<?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">2022-10-24T23:15:54.000</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="1.2006411"
                        xFract="0.1294183"
                        y3="0.74545327"
                        yFract="0.14404677"
                        z3="6.22355972"
                        zFract="0.25023454"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="2.75677226"
                        xFract="0.14156741"
                        y3="3.32803543"
                        yFract="0.64308894"
                        z3="6.35297614"
                        zFract="0.24789322"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="4.18415342"
                        xFract="0.62928205"
                        y3="0.7458162"
                        yFract="0.1441169"
                        z3="6.40611921"
                        zFract="0.25023285"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="5.74023914"
                        xFract="0.64144118"
                        y3="3.32821516"
                        yFract="0.64312367"
                        z3="6.53575811"
                        zFract="0.247901"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="2.67437515"
                        xFract="0.29630666"
                        y3="1.57700788"
                        yFract="0.30473123"
                        z3="8.74009179"
                        zFract="0.34817957"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="4.24698177"
                        xFract="0.30048672"
                        y3="4.27106034"
                        yFract="0.82531323"
                        z3="8.8973098"
                        zFract="0.34677177"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="5.66068432"
                        xFract="0.79698854"
                        y3="1.57373977"
                        yFract="0.30409972"
                        z3="8.92035873"
                        zFract="0.34808246"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="7.22992298"
                        xFract="0.80019308"
                        y3="4.27206425"
                        yFract="0.82550722"
                        z3="9.07788878"
                        zFract="0.34668965"/>
                  <atom elementType="O"
                        id="a17"
                        x3="4.71813947"
                        xFract="0.51952631"
                        y3="2.81560019"
                        yFract="0.54406913"
                        z3="10.61655323"
                        zFract="0.41795441"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.73158298"
                        xFract="0.01826508"
                        y3="2.82445671"
                        yFract="0.54578051"
                        z3="10.43743329"
                        zFract="0.41809092"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.51791044"
                        xFract="0.62700995"
                        y3="3.09112853"
                        yFract="0.59731052"
                        z3="11.10059073"
                        zFract="0.43533497"/>
                  <atom elementType="H"
                        id="a20"
                        x3="2.53036365"
                        xFract="0.1253505"
                        y3="3.10239835"
                        yFract="0.59948823"
                        z3="10.92131996"
                        zFract="0.4354643"/>
               </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 a12" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
               </bondArray>
               <formula concise="H2Au16O2">
                  <atomArray count="2 16 2" elementType="H Au O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3183.4636000000014</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/16Au.H2O.HO/h;;;;;;;;;;;;;;;;1H2;1H/q;;;;;;;;;;;;;;;+1;;/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:1;2;3;4;5;6;7;8;9;10;11;12;14;15;16;13;18;17/CRV:;;;;;;;;;;;;;;;;;1.1/rA:20AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuO3OHH/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;s10s11;s12;s12s13;s14;s14s15;s13;s17;s18;/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">190.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE Au 06Sep2000|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="3">Au O H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">196.966 16.000 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.000 6.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">16 2 2</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">7 7 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="25">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="4000">-20.5708 -20.2132 -9.7330 -8.7256 -8.5818 -8.0326 -7.7441 -7.6155 -7.6007 -7.5731 -7.5063 -7.4752 -7.4569 -7.2698 -7.2565 -7.2129 -7.1922 -7.0775 -6.9448 -6.9320 -6.9132 -6.7148 -6.6993 -6.4606 -6.3500 -6.2440 -5.9838 -5.8690 -5.7802 -5.7738 -5.7719 -5.7590 -5.6809 -5.6743 -5.6718 -5.6704 -5.6282 -5.6200 -5.5254 -5.5137 -5.4820 -5.4232 -5.3201 -5.3100 -5.2905 -5.2389 -5.1779 -4.9289 -4.8618 -4.8162 -4.8148 -4.7016 -4.6169 -4.6000 -4.5242 -4.4544 -4.4491 -4.4167 -4.3267 -4.2343 -4.2058 -4.1948 -4.1137 -3.9781 -3.9174 -3.8683 -3.8146 -3.7349 -3.6823 -3.6526 -3.6320 -3.5883 -3.5642 -3.5182 -3.5129 -3.4897 -3.4790 -3.4742 -3.4108 -3.3983 -3.3587 -3.1918 -3.1693 -3.1661 -3.1590 -3.1318 -3.1084 -3.1074 -2.8244 -2.4810 -2.4687 -1.9544 -1.1344 -1.0696 -1.0594 -0.5692 -0.4730 -0.4384 -0.4183 -0.0335 -0.0142 -0.0065 0.3097 0.5523 1.1273 1.6972 1.8179 1.9300 2.3326 2.5288 2.5661 2.8137 3.4661 3.5424 3.7479 3.7600 4.1170 4.2751 4.6200 4.6908 4.8121 6.3724 6.5640 6.7543 6.8181 6.8303 6.8568 7.2551 7.3611 7.6950 7.8231 7.8537 7.9105 8.1538 8.5790 8.7898 8.8289 8.9447 8.9878 9.0596 9.1269 9.1918 9.2280 9.2375 9.3508 9.3898 9.8762 9.9284 9.9769 10.0458 10.0705 10.1356 10.1689 10.3492 10.5461 10.5833 10.7615 10.9372 10.9565 10.9657 -20.5546 -20.2311 -9.5926 -8.5996 -8.5167 -7.9372 -7.6211 -7.5857 -7.5166 -7.5112 -7.4449 -7.3892 -7.3826 -7.2117 -7.1965 -7.1561 -7.1218 -7.0117 -6.8925 -6.8524 -6.8208 -6.6795 -6.6563 -6.4150 -6.3229 -6.2511 -5.9614 -5.9134 -5.8272 -5.8238 -5.7758 -5.7634 -5.7482 -5.7209 -5.6693 -5.6161 -5.6098 -5.5957 -5.5275 -5.4601 -5.4584 -5.3751 -5.3212 -5.3026 -5.2668 -5.2214 -5.1312 -4.9971 -4.9586 -4.9044 -4.8869 -4.8098 -4.7401 -4.7020 -4.5617 -4.5591 -4.5218 -4.4502 -4.3420 -4.2552 -4.2144 -4.1427 -4.0716 -4.0477 -3.9666 -3.9627 -3.8760 -3.8463 -3.7820 -3.7196 -3.7104 -3.6910 -3.6553 -3.6365 -3.6172 -3.6100 -3.5415 -3.5246 -3.5157 -3.5133 -3.4471 -3.3680 -3.3524 -3.3214 -3.2744 -3.2714 -3.1946 -3.0009 -2.9669 -2.6446 -2.4881 -2.2744 -1.7209 -1.5454 -1.3932 -1.3251 -0.7058 -0.6747 -0.0315 -0.0158 0.5013 0.6019 0.8668 1.2974 1.5969 1.8389 1.9976 2.0252 2.6615 2.8316 2.8817 2.9307 3.5267 3.5533 3.6134 4.1259 4.7084 4.8203 4.8759 5.1025 5.6486 6.0955 6.3037 6.4544 6.5258 6.5738 6.8438 7.0867 7.2628 7.6398 7.8253 8.0427 8.0929 8.3662 8.4437 8.6263 8.6341 8.7307 8.7373 8.8777 9.1266 9.1471 9.2964 9.3193 9.4240 9.4698 9.4896 9.6795 9.8967 9.9428 10.0746 10.2250 10.3513 10.3818 10.5417 10.7197 10.8309 10.9682 11.0089 11.1559 -20.5091 -20.2803 -9.1905 -8.3411 -8.2695 -7.7157 -7.6377 -7.3519 -7.2963 -7.2859 -7.2682 -7.1877 -7.1595 -7.0559 -7.0229 -6.9705 -6.9423 -6.8915 -6.7429 -6.6566 -6.6361 -6.5136 -6.4884 -6.2827 -6.2579 -6.2559 -6.0491 -6.0103 -5.9964 -5.8910 -5.8870 -5.8136 -5.7472 -5.7407 -5.6209 -5.6157 -5.5240 -5.5009 -5.4411 -5.3999 -5.3968 -5.3783 -5.3666 -5.3463 -5.2626 -5.2428 -5.1991 -5.1402 -5.1146 -5.0371 -4.9586 -4.9325 -4.8589 -4.8450 -4.7482 -4.7090 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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="20">-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="20">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="20">-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="20">-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: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">3652.926547 3647.434837 798.028034 753.218254 695.110771 661.392691 312.900558 299.774975 198.264193 187.886053 186.358817 134.108754</array>
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                     <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 1.200641 0.745453 6.223560 2.756772 3.328035 6.352976 4.184153 0.745816 6.406119 5.740239 3.328215 6.535758 2.674375 1.577008 8.740092 4.246982 4.271060 8.897310 5.660684 1.573740 8.920359 7.229923 4.272064 9.077889 4.718139 2.815600 10.616553 1.731583 2.824457 10.437433 5.517910 3.091129 11.100591 2.530364 3.102398 10.921320</array>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-42.89014380</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-42.88692412</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-42.88907058</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.5103</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.6869560E-02</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="1.20064"
                        xFract="0.12941843"
                        y3="0.74545"
                        yFract="0.14404614"
                        z3="6.22356"
                        zFract="0.25023456"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="2.75677"
                        xFract="0.14156659"
                        y3="3.32804"
                        yFract="0.64308982"
                        z3="6.35298"
                        zFract="0.24789338"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="4.18415"
                        xFract="0.62928111"
                        y3="0.74582"
                        yFract="0.14411763"
                        z3="6.40612"
                        zFract="0.25023289"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="5.74024"
                        xFract="0.64144086"
                        y3="3.32822"
                        yFract="0.64312461"
                        z3="6.53576"
                        zFract="0.24790107"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="2.67438"
                        xFract="0.29630727"
                        y3="1.57701"
                        yFract="0.30473164"
                        z3="8.74009"
                        zFract="0.34817948"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="4.24698"
                        xFract="0.30048646"
                        y3="4.27106"
                        yFract="0.82531316"
                        z3="8.89731"
                        zFract="0.34677178"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="5.66068"
                        xFract="0.79698779"
                        y3="1.57374"
                        yFract="0.30409976"
                        z3="8.92036"
                        zFract="0.34808252"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="7.22992"
                        xFract="0.80019299"
                        y3="4.27206"
                        yFract="0.8255064"
                        z3="9.07789"
                        zFract="0.34668971"/>
                  <atom elementType="O"
                        id="a17"
                        x3="4.71814"
                        xFract="0.51952642"
                        y3="2.8156"
                        yFract="0.54406909"
                        z3="10.61655"
                        zFract="0.41795428"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.73158"
                        xFract="0.01826426"
                        y3="2.82446"
                        yFract="0.54578115"
                        z3="10.43743"
                        zFract="0.41809079"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.51791"
                        xFract="0.62700974"
                        y3="3.09113"
                        yFract="0.5973108"
                        z3="11.10059"
                        zFract="0.43533494"/>
                  <atom elementType="H"
                        id="a20"
                        x3="2.53036"
                        xFract="0.12534973"
                        y3="3.1024"
                        yFract="0.59948855"
                        z3="10.90132"
                        zFract="0.43464704"/>
               </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 a12" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
               </bondArray>
               <formula concise="H2Au16O2">
                  <atomArray count="2 16 2" elementType="H Au O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3183.4636000000014</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/16Au.H2O.HO/h;;;;;;;;;;;;;;;;1H2;1H/q;;;;;;;;;;;;;;;+1;;/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:1;2;3;4;5;6;7;8;9;10;11;12;14;15;16;13;18;17/CRV:;;;;;;;;;;;;;;;;;1.1/rA:20AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuO3OHH/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;s10s11;s12;s12s13;s14;s14s15;s13;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
