10.5318"
                           zFract="0.43739995"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77122"
                           xFract="0.20893205"
                           y3="1.02592"
                           yFract="0.20916184"
                           z3="10.43708"
                           zFract="0.44374675"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.18008"
                           xFract="0.20893114"
                           y3="3.47837"
                           yFract="0.70916082"
                           z3="10.61018"
                           zFract="0.44374717"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59955"
                           xFract="0.70893223"
                           y3="1.02592"
                           yFract="0.20916184"
                           z3="10.61018"
                           zFract="0.44374714"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00841"
                           xFract="0.70893132"
                           y3="3.47837"
                           yFract="0.70916082"
                           z3="10.78327"
                           zFract="0.44374713"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.45">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24169"
                           xFract="0.14650836"
                           y3="0.71882"
                           yFract="0.14655111"
                           z3="5.90001"
                           zFract="0.25000053"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65056"
                           xFract="0.1465082"
                           y3="3.17128"
                           yFract="0.64655213"
                           z3="6.0731"
                           zFract="0.25000048"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07002"
                           xFract="0.64650853"
                           y3="0.71882"
                           yFract="0.14655111"
                           z3="6.0731"
                           zFract="0.25000049"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47889"
                           xFract="0.64650838"
                           y3="3.17128"
                           yFract="0.64655213"
                           z3="6.24619"
                           zFract="0.25000043"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80946"
                           xFract="0.3315196"
                           y3="1.62613"
                           yFract="0.33153106"
                           z3="8.33976"
                           zFract="0.34966628"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21833"
                           xFract="0.33152046"
                           y3="4.07858"
                           yFract="0.83153004"
                           z3="8.51286"
                           zFract="0.34966668"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63779"
                           xFract="0.83151978"
                           y3="1.62613"
                           yFract="0.33153106"
                           z3="8.51286"
                           zFract="0.34966667"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04666"
                           xFract="0.83152064"
                           y3="4.07858"
                           yFract="0.83153004"
                           z3="8.68595"
                           zFract="0.34966663"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44183"
                           xFract="0.80827921"
                           y3="1.51386"
                           yFract="0.30864175"
                           z3="10.53172"
                           zFract="0.43739683"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.8507"
                           xFract="0.80827905"
                           y3="3.96632"
                           yFract="0.80864277"
                           z3="10.70481"
                           zFract="0.43739677"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.6135"
                           xFract="0.30827903"
                           y3="1.51386"
                           yFract="0.30864175"
                           z3="10.35863"
                           zFract="0.43739687"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02237"
                           xFract="0.30827887"
                           y3="3.96632"
                           yFract="0.80864277"
                           z3="10.53172"
                           zFract="0.43739682"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77112"
                           xFract="0.20892148"
                           y3="1.02585"
                           yFract="0.20914757"
                           z3="10.43708"
                           zFract="0.44374712"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17998"
                           xFract="0.20892057"
                           y3="3.4783"
                           yFract="0.70914655"
                           z3="10.61017"
                           zFract="0.44374711"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59944"
                           xFract="0.70891989"
                           y3="1.02585"
                           yFract="0.20914757"
                           z3="10.61017"
                           zFract="0.44374711"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00831"
                           xFract="0.70892075"
                           y3="3.4783"
                           yFract="0.70914655"
                           z3="10.78326"
                           zFract="0.44374706"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.46">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24219"
                           xFract="0.14655816"
                           y3="0.7192"
                           yFract="0.14662858"
                           z3="5.90032"
                           zFract="0.250012"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65106"
                           xFract="0.146558"
                           y3="3.17166"
                           yFract="0.6466296"
                           z3="6.07341"
                           zFract="0.25001194"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07052"
                           xFract="0.64655833"
                           y3="0.7192"
                           yFract="0.14662858"
                           z3="6.07341"
                           zFract="0.25001195"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.47939"
                           xFract="0.64655818"
                           y3="3.17166"
                           yFract="0.6466296"
                           z3="6.2465"
                           zFract="0.2500119"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.80965"
                           xFract="0.33153796"
                           y3="1.62628"
                           yFract="0.33156164"
                           z3="8.33964"
                           zFract="0.34966038"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21852"
                           xFract="0.3315378"
                           y3="4.07874"
                           yFract="0.83156266"
                           z3="8.51273"
                           zFract="0.34966032"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63798"
                           xFract="0.83153813"
                           y3="1.62628"
                           yFract="0.33156164"
                           z3="8.51273"
                           zFract="0.34966033"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04685"
                           xFract="0.83153798"
                           y3="4.07874"
                           yFract="0.83156266"
                           z3="8.68582"
                           zFract="0.34966028"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44167"
                           xFract="0.80826514"
                           y3="1.51372"
                           yFract="0.30861321"
                           z3="10.53156"
                           zFract="0.43739057"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85054"
                           xFract="0.80826498"
                           y3="3.96618"
                           yFract="0.80861423"
                           z3="10.70465"
                           zFract="0.43739051"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61334"
                           xFract="0.30826496"
                           y3="1.51372"
                           yFract="0.30861321"
                           z3="10.35847"
                           zFract="0.43739061"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02221"
                           xFract="0.30826481"
                           y3="3.96618"
                           yFract="0.80861423"
                           z3="10.53156"
                           zFract="0.43739056"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77093"
                           xFract="0.20890109"
                           y3="1.02572"
                           yFract="0.20912106"
                           z3="10.43707"
                           zFract="0.44374739"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.1798"
                           xFract="0.20890196"
                           y3="3.47817"
                           yFract="0.70912005"
                           z3="10.61016"
                           zFract="0.44374735"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59926"
                           xFract="0.70890127"
                           y3="1.02572"
                           yFract="0.20912106"
                           z3="10.61016"
                           zFract="0.44374735"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00813"
                           xFract="0.70890213"
                           y3="3.47817"
                           yFract="0.70912005"
                           z3="10.78325"
                           zFract="0.44374731"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.47">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24319"
                           xFract="0.14665776"
                           y3="0.71996"
                           yFract="0.14678353"
                           z3="5.90093"
                           zFract="0.2500345"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65206"
                           xFract="0.14665862"
                           y3="3.17241"
                           yFract="0.64678251"
                           z3="6.07402"
                           zFract="0.25003446"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07152"
                           xFract="0.64665793"
                           y3="0.71996"
                           yFract="0.14678353"
                           z3="6.07402"
                           zFract="0.25003445"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.48039"
                           xFract="0.64665879"
                           y3="3.17241"
                           yFract="0.64678251"
                           z3="6.24712"
                           zFract="0.25003484"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.81003"
                           xFract="0.33157365"
                           y3="1.62659"
                           yFract="0.33162484"
                           z3="8.33939"
                           zFract="0.34964813"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.2189"
                           xFract="0.3315735"
                           y3="4.07905"
                           yFract="0.83162586"
                           z3="8.51248"
                           zFract="0.34964807"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63836"
                           xFract="0.83157383"
                           y3="1.62659"
                           yFract="0.33162484"
                           z3="8.51248"
                           zFract="0.34964808"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04723"
                           xFract="0.83157367"
                           y3="4.07905"
                           yFract="0.83162586"
                           z3="8.68557"
                           zFract="0.34964802"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44136"
                           xFract="0.80823877"
                           y3="1.51344"
                           yFract="0.30855612"
                           z3="10.53125"
                           zFract="0.43737845"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85023"
                           xFract="0.80823862"
                           y3="3.9659"
                           yFract="0.80855714"
                           z3="10.70434"
                           zFract="0.43737839"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61303"
                           xFract="0.30823859"
                           y3="1.51344"
                           yFract="0.30855612"
                           z3="10.35816"
                           zFract="0.43737849"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.0219"
                           xFract="0.30823844"
                           y3="3.9659"
                           yFract="0.80855714"
                           z3="10.53125"
                           zFract="0.43737844"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77056"
                           xFract="0.20886311"
                           y3="1.02545"
                           yFract="0.20906602"
                           z3="10.43706"
                           zFract="0.44374835"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17942"
                           xFract="0.20886118"
                           y3="3.47791"
                           yFract="0.70906704"
                           z3="10.61015"
                           zFract="0.44374832"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59888"
                           xFract="0.70886151"
                           y3="1.02545"
                           yFract="0.20906602"
                           z3="10.61015"
                           zFract="0.44374833"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00775"
                           xFract="0.70886136"
                           y3="3.47791"
                           yFract="0.70906704"
                           z3="10.78324"
                           zFract="0.44374828"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.48">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24333"
                           xFract="0.1466693"
                           y3="0.72009"
                           yFract="0.14681003"
                           z3="5.90087"
                           zFract="0.25003134"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.6522"
                           xFract="0.14667016"
                           y3="3.17254"
                           yFract="0.64680901"
                           z3="6.07396"
                           zFract="0.2500313"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07166"
                           xFract="0.64666948"
                           y3="0.72009"
                           yFract="0.14681003"
                           z3="6.07396"
                           zFract="0.2500313"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.48052"
                           xFract="0.64666857"
                           y3="3.17254"
                           yFract="0.64680901"
                           z3="6.24705"
                           zFract="0.25003128"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.81004"
                           xFract="0.33156831"
                           y3="1.62666"
                           yFract="0.33163911"
                           z3="8.33925"
                           zFract="0.34964196"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21891"
                           xFract="0.33156816"
                           y3="4.07912"
                           yFract="0.83164013"
                           z3="8.51234"
                           zFract="0.3496419"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63837"
                           xFract="0.83156849"
                           y3="1.62666"
                           yFract="0.33163911"
                           z3="8.51234"
                           zFract="0.34964191"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04724"
                           xFract="0.83156833"
                           y3="4.07912"
                           yFract="0.83164013"
                           z3="8.68544"
                           zFract="0.34964229"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44148"
                           xFract="0.80827319"
                           y3="1.51331"
                           yFract="0.30852962"
                           z3="10.53143"
                           zFract="0.43738609"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85035"
                           xFract="0.80827303"
                           y3="3.96577"
                           yFract="0.80853064"
                           z3="10.70452"
                           zFract="0.43738603"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61315"
                           xFract="0.30827301"
                           y3="1.51331"
                           yFract="0.30852962"
                           z3="10.35834"
                           zFract="0.43738613"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02202"
                           xFract="0.30827286"
                           y3="3.96577"
                           yFract="0.80853064"
                           z3="10.53143"
                           zFract="0.43738608"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77046"
                           xFract="0.20884746"
                           y3="1.02543"
                           yFract="0.20906194"
                           z3="10.43697"
                           zFract="0.44374477"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17933"
                           xFract="0.20884832"
                           y3="3.47788"
                           yFract="0.70906092"
                           z3="10.61006"
                           zFract="0.44374472"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59879"
                           xFract="0.70884764"
                           y3="1.02543"
                           yFract="0.20906194"
                           z3="10.61006"
                           zFract="0.44374472"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00766"
                           xFract="0.7088485"
                           y3="3.47788"
                           yFract="0.70906092"
                           z3="10.78315"
                           zFract="0.44374468"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.49">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24336"
                           xFract="0.14667156"
                           y3="0.72012"
                           yFract="0.14681615"
                           z3="5.90085"
                           zFract="0.25003036"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65223"
                           xFract="0.14667141"
                           y3="3.17258"
                           yFract="0.64681717"
                           z3="6.07394"
                           zFract="0.2500303"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07169"
                           xFract="0.64667174"
                           y3="0.72012"
                           yFract="0.14681615"
                           z3="6.07394"
                           zFract="0.25003031"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.48056"
                           xFract="0.64667158"
                           y3="3.17258"
                           yFract="0.64681717"
                           z3="6.24703"
                           zFract="0.25003025"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.81004"
                           xFract="0.33156628"
                           y3="1.62668"
                           yFract="0.33164319"
                           z3="8.33922"
                           zFract="0.34964063"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21891"
                           xFract="0.33156714"
                           y3="4.07913"
                           yFract="0.83164217"
                           z3="8.51231"
                           zFract="0.34964059"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63837"
                           xFract="0.83156646"
                           y3="1.62668"
                           yFract="0.33164319"
                           z3="8.51231"
                           zFract="0.34964059"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04724"
                           xFract="0.83156732"
                           y3="4.07913"
                           yFract="0.83164217"
                           z3="8.6854"
                           zFract="0.34964055"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44151"
                           xFract="0.80828154"
                           y3="1.51328"
                           yFract="0.3085235"
                           z3="10.53148"
                           zFract="0.43738821"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85038"
                           xFract="0.80828138"
                           y3="3.96574"
                           yFract="0.80852452"
                           z3="10.70457"
                           zFract="0.43738815"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61318"
                           xFract="0.30828136"
                           y3="1.51328"
                           yFract="0.3085235"
                           z3="10.35839"
                           zFract="0.43738826"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02205"
                           xFract="0.30828121"
                           y3="3.96574"
                           yFract="0.80852452"
                           z3="10.53148"
                           zFract="0.4373882"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77044"
                           xFract="0.20884494"
                           y3="1.02542"
                           yFract="0.2090599"
                           z3="10.43694"
                           zFract="0.44374354"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17931"
                           xFract="0.20884478"
                           y3="3.47788"
                           yFract="0.70906092"
                           z3="10.61004"
                           zFract="0.44374391"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59877"
                           xFract="0.70884511"
                           y3="1.02542"
                           yFract="0.2090599"
                           z3="10.61004"
                           zFract="0.44374393"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00764"
                           xFract="0.70884496"
                           y3="3.47788"
                           yFract="0.70906092"
                           z3="10.78313"
                           zFract="0.44374387"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.50">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24343"
                           xFract="0.14667683"
                           y3="0.72019"
                           yFract="0.14683042"
                           z3="5.90081"
                           zFract="0.25002834"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.6523"
                           xFract="0.14667769"
                           y3="3.17264"
                           yFract="0.6468294"
                           z3="6.07391"
                           zFract="0.25002873"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07176"
                           xFract="0.646677"
                           y3="0.72019"
                           yFract="0.14683042"
                           z3="6.07391"
                           zFract="0.25002873"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.48063"
                           xFract="0.64667786"
                           y3="3.17264"
                           yFract="0.6468294"
                           z3="6.2470"
                           zFract="0.25002868"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.81005"
                           xFract="0.331565"
                           y3="1.62671"
                           yFract="0.33164931"
                           z3="8.33915"
                           zFract="0.34963754"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21892"
                           xFract="0.33156485"
                           y3="4.07917"
                           yFract="0.83165033"
                           z3="8.51224"
                           zFract="0.34963749"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63838"
                           xFract="0.83156518"
                           y3="1.62671"
                           yFract="0.33164931"
                           z3="8.51224"
                           zFract="0.3496375"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04725"
                           xFract="0.83156502"
                           y3="4.07917"
                           yFract="0.83165033"
                           z3="8.68534"
                           zFract="0.34963787"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44157"
                           xFract="0.80829824"
                           y3="1.51322"
                           yFract="0.30851127"
                           z3="10.53157"
                           zFract="0.43739202"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85044"
                           xFract="0.8082991"
                           y3="3.96567"
                           yFract="0.80851025"
                           z3="10.70466"
                           zFract="0.43739198"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61324"
                           xFract="0.30829806"
                           y3="1.51322"
                           yFract="0.30851127"
                           z3="10.35848"
                           zFract="0.43739207"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02211"
                           xFract="0.30829892"
                           y3="3.96567"
                           yFract="0.80851025"
                           z3="10.53157"
                           zFract="0.43739203"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.7704"
                           xFract="0.20883888"
                           y3="1.02541"
                           yFract="0.20905786"
                           z3="10.4369"
                           zFract="0.44374194"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17926"
                           xFract="0.20883696"
                           y3="3.47787"
                           yFract="0.70905888"
                           z3="10.60999"
                           zFract="0.44374191"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59873"
                           xFract="0.70883906"
                           y3="1.02541"
                           yFract="0.20905786"
                           z3="10.60999"
                           zFract="0.44374189"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.00759"
                           xFract="0.70883714"
                           y3="3.47787"
                           yFract="0.70905888"
                           z3="10.78308"
                           zFract="0.44374186"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.51">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24356"
                           xFract="0.1466866"
                           y3="0.72032"
                           yFract="0.14685692"
                           z3="5.90075"
                           zFract="0.25002521"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65243"
                           xFract="0.14668645"
                           y3="3.17278"
                           yFract="0.64685794"
                           z3="6.07384"
                           zFract="0.25002516"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07189"
                           xFract="0.64668678"
                           y3="0.72032"
                           yFract="0.14685692"
                           z3="6.07384"
                           zFract="0.25002517"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.48076"
                           xFract="0.64668663"
                           y3="3.17278"
                           yFract="0.64685794"
                           z3="6.24693"
                           zFract="0.25002511"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.81006"
                           xFract="0.33155966"
                           y3="1.62678"
                           yFract="0.33166358"
                           z3="8.33902"
                           zFract="0.3496318"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21893"
                           xFract="0.3315595"
                           y3="4.07924"
                           yFract="0.8316646"
                           z3="8.51211"
                           zFract="0.34963175"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63839"
                           xFract="0.83155984"
                           y3="1.62678"
                           yFract="0.33166358"
                           z3="8.51211"
                           zFract="0.34963176"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04726"
                           xFract="0.83155968"
                           y3="4.07924"
                           yFract="0.8316646"
                           z3="8.6852"
                           zFract="0.3496317"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44169"
                           xFract="0.80833265"
                           y3="1.51309"
                           yFract="0.30848476"
                           z3="10.53175"
                           zFract="0.43739967"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85055"
                           xFract="0.80833175"
                           y3="3.96554"
                           yFract="0.80848374"
                           z3="10.70484"
                           zFract="0.43739965"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61336"
                           xFract="0.30833248"
                           y3="1.51309"
                           yFract="0.30848476"
                           z3="10.35866"
                           zFract="0.43739971"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02222"
                           xFract="0.30833157"
                           y3="3.96554"
                           yFract="0.80848374"
                           z3="10.53175"
                           zFract="0.4373997"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77031"
                           xFract="0.208825"
                           y3="1.02539"
                           yFract="0.20905378"
                           z3="10.43681"
                           zFract="0.44373832"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17917"
                           xFract="0.2088241"
                           y3="3.47784"
                           yFract="0.70905277"
                           z3="10.6099"
                           zFract="0.44373831"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59864"
                           xFract="0.70882518"
                           y3="1.02539"
                           yFract="0.20905378"
                           z3="10.6099"
                           zFract="0.44373828"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.0075"
                           xFract="0.70882427"
                           y3="3.47784"
                           yFract="0.70905277"
                           z3="10.78299"
                           zFract="0.44373826"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.52">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24374"
                           xFract="0.14670421"
                           y3="0.72046"
                           yFract="0.14688547"
                           z3="5.90055"
                           zFract="0.2500159"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65261"
                           xFract="0.14670405"
                           y3="3.17292"
                           yFract="0.64688649"
                           z3="6.07364"
                           zFract="0.25001584"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07207"
                           xFract="0.64670438"
                           y3="0.72046"
                           yFract="0.14688547"
                           z3="6.07364"
                           zFract="0.25001585"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.48094"
                           xFract="0.64670423"
                           y3="3.17292"
                           yFract="0.64688649"
                           z3="6.24673"
                           zFract="0.2500158"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.81006"
                           xFract="0.33155357"
                           y3="1.62684"
                           yFract="0.33167581"
                           z3="8.33902"
                           zFract="0.34963171"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21893"
                           xFract="0.33155341"
                           y3="4.0793"
                           yFract="0.83167683"
                           z3="8.51211"
                           zFract="0.34963166"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63839"
                           xFract="0.83155374"
                           y3="1.62684"
                           yFract="0.33167581"
                           z3="8.51211"
                           zFract="0.34963167"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04726"
                           xFract="0.83155359"
                           y3="4.0793"
                           yFract="0.83167683"
                           z3="8.6852"
                           zFract="0.34963161"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44162"
                           xFract="0.80833856"
                           y3="1.51291"
                           yFract="0.30844807"
                           z3="10.53185"
                           zFract="0.43740444"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85049"
                           xFract="0.80833942"
                           y3="3.96536"
                           yFract="0.80844705"
                           z3="10.70494"
                           zFract="0.4374044"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61329"
                           xFract="0.30833838"
                           y3="1.51291"
                           yFract="0.30844807"
                           z3="10.35876"
                           zFract="0.43740448"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02216"
                           xFract="0.30833924"
                           y3="3.96536"
                           yFract="0.80844705"
                           z3="10.53185"
                           zFract="0.43740444"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.7704"
                           xFract="0.20883482"
                           y3="1.02545"
                           yFract="0.20906602"
                           z3="10.43668"
                           zFract="0.44373239"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17927"
                           xFract="0.20883467"
                           y3="3.47791"
                           yFract="0.70906704"
                           z3="10.60977"
                           zFract="0.44373233"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59873"
                           xFract="0.708835"
                           y3="1.02545"
                           yFract="0.20906602"
                           z3="10.60977"
                           zFract="0.44373234"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.0076"
                           xFract="0.70883484"
                           y3="3.47791"
                           yFract="0.70906704"
                           z3="10.78286"
                           zFract="0.44373229"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.53">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24374"
                           xFract="0.14670421"
                           y3="0.72046"
                           yFract="0.14688547"
                           z3="5.90055"
                           zFract="0.2500159"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65261"
                           xFract="0.14670405"
                           y3="3.17292"
                           yFract="0.64688649"
                           z3="6.07364"
                           zFract="0.25001584"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.07207"
                           xFract="0.64670438"
                           y3="0.72046"
                           yFract="0.14688547"
                           z3="6.07364"
                           zFract="0.25001585"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.48094"
                           xFract="0.64670423"
                           y3="3.17292"
                           yFract="0.64688649"
                           z3="6.24673"
                           zFract="0.2500158"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.81006"
                           xFract="0.33155357"
                           y3="1.62684"
                           yFract="0.33167581"
                           z3="8.33902"
                           zFract="0.34963171"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21893"
                           xFract="0.33155341"
                           y3="4.0793"
                           yFract="0.83167683"
                           z3="8.51211"
                           zFract="0.34963166"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63839"
                           xFract="0.83155374"
                           y3="1.62684"
                           yFract="0.33167581"
                           z3="8.51211"
                           zFract="0.34963167"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04726"
                           xFract="0.83155359"
                           y3="4.0793"
                           yFract="0.83167683"
                           z3="8.6852"
                           zFract="0.34963161"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.44162"
                           xFract="0.80833856"
                           y3="1.51291"
                           yFract="0.30844807"
                           z3="10.53185"
                           zFract="0.43740444"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85049"
                           xFract="0.80833942"
                           y3="3.96536"
                           yFract="0.80844705"
                           z3="10.70494"
                           zFract="0.4374044"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61329"
                           xFract="0.30833838"
                           y3="1.51291"
                           yFract="0.30844807"
                           z3="10.35876"
                           zFract="0.43740448"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02216"
                           xFract="0.30833924"
                           y3="3.96536"
                           yFract="0.80844705"
                           z3="10.53185"
                           zFract="0.43740444"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.7704"
                           xFract="0.20883482"
                           y3="1.02545"
                           yFract="0.20906602"
                           z3="10.43668"
                           zFract="0.44373239"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17927"
                           xFract="0.20883467"
                           y3="3.47791"
                           yFract="0.70906704"
                           z3="10.60977"
                           zFract="0.44373233"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59873"
                           xFract="0.708835"
                           y3="1.02545"
                           yFract="0.20906602"
                           z3="10.60977"
                           zFract="0.44373234"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.0076"
                           xFract="0.70883484"
                           y3="3.47791"
                           yFract="0.70906704"
                           z3="10.78286"
                           zFract="0.44373229"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.54">
                  <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="2.86416"
                           xFract="0.33797839"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.39371"
                           zFract="0.04999987"/>
                     <atom elementType="Pt"
                           id="a2"
                           x3="4.27303"
                           xFract="0.33797824"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.5668"
                           zFract="0.04999982"/>
                     <atom elementType="Pt"
                           id="a3"
                           x3="5.69249"
                           xFract="0.83797857"
                           y3="1.65775"
                           yFract="0.33797766"
                           z3="1.5668"
                           zFract="0.04999983"/>
                     <atom elementType="Pt"
                           id="a4"
                           x3="7.10136"
                           xFract="0.83797842"
                           y3="4.11021"
                           yFract="0.83797868"
                           z3="1.73989"
                           zFract="0.04999977"/>
                     <atom elementType="Pt"
                           id="a5"
                           x3="4.13531"
                           xFract="0.48797744"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.81699"
                           zFract="0.15000021"/>
                     <atom elementType="Pt"
                           id="a6"
                           x3="5.54418"
                           xFract="0.48797729"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="3.99008"
                           zFract="0.15000016"/>
                     <atom elementType="Pt"
                           id="a7"
                           x3="6.96364"
                           xFract="0.98797762"
                           y3="2.39348"
                           yFract="0.48797633"
                           z3="3.99008"
                           zFract="0.15000017"/>
                     <atom elementType="Pt"
                           id="a8"
                           x3="8.37251"
                           xFract="0.98797747"
                           y3="4.84594"
                           yFract="0.98797735"
                           z3="4.16317"
                           zFract="0.15000011"/>
                     <atom elementType="Pt"
                           id="a9"
                           x3="1.24397"
                           xFract="0.14672963"
                           y3="0.72061"
                           yFract="0.14691605"
                           z3="5.90031"
                           zFract="0.25000472"/>
                     <atom elementType="Pt"
                           id="a10"
                           x3="2.65284"
                           xFract="0.14672948"
                           y3="3.17307"
                           yFract="0.64691707"
                           z3="6.0734"
                           zFract="0.25000466"/>
                     <atom elementType="Pt"
                           id="a11"
                           x3="4.0723"
                           xFract="0.64672981"
                           y3="0.72061"
                           yFract="0.14691605"
                           z3="6.0734"
                           zFract="0.25000467"/>
                     <atom elementType="Pt"
                           id="a12"
                           x3="5.48117"
                           xFract="0.64672966"
                           y3="3.17307"
                           yFract="0.64691707"
                           z3="6.2465"
                           zFract="0.25000505"/>
                     <atom elementType="Pt"
                           id="a13"
                           x3="2.81004"
                           xFract="0.33154495"
                           y3="1.62689"
                           yFract="0.331686"
                           z3="8.33909"
                           zFract="0.34963471"/>
                     <atom elementType="Pt"
                           id="a14"
                           x3="4.21891"
                           xFract="0.33154581"
                           y3="4.07934"
                           yFract="0.83168499"
                           z3="8.51218"
                           zFract="0.34963467"/>
                     <atom elementType="Pt"
                           id="a15"
                           x3="5.63837"
                           xFract="0.83154513"
                           y3="1.62689"
                           yFract="0.331686"
                           z3="8.51218"
                           zFract="0.34963466"/>
                     <atom elementType="Pt"
                           id="a16"
                           x3="7.04724"
                           xFract="0.83154599"
                           y3="4.07934"
                           yFract="0.83168499"
                           z3="8.68527"
                           zFract="0.34963462"/>
                     <atom elementType="O"
                           id="a17"
                           x3="5.4417"
                           xFract="0.80835575"
                           y3="1.51288"
                           yFract="0.30844195"
                           z3="10.53182"
                           zFract="0.43740298"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.85057"
                           xFract="0.80835661"
                           y3="3.96533"
                           yFract="0.80844093"
                           z3="10.70491"
                           zFract="0.43740294"/>
                     <atom elementType="O"
                           id="a19"
                           x3="2.61338"
                           xFract="0.30835734"
                           y3="1.51288"
                           yFract="0.30844195"
                           z3="10.35873"
                           zFract="0.437403"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.02224"
                           xFract="0.30835643"
                           y3="3.96533"
                           yFract="0.80844093"
                           z3="10.53182"
                           zFract="0.43740298"/>
                     <atom elementType="H"
                           id="a21"
                           x3="1.77041"
                           xFract="0.2088376"
                           y3="1.02544"
                           yFract="0.20906398"
                           z3="10.43653"
                           zFract="0.44372591"/>
                     <atom elementType="H"
                           id="a22"
                           x3="3.17927"
                           xFract="0.20883568"
                           y3="3.4779"
                           yFract="0.709065"
                           z3="10.60962"
                           zFract="0.44372588"/>
                     <atom elementType="H"
                           id="a23"
                           x3="4.59874"
                           xFract="0.70883778"
                           y3="1.02544"
                           yFract="0.20906398"
                           z3="10.60962"
                           zFract="0.44372587"/>
                     <atom elementType="H"
                           id="a24"
                           x3="6.0076"
                           xFract="0.70883586"
                           y3="3.4779"
                           yFract="0.709065"
                           z3="10.78271"
                           zFract="0.44372584"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a17 a23" order="S"/>
                     <bond atomRefs2="a18 a24" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Pt16">
                     <atomArray count="4 4 16" elementType="H O Pt"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3185.2456000000006</scalar>
                  </property>
               </molecule>
            </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">-116.10832567</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-116.07297502</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-116.09654212</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-6.1381</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.8866755E-05</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>
               <atomArray>
                  <atom elementType="Pt"
                        id="a1"
                        x3="2.86416"
                        xFract="0.33797839"
                        y3="1.65775"
                        yFract="0.33797766"
                        z3="1.39371"
                        zFract="0.04999987"/>
                  <atom elementType="Pt"
                        id="a2"
                        x3="4.27303"
                        xFract="0.33797824"
                        y3="4.11021"
                        yFract="0.83797868"
                        z3="1.5668"
                        zFract="0.04999982"/>
                  <atom elementType="Pt"
                        id="a3"
                        x3="5.69249"
                        xFract="0.83797857"
                        y3="1.65775"
                        yFract="0.33797766"
                        z3="1.5668"
                        zFract="0.04999983"/>
                  <atom elementType="Pt"
                        id="a4"
                        x3="7.10136"
                        xFract="0.83797842"
                        y3="4.11021"
                        yFract="0.83797868"
                        z3="1.73989"
                        zFract="0.04999977"/>
                  <atom elementType="Pt"
                        id="a5"
                        x3="4.13531"
                        xFract="0.48797744"
                        y3="2.39348"
                        yFract="0.48797633"
                        z3="3.81699"
                        zFract="0.15000021"/>
                  <atom elementType="Pt"
                        id="a6"
                        x3="5.54418"
                        xFract="0.48797729"
                        y3="4.84594"
                        yFract="0.98797735"
                        z3="3.99008"
                        zFract="0.15000016"/>
                  <atom elementType="Pt"
                        id="a7"
                        x3="6.96364"
                        xFract="0.98797762"
                        y3="2.39348"
                        yFract="0.48797633"
                        z3="3.99008"
                        zFract="0.15000017"/>
                  <atom elementType="Pt"
                        id="a8"
                        x3="8.37251"
                        xFract="0.98797747"
                        y3="4.84594"
                        yFract="0.98797735"
                        z3="4.16317"
                        zFract="0.15000011"/>
                  <atom elementType="Pt"
                        id="a9"
                        x3="1.24397"
                        xFract="0.14672963"
                        y3="0.72061"
                        yFract="0.14691605"
                        z3="5.90031"
                        zFract="0.25000472"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="2.65284"
                        xFract="0.14672948"
                        y3="3.17307"
                        yFract="0.64691707"
                        z3="6.0734"
                        zFract="0.25000466"/>
                  <atom elementType="Pt"
                        id="a11"
                        x3="4.0723"
                        xFract="0.64672981"
                        y3="0.72061"
                        yFract="0.14691605"
                        z3="6.0734"
                        zFract="0.25000467"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="5.48117"
                        xFract="0.64672966"
                        y3="3.17307"
                        yFract="0.64691707"
                        z3="6.2465"
                        zFract="0.25000505"/>
                  <atom elementType="Pt"
                        id="a13"
                        x3="2.81004"
                        xFract="0.33154495"
                        y3="1.62689"
                        yFract="0.331686"
                        z3="8.33909"
                        zFract="0.34963471"/>
                  <atom elementType="Pt"
                        id="a14"
                        x3="4.21891"
                        xFract="0.33154581"
                        y3="4.07934"
                        yFract="0.83168499"
                        z3="8.51218"
                        zFract="0.34963467"/>
                  <atom elementType="Pt"
                        id="a15"
                        x3="5.63837"
                        xFract="0.83154513"
                        y3="1.62689"
                        yFract="0.331686"
                        z3="8.51218"
                        zFract="0.34963466"/>
                  <atom elementType="Pt"
                        id="a16"
                        x3="7.04724"
                        xFract="0.83154599"
                        y3="4.07934"
                        yFract="0.83168499"
                        z3="8.68527"
                        zFract="0.34963462"/>
                  <atom elementType="O"
                        id="a17"
                        x3="5.4417"
                        xFract="0.80835575"
                        y3="1.51288"
                        yFract="0.30844195"
                        z3="10.53182"
                        zFract="0.43740298"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.85057"
                        xFract="0.80835661"
                        y3="3.96533"
                        yFract="0.80844093"
                        z3="10.70491"
                        zFract="0.43740294"/>
                  <atom elementType="O"
                        id="a19"
                        x3="2.61338"
                        xFract="0.30835734"
                        y3="1.51288"
                        yFract="0.30844195"
                        z3="10.35873"
                        zFract="0.437403"/>
                  <atom elementType="O"
                        id="a20"
                        x3="4.02224"
                        xFract="0.30835643"
                        y3="3.96533"
                        yFract="0.80844093"
                        z3="10.53182"
                        zFract="0.43740298"/>
                  <atom elementType="H"
                        id="a21"
                        x3="1.77041"
                        xFract="0.2088376"
                        y3="1.02544"
                        yFract="0.20906398"
                        z3="10.43653"
                        zFract="0.44372591"/>
                  <atom elementType="H"
                        id="a22"
                        x3="3.17927"
                        xFract="0.20883568"
                        y3="3.4779"
                        yFract="0.709065"
                        z3="10.60962"
                        zFract="0.44372588"/>
                  <atom elementType="H"
                        id="a23"
                        x3="4.59874"
                        xFract="0.70883778"
                        y3="1.02544"
                        yFract="0.20906398"
                        z3="10.60962"
                        zFract="0.44372587"/>
                  <atom elementType="H"
                        id="a24"
                        x3="6.0076"
                        xFract="0.70883586"
                        y3="3.4779"
                        yFract="0.709065"
                        z3="10.78271"
                        zFract="0.44372584"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
               </bondArray>
               <formula concise="H4O4Pt16">
                  <atomArray count="4 4 16" elementType="H O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3185.2456000000006</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
