<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-10-22T15:58:30.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                        id="a1"
                        x3="3.00798082"
                        xFract="0.336419"
                        y3="1.74099457"
                        yFract="0.336419"
                        z3="1.46948831"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a2"
                        x3="4.49445082"
                        xFract="0.336419"
                        y3="4.32853357"
                        yFract="0.836419"
                        z3="1.65211331"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a3"
                        x3="5.99209782"
                        xFract="0.836419"
                        y3="1.74099457"
                        yFract="0.336419"
                        z3="1.65211331"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a4"
                        x3="7.47856782"
                        xFract="0.836419"
                        y3="4.32853357"
                        yFract="0.836419"
                        z3="1.83473831"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a5"
                        x3="4.34915692"
                        xFract="0.486419"
                        y3="2.51725627"
                        yFract="0.486419"
                        z3="4.02623811"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a6"
                        x3="5.83562692"
                        xFract="0.486419"
                        y3="5.10479527"
                        yFract="0.986419"
                        z3="4.20886311"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a7"
                        x3="7.33327392"
                        xFract="0.986419"
                        y3="2.51725627"
                        yFract="0.486419"
                        z3="4.20886311"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a8"
                        x3="8.81974392"
                        xFract="0.986419"
                        y3="5.10479527"
                        yFract="0.986419"
                        z3="4.39148811"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a9"
                        x3="1.21940849"
                        xFract="0.13638125"
                        y3="0.70578361"
                        yFract="0.13638125"
                        z3="6.21724562"
                        zFract="0.24998701"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="2.70587849"
                        xFract="0.13638125"
                        y3="3.29332261"
                        yFract="0.63638125"
                        z3="6.39987062"
                        zFract="0.24998701"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="4.20352549"
                        xFract="0.63638125"
                        y3="0.70578361"
                        yFract="0.13638125"
                        z3="6.39987062"
                        zFract="0.24998701"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="5.68999549"
                        xFract="0.63638125"
                        y3="3.29332261"
                        yFract="0.63638125"
                        z3="6.58249562"
                        zFract="0.24998701"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="2.55285038"
                        xFract="0.28551624"
                        y3="1.47756881"
                        yFract="0.28551624"
                        z3="8.91190886"
                        zFract="0.35564845"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="4.03932038"
                        xFract="0.28551624"
                        y3="4.06510781"
                        yFract="0.78551624"
                        z3="9.09453386"
                        zFract="0.35564845"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="5.53696738"
                        xFract="0.78551624"
                        y3="1.47756881"
                        yFract="0.28551624"
                        z3="9.09453386"
                        zFract="0.35564845"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="7.02343738"
                        xFract="0.78551624"
                        y3="4.06510781"
                        yFract="0.78551624"
                        z3="9.27715886"
                        zFract="0.35564845"/>
                  <atom elementType="H"
                        id="a17"
                        x3="3.99399659"
                        xFract="0.44669711"
                        y3="2.31169239"
                        yFract="0.44669711"
                        z3="9.83439342"
                        zFract="0.38853298"/>
                  <atom elementType="H"
                        id="a18"
                        x3="5.48046659"
                        xFract="0.44669711"
                        y3="4.89923139"
                        yFract="0.94669711"
                        z3="10.01701842"
                        zFract="0.38853298"/>
                  <atom elementType="H"
                        id="a19"
                        x3="6.97811359"
                        xFract="0.94669711"
                        y3="2.31169239"
                        yFract="0.44669711"
                        z3="10.01701842"
                        zFract="0.38853298"/>
                  <atom elementType="H"
                        id="a20"
                        x3="8.46458359"
                        xFract="0.94669711"
                        y3="4.89923139"
                        yFract="0.94669711"
                        z3="10.19964342"
                        zFract="0.38853298"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
               </bondArray>
               <formula concise="H4Au16">
                  <atomArray count="4 16" elementType="H Au"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3151.464800000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/16Au.4H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20/rA:20AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuH3H2H2H/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;;s13;s13s14;s14s15;s13s14s15;s14s16;s15s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">5</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.0200</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">180.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Au 06Sep2000|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="2">Au H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">196.966 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">16 4</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">7 7 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1920">-10.7049 -9.2345 -9.1002 -9.0640 -9.0638 -8.0260 -7.4524 -7.2770 -7.2765 -7.2763 -7.2261 -7.2261 -7.2256 -6.9591 -6.9591 -6.9590 -6.7492 -6.7491 -6.7476 -6.5251 -6.5250 -6.5243 -6.0709 -6.0709 -5.9201 -5.9199 -5.9185 -5.8490 -5.5281 -5.5277 -5.5277 -5.4859 -5.3943 -5.3942 -5.3517 -5.3515 -5.3512 -5.3406 -5.3405 -5.0552 -4.9720 -4.9707 -4.9702 -4.9686 -4.9686 -4.9414 -4.9410 -4.9408 -4.8213 -4.8212 -4.8196 -4.6164 -4.6161 -4.2087 -4.2081 -4.1345 -4.1344 -4.1343 -3.9329 -3.9322 -3.9316 -3.8897 -3.8886 -3.8883 -3.8316 -3.8316 -3.6188 -3.6065 -3.6064 -3.6060 -3.4540 -3.4540 -3.4539 -3.3601 -3.3599 -3.2400 -3.2399 -3.2397 -3.1298 -3.1298 -3.1297 -2.8535 -2.8535 -2.8535 -2.6845 -2.6794 -2.6793 -1.3162 -0.8137 -0.8134 -0.8125 -0.2658 -0.2655 -0.2649 0.2583 0.2584 0.2587 0.5635 0.5643 0.5710 2.0371 2.0372 2.0373 2.3292 2.8875 2.8879 2.8880 3.0081 3.7269 3.7271 3.7286 3.9756 4.3963 5.6066 5.6067 5.6305 5.6449 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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
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                     <list cmlx:templateRef="totals">
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                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">-0.000</scalar>
                     </list>
                  </module>
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               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="12">1 2 3 4 5 6 7 8 9 10 11 12</array>
                     <array dataType="xsd:string" dictRef="v:freqtype" size="12">f f f f f f f f f f f f</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="12">861.283348 819.954935 818.840239 818.506384 790.234714 789.964394 789.685555 636.991132 636.528595 635.549666 542.381807 541.380213</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="720">0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.031405 0.018056 -0.498774 0.028823 0.017986 -0.498703 0.030946 0.017775 -0.498783 0.029526 0.018143 -0.498792 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.131929 -0.323554 0.179424 0.577278 0.059515 0.000018 0.131296 0.349521 -0.171045 -0.576887 -0.085862 -0.009579 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.166235 0.482935 0.124296 -0.036446 -0.359919 -0.205788 0.148716 0.426412 0.179966 0.054399 -0.548998 -0.098898 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.547891 -0.071909 -0.122815 -0.100626 0.458391 -0.137154 0.551158 -0.195988 0.032522 0.095772 -0.191248 0.226958 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.114183 -0.041882 -0.384669 0.057126 0.061216 0.566768 0.113412 0.038200 0.394453 -0.056369 -0.057734 -0.576694 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.024715 -0.160251 0.463228 0.033743 0.157143 -0.488101 -0.033157 -0.157709 0.482602 0.027024 0.160957 -0.457756 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.136926 -0.061868 -0.568231 0.169546 -0.049609 -0.357197 -0.135001 0.069871 0.544941 -0.171269 0.041484 0.380287 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.512123 0.225028 0.040143 -0.330409 0.109035 -0.016112 0.391028 -0.228076 0.017824 -0.587959 -0.108115 -0.039230 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.137990 -0.552879 -0.009054 -0.516022 -0.105968 -0.034726 0.255105 0.552835 0.034270 0.115334 0.105788 0.010743 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.295606 -0.139957 0.012823 -0.034003 0.592799 0.018733 -0.389532 0.136989 -0.018937 0.130475 -0.593212 -0.012799 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.425535 -0.266250 0.015635 0.419367 -0.267041 0.016287 0.427091 -0.266038 0.015581 0.419636 -0.265614 0.016455 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.267617 -0.422538 -0.030969 -0.262381 -0.423943 -0.031558 -0.267586 -0.422942 -0.030997 -0.262377 -0.421938 -0.031630</array>
                     <array dataType="xsd:double" dictRef="cc:coords" size="60">3.007981 1.740995 1.469488 4.494451 4.328534 1.652113 5.992098 1.740995 1.652113 7.478568 4.328534 1.834738 4.349157 2.517256 4.026238 5.835627 5.104795 4.208863 7.333274 2.517256 4.208863 8.819744 5.104795 4.391488 1.219408 0.705784 6.217246 2.705878 3.293323 6.399871 4.203525 0.705784 6.399871 5.689995 3.293323 6.582496 2.552850 1.477569 8.911909 4.039320 4.065108 9.094534 5.536967 1.477569 9.094534 7.023437 4.065108 9.277159 3.993997 2.311692 9.834394 5.480467 4.899231 10.017019 6.978114 2.311692 10.017019 8.464584 4.899231 10.199644</array>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-35.70319498</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-35.66300363</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-35.68979786</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.2403</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.3331069E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                        id="a1"
                        x3="3.00798"
                        xFract="0.3364193"
                        y3="1.74099"
                        yFract="0.33641812"
                        z3="1.46949"
                        zFract="0.05000608"/>
                  <atom elementType="Au"
                        id="a2"
                        x3="4.49445"
                        xFract="0.33641921"
                        y3="4.32853"
                        yFract="0.83641831"
                        z3="1.65211"
                        zFract="0.05000587"/>
                  <atom elementType="Au"
                        id="a3"
                        x3="5.9921"
                        xFract="0.83641981"
                        y3="1.74099"
                        yFract="0.33641812"
                        z3="1.65211"
                        zFract="0.05000587"/>
                  <atom elementType="Au"
                        id="a4"
                        x3="7.47857"
                        xFract="0.83641971"
                        y3="4.32853"
                        yFract="0.83641831"
                        z3="1.83474"
                        zFract="0.05000607"/>
                  <atom elementType="Au"
                        id="a5"
                        x3="4.34916"
                        xFract="0.48641916"
                        y3="2.51726"
                        yFract="0.48641972"
                        z3="4.02624"
                        zFract="0.15000606"/>
                  <atom elementType="Au"
                        id="a6"
                        x3="5.83563"
                        xFract="0.48641906"
                        y3="5.1048"
                        yFract="0.98641991"
                        z3="4.20886"
                        zFract="0.15000586"/>
                  <atom elementType="Au"
                        id="a7"
                        x3="7.33327"
                        xFract="0.98641798"
                        y3="2.51726"
                        yFract="0.48641972"
                        z3="4.20886"
                        zFract="0.15000588"/>
                  <atom elementType="Au"
                        id="a8"
                        x3="8.81974"
                        xFract="0.98641789"
                        y3="5.1048"
                        yFract="0.98641991"
                        z3="4.39149"
                        zFract="0.15000608"/>
                  <atom elementType="Au"
                        id="a9"
                        x3="1.21941"
                        xFract="0.13638185"
                        y3="0.70578"
                        yFract="0.13638055"
                        z3="6.21725"
                        zFract="0.24998719"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="2.70588"
                        xFract="0.13638175"
                        y3="3.29332"
                        yFract="0.63638075"
                        z3="6.39987"
                        zFract="0.24998698"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="4.20353"
                        xFract="0.63638235"
                        y3="0.70578"
                        yFract="0.13638055"
                        z3="6.39987"
                        zFract="0.24998698"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="5.6900"
                        xFract="0.63638226"
                        y3="3.29332"
                        yFract="0.63638075"
                        z3="6.5825"
                        zFract="0.24998718"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="2.55285"
                        xFract="0.28551606"
                        y3="1.47757"
                        yFract="0.28551647"
                        z3="8.91191"
                        zFract="0.3556485"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="4.03932"
                        xFract="0.28551597"
                        y3="4.06511"
                        yFract="0.78551666"
                        z3="9.09453"
                        zFract="0.35564829"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="5.53697"
                        xFract="0.78551656"
                        y3="1.47757"
                        yFract="0.28551647"
                        z3="9.09453"
                        zFract="0.35564828"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="7.02344"
                        xFract="0.78551647"
                        y3="4.06511"
                        yFract="0.78551666"
                        z3="9.27716"
                        zFract="0.35564849"/>
                  <atom elementType="H"
                        id="a17"
                        x3="3.9940"
                        xFract="0.44669791"
                        y3="2.31169"
                        yFract="0.44669665"
                        z3="9.83439"
                        zFract="0.38853284"/>
                  <atom elementType="H"
                        id="a18"
                        x3="5.48047"
                        xFract="0.44669782"
                        y3="4.89923"
                        yFract="0.94669684"
                        z3="10.01702"
                        zFract="0.38853304"/>
                  <atom elementType="H"
                        id="a19"
                        x3="6.97811"
                        xFract="0.94669674"
                        y3="2.31169"
                        yFract="0.44669665"
                        z3="10.01702"
                        zFract="0.38853306"/>
                  <atom elementType="H"
                        id="a20"
                        x3="8.46458"
                        xFract="0.94669664"
                        y3="4.89923"
                        yFract="0.94669684"
                        z3="10.17964"
                        zFract="0.38771558"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
               </bondArray>
               <formula concise="H4Au16">
                  <atomArray count="4 16" elementType="H Au"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3151.464800000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/16Au.4H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20/rA:20AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuH3H2H2H/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;;s13;s13s14;s14s15;s13s14s15;s14s16;s15s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
