<?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">2025-04-07T14:55:00.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">24.445824562619787</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.44582452493818</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="Ag"
                        id="a1"
                        x3="-1.07598314"
                        xFract="0.336046"
                        y3="-0.1292399"
                        yFract="0.336046"
                        z3="17.58170752"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="-2.56646114"
                        xFract="0.336046"
                        y3="-0.1292399"
                        yFract="0.836046"
                        z3="29.71340402"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="-1.07598314"
                        xFract="0.836046"
                        y3="-0.1292399"
                        yFract="0.336046"
                        z3="29.80462002"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="-2.56646114"
                        xFract="0.836046"
                        y3="-0.1292399"
                        yFract="0.836046"
                        z3="41.93631652"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="-1.67161316"
                        xFract="0.486045"
                        y3="-0.3877197"
                        yFract="0.486045"
                        z3="27.31438081"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="-3.16209116"
                        xFract="0.486045"
                        y3="-0.3877197"
                        yFract="0.986045"
                        z3="39.44607731"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="-1.67161316"
                        xFract="0.986045"
                        y3="-0.3877197"
                        yFract="0.486045"
                        z3="39.53729331"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="-3.16209116"
                        xFract="0.986045"
                        y3="-0.3877197"
                        yFract="0.986045"
                        z3="51.66898981"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="-0.76452545"
                        xFract="0.14176949"
                        y3="-0.64318252"
                        yFract="0.13251944"
                        z3="12.71857141"
                        zFract="0.2488328"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="-2.25500345"
                        xFract="0.14176949"
                        y3="-0.64318252"
                        yFract="0.63251944"
                        z3="24.85026791"
                        zFract="0.2488328"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="-0.76452545"
                        xFract="0.64176949"
                        y3="-0.64318252"
                        yFract="0.13251944"
                        z3="24.94148391"
                        zFract="0.2488328"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="-2.25500345"
                        xFract="0.64176949"
                        y3="-0.64318252"
                        yFract="0.63251944"
                        z3="37.07318041"
                        zFract="0.2488328"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="-1.38556416"
                        xFract="0.27690892"
                        y3="-0.89561136"
                        yFract="0.29220822"
                        z3="22.26629708"
                        zFract="0.34649182"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="-2.87604216"
                        xFract="0.27690892"
                        y3="-0.89561136"
                        yFract="0.79220822"
                        z3="34.39799358"
                        zFract="0.34649182"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="-1.38556416"
                        xFract="0.77690892"
                        y3="-0.89561136"
                        yFract="0.29220822"
                        z3="34.48920958"
                        zFract="0.34649182"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="-2.87604216"
                        xFract="0.77690892"
                        y3="-0.89561136"
                        yFract="0.79220822"
                        z3="46.62090608"
                        zFract="0.34649182"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.1622416"
                        xFract="0.29289183"
                        y3="-1.07996402"
                        yFract="0.51722726"
                        z3="29.8472487"
                        zFract="0.4178137"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-0.6717636"
                        xFract="0.29289183"
                        y3="-1.07996402"
                        yFract="0.01722726"
                        z3="17.7155522"
                        zFract="0.4178137"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-2.1622416"
                        xFract="0.79289183"
                        y3="-1.07996402"
                        yFract="0.51722726"
                        z3="42.0701612"
                        zFract="0.4178137"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-0.6717636"
                        xFract="0.79289183"
                        y3="-1.07996402"
                        yFract="0.01722726"
                        z3="29.9384647"
                        zFract="0.4178137"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-0.94593739"
                        xFract="0.11284478"
                        y3="-1.11405461"
                        yFract="0.10263264"
                        z3="15.70638481"
                        zFract="0.43100258"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-2.43641539"
                        xFract="0.11284478"
                        y3="-1.11405461"
                        yFract="0.60263264"
                        z3="27.83808131"
                        zFract="0.43100258"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-0.94593739"
                        xFract="0.61284478"
                        y3="-1.11405461"
                        yFract="0.10263264"
                        z3="27.92929731"
                        zFract="0.43100258"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-2.43641539"
                        xFract="0.61284478"
                        y3="-1.11405461"
                        yFract="0.60263264"
                        z3="40.06099381"
                        zFract="0.43100258"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a18" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a20" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a20" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a22" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a24" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a24" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
               </bondArray>
               <formula concise="H4O4Ag16">
                  <atomArray count="4 4 16" elementType="H O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1789.8887999999993</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">204.8160</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 Ag 06Sep2000|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="3">Ag O H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">107.868 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 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="3400">-25.3501 -24.7597 -24.7596 -24.6356 -13.5093 -13.3493 -12.6154 -12.6093 -12.6092 -12.5384 -12.5294 -12.5289 -12.4361 -12.4343 -12.4237 -12.4229 -12.4083 -12.3916 -12.3911 -12.2396 -12.1781 -12.1701 -12.1696 -11.9261 -11.8346 -11.8340 -11.6591 -11.5249 -11.5235 -11.3985 -11.3579 -11.3369 -11.3337 -11.2998 -11.2981 -11.2716 -11.2652 -11.2272 -11.2126 -11.2111 -11.1874 -11.1835 -11.1084 -11.1064 -11.0076 -11.0054 -10.8854 -10.7489 -10.7268 -10.7044 -10.7042 -10.6781 -10.6749 -10.5763 -10.5470 -10.4745 -10.4175 -10.2986 -10.2848 -10.2819 -10.2640 -10.2488 -10.2140 -10.1964 -10.1961 -10.1281 -10.1264 -10.0793 -10.0238 -9.9404 -9.8732 -9.8729 -9.8705 -9.8612 -9.8167 -9.8140 -9.8136 -9.7561 -9.7176 -9.7171 -9.6917 -9.6908 -9.6907 -9.6531 -9.6501 -9.6468 -9.6156 -9.4139 -9.1799 -9.1783 -9.1781 -8.5506 -8.3348 -8.3324 -7.9406 -7.9380 -7.9371 -7.1402 -6.9202 -6.6854 -6.3101 -6.2922 -6.2886 -5.7010 -5.6209 -5.6203 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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           y3="1.73722"
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                           z3="1.64995"
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                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
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                           xFract="0.48604607"
                           y3="5.09745"
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                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
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                           y3="5.09745"
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                           x3="1.23877"
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                           x3="2.72367"
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                           y3="3.26987"
                           yFract="0.63251945"
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                           xFract="0.64176995"
                           y3="0.68507"
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                           z3="6.36543"
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                           x3="5.70462"
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                           y3="3.26987"
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                           z3="6.54787"
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                           z3="8.67793"
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                           y3="4.0954"
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                           z3="8.86036"
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                           yFract="0.29220852"
                           z3="8.86036"
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                           y3="4.0954"
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                           z3="9.04279"
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                           yFract="0.51722804"
                           z3="10.50938"
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                           x3="1.79736"
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                           y3="0.08906"
                           yFract="0.01722765"
                           z3="10.50938"
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                           x3="0.97757"
                           xFract="0.11284501"
                           y3="0.53057"
                           yFract="0.10263278"
                           z3="10.61483"
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                           x3="2.46246"
                           xFract="0.11284381"
                           y3="3.11537"
                           yFract="0.60263317"
                           z3="10.79727"
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                           x3="3.95852"
                           xFract="0.612844"
                           y3="0.53057"
                           yFract="0.10263278"
                           z3="10.79727"
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                           y3="3.11537"
                           yFract="0.60263317"
                           z3="10.9797"
                           zFract="0.43100267"/>
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                  <bondArray>
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                     <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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
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                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
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                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
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                  </formula>
                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.2">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           z3="8.85895"
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                           yFract="0.79221665"
                           z3="9.04138"
                           zFract="0.34643378"/>
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                           xFract="0.29285891"
                           y3="2.67381"
                           yFract="0.51721837"
                           z3="10.51307"
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                           xFract="0.29285843"
                           y3="0.08901"
                           yFract="0.01721798"
                           z3="10.33064"
                           zFract="0.41796521"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26298"
                           xFract="0.7928579"
                           y3="2.67381"
                           yFract="0.51721837"
                           z3="10.69551"
                           zFract="0.41796545"/>
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                           id="a20"
                           x3="4.77809"
                           xFract="0.7928591"
                           y3="0.08901"
                           yFract="0.01721798"
                           z3="10.51307"
                           zFract="0.41796511"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97773"
                           xFract="0.11286413"
                           y3="0.53065"
                           yFract="0.10264825"
                           z3="10.61251"
                           zFract="0.43090701"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46263"
                           xFract="0.11286558"
                           y3="3.11544"
                           yFract="0.60264671"
                           z3="10.79495"
                           zFract="0.43090734"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95869"
                           xFract="0.61286481"
                           y3="0.53065"
                           yFract="0.10264825"
                           z3="10.79495"
                           zFract="0.43090732"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44359"
                           xFract="0.61286625"
                           y3="3.11544"
                           yFract="0.60264671"
                           z3="10.97738"
                           zFract="0.43090724"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23858"
                           xFract="0.14172874"
                           y3="0.68516"
                           yFract="0.13253647"
                           z3="6.18347"
                           zFract="0.24885233"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72348"
                           xFract="0.14172921"
                           y3="3.26996"
                           yFract="0.63253686"
                           z3="6.3659"
                           zFract="0.24885223"/>
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                           id="a11"
                           x3="4.21954"
                           xFract="0.64172941"
                           y3="0.68516"
                           yFract="0.13253647"
                           z3="6.3659"
                           zFract="0.24885224"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70444"
                           xFract="0.64172989"
                           y3="3.26996"
                           yFract="0.63253686"
                           z3="6.54833"
                           zFract="0.24885214"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51897"
                           xFract="0.27693696"
                           y3="1.51077"
                           yFract="0.29224141"
                           z3="8.67281"
                           zFract="0.34628151"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00386"
                           xFract="0.27693577"
                           y3="4.09557"
                           yFract="0.79224179"
                           z3="8.85524"
                           zFract="0.34628144"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49992"
                           xFract="0.77693596"
                           y3="1.51077"
                           yFract="0.29224141"
                           z3="8.85524"
                           zFract="0.34628145"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98482"
                           xFract="0.77693644"
                           y3="4.09557"
                           yFract="0.79224179"
                           z3="9.03767"
                           zFract="0.34628135"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28144"
                           xFract="0.29277247"
                           y3="2.67368"
                           yFract="0.51719322"
                           z3="10.52278"
                           zFract="0.41836398"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79654"
                           xFract="0.29277199"
                           y3="0.08888"
                           yFract="0.01719283"
                           z3="10.34035"
                           zFract="0.41836408"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26239"
                           xFract="0.79277147"
                           y3="2.67368"
                           yFract="0.51719322"
                           z3="10.70521"
                           zFract="0.41836391"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7775"
                           xFract="0.79277266"
                           y3="0.08888"
                           yFract="0.01719283"
                           z3="10.52278"
                           zFract="0.41836398"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97817"
                           xFract="0.11291866"
                           y3="0.53085"
                           yFract="0.10268694"
                           z3="10.60641"
                           zFract="0.43065608"/>
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                           id="a22"
                           x3="2.46306"
                           xFract="0.11291747"
                           y3="3.11565"
                           yFract="0.60268733"
                           z3="10.78885"
                           zFract="0.43065642"/>
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                           id="a23"
                           x3="3.95912"
                           xFract="0.61291766"
                           y3="0.53085"
                           yFract="0.10268694"
                           z3="10.78885"
                           zFract="0.43065643"/>
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                           id="a24"
                           x3="5.44402"
                           xFract="0.61291814"
                           y3="3.11565"
                           yFract="0.60268733"
                           z3="10.97128"
                           zFract="0.43065633"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
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                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
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               <molecule id="calculation.position.4">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23831"
                           xFract="0.14167092"
                           y3="0.68529"
                           yFract="0.13256162"
                           z3="6.18414"
                           zFract="0.24888022"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72321"
                           xFract="0.1416714"
                           y3="3.27009"
                           yFract="0.632562"
                           z3="6.36657"
                           zFract="0.24888013"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21927"
                           xFract="0.64167159"
                           y3="0.68529"
                           yFract="0.13256162"
                           z3="6.36657"
                           zFract="0.24888013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70416"
                           xFract="0.64167039"
                           y3="3.27009"
                           yFract="0.632562"
                           z3="6.54901"
                           zFract="0.24888047"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51935"
                           xFract="0.27697758"
                           y3="1.51101"
                           yFract="0.29228783"
                           z3="8.66539"
                           zFract="0.34597669"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00425"
                           xFract="0.27697806"
                           y3="4.09581"
                           yFract="0.79228822"
                           z3="8.84782"
                           zFract="0.34597659"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50031"
                           xFract="0.77697825"
                           y3="1.51101"
                           yFract="0.29228783"
                           z3="8.84782"
                           zFract="0.3459766"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.9852"
                           xFract="0.77697705"
                           y3="4.09581"
                           yFract="0.79228822"
                           z3="9.03026"
                           zFract="0.34597693"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28025"
                           xFract="0.29259792"
                           y3="2.67342"
                           yFract="0.51714293"
                           z3="10.54219"
                           zFract="0.41916134"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79536"
                           xFract="0.29259912"
                           y3="0.08862"
                           yFract="0.01714254"
                           z3="10.35976"
                           zFract="0.41916141"/>
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                           x3="6.26121"
                           xFract="0.7925986"
                           y3="2.67342"
                           yFract="0.51714293"
                           z3="10.72462"
                           zFract="0.41916125"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77631"
                           xFract="0.79259812"
                           y3="0.08862"
                           yFract="0.01714254"
                           z3="10.54219"
                           zFract="0.41916134"/>
                     <atom elementType="H"
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                           x3="0.97903"
                           xFract="0.11302341"
                           y3="0.53126"
                           yFract="0.10276625"
                           z3="10.59421"
                           zFract="0.43015427"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46393"
                           xFract="0.11302389"
                           y3="3.11606"
                           yFract="0.60276664"
                           z3="10.77664"
                           zFract="0.43015418"/>
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                           id="a23"
                           x3="3.95999"
                           xFract="0.61302408"
                           y3="0.53126"
                           yFract="0.10276625"
                           z3="10.77664"
                           zFract="0.43015418"/>
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                           x3="5.44489"
                           xFract="0.61302456"
                           y3="3.11606"
                           yFract="0.60276664"
                           z3="10.95908"
                           zFract="0.4301545"/>
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                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
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                     <bond atomRefs2="a3 a7" order="S"/>
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                     <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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23845"
                           xFract="0.14170115"
                           y3="0.68522"
                           yFract="0.13254808"
                           z3="6.1838"
                           zFract="0.24886607"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72335"
                           xFract="0.14170163"
                           y3="3.27002"
                           yFract="0.63254846"
                           z3="6.36623"
                           zFract="0.24886597"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21941"
                           xFract="0.64170182"
                           y3="0.68522"
                           yFract="0.13254808"
                           z3="6.36623"
                           zFract="0.24886598"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.7043"
                           xFract="0.64170062"
                           y3="3.27002"
                           yFract="0.63254846"
                           z3="6.54866"
                           zFract="0.24886591"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51916"
                           xFract="0.27695727"
                           y3="1.51089"
                           yFract="0.29226462"
                           z3="8.66919"
                           zFract="0.34613278"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00405"
                           xFract="0.27695704"
                           y3="4.09568"
                           yFract="0.79226307"
                           z3="8.85162"
                           zFract="0.34613273"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50011"
                           xFract="0.77695626"
                           y3="1.51089"
                           yFract="0.29226462"
                           z3="8.85162"
                           zFract="0.34613272"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98501"
                           xFract="0.77695771"
                           y3="4.09568"
                           yFract="0.79226307"
                           z3="9.03405"
                           zFract="0.34613264"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28086"
                           xFract="0.29268771"
                           y3="2.67355"
                           yFract="0.51716807"
                           z3="10.53226"
                           zFract="0.41875342"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79596"
                           xFract="0.29268627"
                           y3="0.08876"
                           yFract="0.01716962"
                           z3="10.34983"
                           zFract="0.4187535"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26181"
                           xFract="0.79268671"
                           y3="2.67355"
                           yFract="0.51716807"
                           z3="10.71469"
                           zFract="0.41875335"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77692"
                           xFract="0.79268694"
                           y3="0.08876"
                           yFract="0.01716962"
                           z3="10.53226"
                           zFract="0.41875341"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97859"
                           xFract="0.11296984"
                           y3="0.53105"
                           yFract="0.10272563"
                           z3="10.60045"
                           zFract="0.43041094"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46349"
                           xFract="0.11297032"
                           y3="3.11585"
                           yFract="0.60272602"
                           z3="10.78289"
                           zFract="0.43041125"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95955"
                           xFract="0.61297051"
                           y3="0.53105"
                           yFract="0.10272563"
                           z3="10.78289"
                           zFract="0.43041126"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44444"
                           xFract="0.61296931"
                           y3="3.11585"
                           yFract="0.60272602"
                           z3="10.96532"
                           zFract="0.43041119"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.2384"
                           xFract="0.14168987"
                           y3="0.68525"
                           yFract="0.13255388"
                           z3="6.18383"
                           zFract="0.24886738"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7233"
                           xFract="0.14169035"
                           y3="3.27005"
                           yFract="0.63255427"
                           z3="6.36626"
                           zFract="0.24886728"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21936"
                           xFract="0.64169054"
                           y3="0.68525"
                           yFract="0.13255388"
                           z3="6.36626"
                           zFract="0.24886728"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70425"
                           xFract="0.64168934"
                           y3="3.27005"
                           yFract="0.63255427"
                           z3="6.54869"
                           zFract="0.24886721"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51923"
                           xFract="0.27696901"
                           y3="1.51089"
                           yFract="0.29226462"
                           z3="8.66842"
                           zFract="0.34610111"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00412"
                           xFract="0.27696781"
                           y3="4.09569"
                           yFract="0.792265"
                           z3="8.85085"
                           zFract="0.34610104"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50018"
                           xFract="0.77696801"
                           y3="1.51089"
                           yFract="0.29226462"
                           z3="8.85085"
                           zFract="0.34610104"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98508"
                           xFract="0.77696848"
                           y3="4.09569"
                           yFract="0.792265"
                           z3="9.03329"
                           zFract="0.34610136"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28174"
                           xFract="0.2928912"
                           y3="2.67297"
                           yFract="0.51705588"
                           z3="10.53445"
                           zFract="0.41884164"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79684"
                           xFract="0.29289073"
                           y3="0.08817"
                           yFract="0.01705549"
                           z3="10.35202"
                           zFract="0.41884174"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26269"
                           xFract="0.7928902"
                           y3="2.67297"
                           yFract="0.51705588"
                           z3="10.71688"
                           zFract="0.41884157"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7778"
                           xFract="0.7928914"
                           y3="0.08817"
                           yFract="0.01705549"
                           z3="10.53445"
                           zFract="0.41884164"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97766"
                           xFract="0.11275315"
                           y3="0.53168"
                           yFract="0.1028475"
                           z3="10.59907"
                           zFract="0.4303559"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46256"
                           xFract="0.11275362"
                           y3="3.11648"
                           yFract="0.60284788"
                           z3="10.7815"
                           zFract="0.43035581"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95862"
                           xFract="0.61275382"
                           y3="0.53168"
                           yFract="0.1028475"
                           z3="10.7815"
                           zFract="0.43035581"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44352"
                           xFract="0.61275429"
                           y3="3.11648"
                           yFract="0.60284788"
                           z3="10.96394"
                           zFract="0.43035613"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
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                           zFract="0.15000013"/>
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                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
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                           x3="1.23826"
                           xFract="0.14165868"
                           y3="0.68533"
                           yFract="0.13256935"
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                           zFract="0.24887129"/>
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                           xFract="0.14165748"
                           y3="3.27013"
                           yFract="0.63256974"
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                           zFract="0.24887122"/>
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                           xFract="0.64165768"
                           y3="0.68533"
                           yFract="0.13256935"
                           z3="6.36635"
                           zFract="0.24887123"/>
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                           id="a12"
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                           y3="3.27013"
                           yFract="0.63256974"
                           z3="6.54879"
                           zFract="0.24887154"/>
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                           id="a13"
                           x3="2.51944"
                           xFract="0.27700424"
                           y3="1.51089"
                           yFract="0.29226462"
                           z3="8.66613"
                           zFract="0.34600691"/>
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                           x3="4.00433"
                           xFract="0.27700304"
                           y3="4.09569"
                           yFract="0.792265"
                           z3="8.84856"
                           zFract="0.34600684"/>
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                           id="a15"
                           x3="5.50039"
                           xFract="0.77700323"
                           y3="1.51089"
                           yFract="0.29226462"
                           z3="8.84856"
                           zFract="0.34600684"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98529"
                           xFract="0.77700371"
                           y3="4.09569"
                           yFract="0.792265"
                           z3="9.03099"
                           zFract="0.34600675"/>
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                           id="a17"
                           x3="3.28437"
                           xFract="0.29350096"
                           y3="2.67122"
                           yFract="0.51671736"
                           z3="10.54102"
                           zFract="0.41910635"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79947"
                           xFract="0.29349952"
                           y3="0.08643"
                           yFract="0.01671891"
                           z3="10.35858"
                           zFract="0.41910602"/>
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                           x3="6.26532"
                           xFract="0.79349996"
                           y3="2.67122"
                           yFract="0.51671736"
                           z3="10.72345"
                           zFract="0.41910628"/>
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                           id="a20"
                           x3="4.78043"
                           xFract="0.79350019"
                           y3="0.08643"
                           yFract="0.01671891"
                           z3="10.54102"
                           zFract="0.41910634"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97488"
                           xFract="0.1121057"
                           y3="0.53356"
                           yFract="0.10321116"
                           z3="10.59492"
                           zFract="0.43019038"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45978"
                           xFract="0.11210618"
                           y3="3.11836"
                           yFract="0.60321155"
                           z3="10.77736"
                           zFract="0.43019069"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95584"
                           xFract="0.61210637"
                           y3="0.53356"
                           yFract="0.10321116"
                           z3="10.77736"
                           zFract="0.43019069"/>
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                           id="a24"
                           x3="5.44073"
                           xFract="0.61210517"
                           y3="3.11836"
                           yFract="0.60321155"
                           z3="10.95979"
                           zFract="0.43019062"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23797"
                           xFract="0.14159366"
                           y3="0.6855"
                           yFract="0.13260224"
                           z3="6.18411"
                           zFract="0.24887954"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72287"
                           xFract="0.14159414"
                           y3="3.2703"
                           yFract="0.63260263"
                           z3="6.36654"
                           zFract="0.24887945"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21893"
                           xFract="0.64159433"
                           y3="0.6855"
                           yFract="0.13260224"
                           z3="6.36654"
                           zFract="0.24887945"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70382"
                           xFract="0.64159313"
                           y3="3.2703"
                           yFract="0.63260263"
                           z3="6.54897"
                           zFract="0.24887938"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51986"
                           xFract="0.27707372"
                           y3="1.5109"
                           yFract="0.29226655"
                           z3="8.66154"
                           zFract="0.34581808"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00476"
                           xFract="0.2770742"
                           y3="4.0957"
                           yFract="0.79226694"
                           z3="8.84397"
                           zFract="0.34581798"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50082"
                           xFract="0.77707439"
                           y3="1.5109"
                           yFract="0.29226655"
                           z3="8.84397"
                           zFract="0.34581799"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98571"
                           xFract="0.77707319"
                           y3="4.0957"
                           yFract="0.79226694"
                           z3="9.0264"
                           zFract="0.34581792"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28963"
                           xFract="0.29471952"
                           y3="2.66773"
                           yFract="0.51604226"
                           z3="10.55415"
                           zFract="0.41963535"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80474"
                           xFract="0.29472072"
                           y3="0.08293"
                           yFract="0.01604187"
                           z3="10.37172"
                           zFract="0.41963541"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.27059"
                           xFract="0.79472019"
                           y3="2.66773"
                           yFract="0.51604226"
                           z3="10.73658"
                           zFract="0.41963525"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78569"
                           xFract="0.79471971"
                           y3="0.08293"
                           yFract="0.01604187"
                           z3="10.55415"
                           zFract="0.41963535"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96932"
                           xFract="0.11081081"
                           y3="0.53732"
                           yFract="0.10393849"
                           z3="10.58663"
                           zFract="0.42985973"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45422"
                           xFract="0.11081129"
                           y3="3.12212"
                           yFract="0.60393888"
                           z3="10.76906"
                           zFract="0.42985963"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95028"
                           xFract="0.61081148"
                           y3="0.53732"
                           yFract="0.10393849"
                           z3="10.76906"
                           zFract="0.42985964"/>
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                           id="a24"
                           x3="5.43517"
                           xFract="0.61081028"
                           y3="3.12212"
                           yFract="0.60393888"
                           z3="10.95149"
                           zFract="0.42985957"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
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                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.2380"
                           xFract="0.14160062"
                           y3="0.68548"
                           yFract="0.13259837"
                           z3="6.18409"
                           zFract="0.24887868"/>
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                           id="a10"
                           x3="2.7229"
                           xFract="0.1416011"
                           y3="3.27028"
                           yFract="0.63259876"
                           z3="6.36652"
                           zFract="0.24887859"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21896"
                           xFract="0.64160129"
                           y3="0.68548"
                           yFract="0.13259837"
                           z3="6.36652"
                           zFract="0.24887859"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70385"
                           xFract="0.64160009"
                           y3="3.27028"
                           yFract="0.63259876"
                           z3="6.54895"
                           zFract="0.24887852"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51982"
                           xFract="0.27706701"
                           y3="1.5109"
                           yFract="0.29226655"
                           z3="8.66202"
                           zFract="0.34583781"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00471"
                           xFract="0.27706581"
                           y3="4.0957"
                           yFract="0.79226694"
                           z3="8.84445"
                           zFract="0.34583774"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50077"
                           xFract="0.777066"
                           y3="1.5109"
                           yFract="0.29226655"
                           z3="8.84445"
                           zFract="0.34583775"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98567"
                           xFract="0.77706648"
                           y3="4.0957"
                           yFract="0.79226694"
                           z3="9.02688"
                           zFract="0.34583765"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28908"
                           xFract="0.29459161"
                           y3="2.6681"
                           yFract="0.51611383"
                           z3="10.55278"
                           zFract="0.41958014"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80418"
                           xFract="0.29459113"
                           y3="0.0833"
                           yFract="0.01611344"
                           z3="10.37034"
                           zFract="0.41957983"/>
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                           id="a19"
                           x3="6.27004"
                           xFract="0.79459228"
                           y3="2.6681"
                           yFract="0.51611383"
                           z3="10.73521"
                           zFract="0.41958005"/>
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                           id="a20"
                           x3="4.78514"
                           xFract="0.79459181"
                           y3="0.0833"
                           yFract="0.01611344"
                           z3="10.55278"
                           zFract="0.41958015"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9699"
                           xFract="0.11094567"
                           y3="0.53693"
                           yFract="0.10386305"
                           z3="10.5875"
                           zFract="0.42989443"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4548"
                           xFract="0.11094615"
                           y3="3.12173"
                           yFract="0.60386344"
                           z3="10.76993"
                           zFract="0.42989434"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95086"
                           xFract="0.61094635"
                           y3="0.53693"
                           yFract="0.10386305"
                           z3="10.76993"
                           zFract="0.42989434"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43575"
                           xFract="0.61094515"
                           y3="3.12173"
                           yFract="0.60386344"
                           z3="10.95236"
                           zFract="0.42989427"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23797"
                           xFract="0.1415898"
                           y3="0.68554"
                           yFract="0.13260998"
                           z3="6.18385"
                           zFract="0.24886885"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72286"
                           xFract="0.14158861"
                           y3="3.27034"
                           yFract="0.63261036"
                           z3="6.36629"
                           zFract="0.24886919"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21892"
                           xFract="0.6415888"
                           y3="0.68554"
                           yFract="0.13260998"
                           z3="6.36629"
                           zFract="0.24886919"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70382"
                           xFract="0.64158928"
                           y3="3.27034"
                           yFract="0.63261036"
                           z3="6.54872"
                           zFract="0.2488691"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51996"
                           xFract="0.27710495"
                           y3="1.51075"
                           yFract="0.29223754"
                           z3="8.66278"
                           zFract="0.34586877"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00485"
                           xFract="0.27710375"
                           y3="4.09555"
                           yFract="0.79223792"
                           z3="8.84522"
                           zFract="0.34586911"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50091"
                           xFract="0.77710394"
                           y3="1.51075"
                           yFract="0.29223754"
                           z3="8.84522"
                           zFract="0.34586911"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98581"
                           xFract="0.77710442"
                           y3="4.09555"
                           yFract="0.79223792"
                           z3="9.02765"
                           zFract="0.34586902"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28909"
                           xFract="0.29459907"
                           y3="2.66804"
                           yFract="0.51610223"
                           z3="10.55306"
                           zFract="0.41959166"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80419"
                           xFract="0.29459859"
                           y3="0.08324"
                           yFract="0.01610184"
                           z3="10.37063"
                           zFract="0.41959175"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.27004"
                           xFract="0.79459807"
                           y3="2.66804"
                           yFract="0.51610223"
                           z3="10.73549"
                           zFract="0.41959159"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78515"
                           xFract="0.79459926"
                           y3="0.08324"
                           yFract="0.01610184"
                           z3="10.55306"
                           zFract="0.41959166"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96972"
                           xFract="0.11089621"
                           y3="0.53713"
                           yFract="0.10390174"
                           z3="10.58673"
                           zFract="0.42986309"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45462"
                           xFract="0.11089765"
                           y3="3.12192"
                           yFract="0.60390019"
                           z3="10.76916"
                           zFract="0.42986301"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95068"
                           xFract="0.61089688"
                           y3="0.53713"
                           yFract="0.10390174"
                           z3="10.76916"
                           zFract="0.429863"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43557"
                           xFract="0.61089665"
                           y3="3.12192"
                           yFract="0.60390019"
                           z3="10.95159"
                           zFract="0.42986295"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
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                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               <molecule id="calculation.position.11">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23787"
                           xFract="0.14155569"
                           y3="0.68572"
                           yFract="0.13264479"
                           z3="6.18314"
                           zFract="0.2488398"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72276"
                           xFract="0.14155545"
                           y3="3.27051"
                           yFract="0.63264325"
                           z3="6.36558"
                           zFract="0.24884015"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21882"
                           xFract="0.64155468"
                           y3="0.68572"
                           yFract="0.13264479"
                           z3="6.36558"
                           zFract="0.24884014"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70372"
                           xFract="0.64155612"
                           y3="3.27051"
                           yFract="0.63264325"
                           z3="6.54801"
                           zFract="0.24884006"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52037"
                           xFract="0.27721708"
                           y3="1.5103"
                           yFract="0.29215049"
                           z3="8.66508"
                           zFract="0.34596248"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00527"
                           xFract="0.27721755"
                           y3="4.0951"
                           yFract="0.79215088"
                           z3="8.84751"
                           zFract="0.34596239"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50133"
                           xFract="0.77721775"
                           y3="1.5103"
                           yFract="0.29215049"
                           z3="8.84751"
                           zFract="0.34596239"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98622"
                           xFract="0.77721655"
                           y3="4.0951"
                           yFract="0.79215088"
                           z3="9.02994"
                           zFract="0.34596232"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28911"
                           xFract="0.29462073"
                           y3="2.66785"
                           yFract="0.51606547"
                           z3="10.55391"
                           zFract="0.41962666"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80422"
                           xFract="0.29462097"
                           y3="0.08306"
                           yFract="0.01606702"
                           z3="10.37148"
                           zFract="0.41962671"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.27007"
                           xFract="0.7946214"
                           y3="2.66785"
                           yFract="0.51606547"
                           z3="10.73634"
                           zFract="0.41962656"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78517"
                           xFract="0.79461996"
                           y3="0.08306"
                           yFract="0.01606702"
                           z3="10.55391"
                           zFract="0.41962664"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96918"
                           xFract="0.11074879"
                           y3="0.53772"
                           yFract="0.10401587"
                           z3="10.58442"
                           zFract="0.4297691"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45407"
                           xFract="0.11074855"
                           y3="3.12251"
                           yFract="0.60401432"
                           z3="10.76685"
                           zFract="0.42976904"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95013"
                           xFract="0.61074778"
                           y3="0.53772"
                           yFract="0.10401587"
                           z3="10.76685"
                           zFract="0.42976903"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43503"
                           xFract="0.61074922"
                           y3="3.12251"
                           yFract="0.60401432"
                           z3="10.94929"
                           zFract="0.42976936"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23767"
                           xFract="0.14148842"
                           y3="0.68607"
                           yFract="0.1327125"
                           z3="6.18172"
                           zFract="0.2487817"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72257"
                           xFract="0.14148889"
                           y3="3.27087"
                           yFract="0.63271289"
                           z3="6.36416"
                           zFract="0.24878202"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21863"
                           xFract="0.64148909"
                           y3="0.68607"
                           yFract="0.1327125"
                           z3="6.36416"
                           zFract="0.24878202"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70352"
                           xFract="0.64148789"
                           y3="3.27087"
                           yFract="0.63271289"
                           z3="6.54659"
                           zFract="0.24878195"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5212"
                           xFract="0.27744205"
                           y3="1.50941"
                           yFract="0.29197833"
                           z3="8.66966"
                           zFract="0.34614905"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0061"
                           xFract="0.27744253"
                           y3="4.09421"
                           yFract="0.79197872"
                           z3="8.85209"
                           zFract="0.34614895"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50216"
                           xFract="0.77744272"
                           y3="1.50941"
                           yFract="0.29197833"
                           z3="8.85209"
                           zFract="0.34614895"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98706"
                           xFract="0.7774432"
                           y3="4.09421"
                           yFract="0.79197872"
                           z3="9.03452"
                           zFract="0.34614886"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28917"
                           xFract="0.29466549"
                           y3="2.66749"
                           yFract="0.51599583"
                           z3="10.55561"
                           zFract="0.41969657"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80427"
                           xFract="0.29466501"
                           y3="0.08269"
                           yFract="0.01599545"
                           z3="10.37318"
                           zFract="0.41969666"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.27012"
                           xFract="0.79466448"
                           y3="2.66749"
                           yFract="0.51599583"
                           z3="10.73804"
                           zFract="0.4196965"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78523"
                           xFract="0.79466568"
                           y3="0.08269"
                           yFract="0.01599545"
                           z3="10.55561"
                           zFract="0.41969657"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96809"
                           xFract="0.11045322"
                           y3="0.53889"
                           yFract="0.10424219"
                           z3="10.57981"
                           zFract="0.42958155"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45299"
                           xFract="0.1104537"
                           y3="3.12369"
                           yFract="0.60424258"
                           z3="10.76224"
                           zFract="0.42958145"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94905"
                           xFract="0.61045389"
                           y3="0.53889"
                           yFract="0.10424219"
                           z3="10.76224"
                           zFract="0.42958146"/>
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                           id="a24"
                           x3="5.43394"
                           xFract="0.61045269"
                           y3="3.12369"
                           yFract="0.60424258"
                           z3="10.94467"
                           zFract="0.42958139"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23728"
                           xFract="0.14135555"
                           y3="0.68677"
                           yFract="0.13284791"
                           z3="6.17888"
                           zFract="0.24866549"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72218"
                           xFract="0.14135603"
                           y3="3.27157"
                           yFract="0.63284829"
                           z3="6.36132"
                           zFract="0.2486658"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21824"
                           xFract="0.64135622"
                           y3="0.68677"
                           yFract="0.13284791"
                           z3="6.36132"
                           zFract="0.24866581"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70313"
                           xFract="0.64135502"
                           y3="3.27157"
                           yFract="0.63284829"
                           z3="6.54375"
                           zFract="0.24866574"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52287"
                           xFract="0.27789464"
                           y3="1.50762"
                           yFract="0.29163207"
                           z3="8.67883"
                           zFract="0.34652257"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00776"
                           xFract="0.27789344"
                           y3="4.09242"
                           yFract="0.79163246"
                           z3="8.86126"
                           zFract="0.3465225"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50382"
                           xFract="0.77789364"
                           y3="1.50762"
                           yFract="0.29163207"
                           z3="8.86126"
                           zFract="0.34652251"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98872"
                           xFract="0.77789411"
                           y3="4.09242"
                           yFract="0.79163246"
                           z3="9.04369"
                           zFract="0.34652241"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28927"
                           xFract="0.2947526"
                           y3="2.66676"
                           yFract="0.51585462"
                           z3="10.55901"
                           zFract="0.41983646"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80437"
                           xFract="0.29475212"
                           y3="0.08196"
                           yFract="0.01585424"
                           z3="10.37658"
                           zFract="0.41983655"/>
                     <atom elementType="O"
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                           x3="6.27023"
                           xFract="0.79475327"
                           y3="2.66676"
                           yFract="0.51585462"
                           z3="10.74144"
                           zFract="0.41983637"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78533"
                           xFract="0.79475279"
                           y3="0.08196"
                           yFract="0.01585424"
                           z3="10.55901"
                           zFract="0.41983646"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96591"
                           xFract="0.10986016"
                           y3="0.54125"
                           yFract="0.1046987"
                           z3="10.57058"
                           zFract="0.42920602"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45081"
                           xFract="0.10986064"
                           y3="3.12605"
                           yFract="0.60469909"
                           z3="10.75302"
                           zFract="0.42920633"/>
                     <atom elementType="H"
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                           x3="3.94687"
                           xFract="0.60986083"
                           y3="0.54125"
                           yFract="0.1046987"
                           z3="10.75302"
                           zFract="0.42920633"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43177"
                           xFract="0.60986131"
                           y3="3.12605"
                           yFract="0.60469909"
                           z3="10.93545"
                           zFract="0.42920624"/>
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                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a2 a5" 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23706"
                           xFract="0.14130805"
                           y3="0.68688"
                           yFract="0.13286918"
                           z3="6.1796"
                           zFract="0.24869533"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72195"
                           xFract="0.14130685"
                           y3="3.27168"
                           yFract="0.63286957"
                           z3="6.36203"
                           zFract="0.24869526"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21801"
                           xFract="0.64130704"
                           y3="0.68688"
                           yFract="0.13286918"
                           z3="6.36203"
                           zFract="0.24869527"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70291"
                           xFract="0.64130752"
                           y3="3.27168"
                           yFract="0.63286957"
                           z3="6.54446"
                           zFract="0.24869517"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52381"
                           xFract="0.27811687"
                           y3="1.50695"
                           yFract="0.29150247"
                           z3="8.67999"
                           zFract="0.34656864"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0087"
                           xFract="0.27811567"
                           y3="4.09175"
                           yFract="0.79150286"
                           z3="8.86243"
                           zFract="0.34656898"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50476"
                           xFract="0.77811586"
                           y3="1.50695"
                           yFract="0.29150247"
                           z3="8.86243"
                           zFract="0.34656899"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98966"
                           xFract="0.77811634"
                           y3="4.09175"
                           yFract="0.79150286"
                           z3="9.04486"
                           zFract="0.34656889"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28708"
                           xFract="0.29425519"
                           y3="2.66811"
                           yFract="0.51611577"
                           z3="10.55971"
                           zFract="0.41986862"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80219"
                           xFract="0.29425639"
                           y3="0.08331"
                           yFract="0.01611538"
                           z3="10.37728"
                           zFract="0.41986869"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26804"
                           xFract="0.79425586"
                           y3="2.66811"
                           yFract="0.51611577"
                           z3="10.74214"
                           zFract="0.41986853"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78314"
                           xFract="0.79425538"
                           y3="0.08331"
                           yFract="0.01611538"
                           z3="10.55971"
                           zFract="0.41986862"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96714"
                           xFract="0.11010887"
                           y3="0.54081"
                           yFract="0.10461359"
                           z3="10.56858"
                           zFract="0.42912176"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45204"
                           xFract="0.11011031"
                           y3="3.1256"
                           yFract="0.60461204"
                           z3="10.75101"
                           zFract="0.42912168"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9481"
                           xFract="0.61010954"
                           y3="0.54081"
                           yFract="0.10461359"
                           z3="10.75101"
                           zFract="0.42912167"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43299"
                           xFract="0.61010931"
                           y3="3.1256"
                           yFract="0.60461204"
                           z3="10.93345"
                           zFract="0.42912202"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23717"
                           xFract="0.14133132"
                           y3="0.68683"
                           yFract="0.13285951"
                           z3="6.17923"
                           zFract="0.24867999"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72207"
                           xFract="0.14133276"
                           y3="3.27162"
                           yFract="0.63285796"
                           z3="6.36166"
                           zFract="0.24867991"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21813"
                           xFract="0.64133199"
                           y3="0.68683"
                           yFract="0.13285951"
                           z3="6.36166"
                           zFract="0.2486799"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70302"
                           xFract="0.64133175"
                           y3="3.27162"
                           yFract="0.63285796"
                           z3="6.5441"
                           zFract="0.24868026"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52333"
                           xFract="0.27800263"
                           y3="1.5073"
                           yFract="0.29157017"
                           z3="8.6794"
                           zFract="0.3465452"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00822"
                           xFract="0.2780024"
                           y3="4.09209"
                           yFract="0.79156863"
                           z3="8.86183"
                           zFract="0.34654515"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50428"
                           xFract="0.77800163"
                           y3="1.5073"
                           yFract="0.29157017"
                           z3="8.86183"
                           zFract="0.34654514"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98918"
                           xFract="0.77800307"
                           y3="4.09209"
                           yFract="0.79156863"
                           z3="9.04426"
                           zFract="0.34654506"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2882"
                           xFract="0.29450953"
                           y3="2.66742"
                           yFract="0.51598229"
                           z3="10.55935"
                           zFract="0.41985209"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80331"
                           xFract="0.29451073"
                           y3="0.08262"
                           yFract="0.01598191"
                           z3="10.37692"
                           zFract="0.41985216"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26916"
                           xFract="0.7945102"
                           y3="2.66742"
                           yFract="0.51598229"
                           z3="10.74178"
                           zFract="0.419852"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78426"
                           xFract="0.79450972"
                           y3="0.08262"
                           yFract="0.01598191"
                           z3="10.55935"
                           zFract="0.41985209"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96651"
                           xFract="0.109982"
                           y3="0.54103"
                           yFract="0.10465615"
                           z3="10.56961"
                           zFract="0.42916515"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45141"
                           xFract="0.10998248"
                           y3="3.12583"
                           yFract="0.60465653"
                           z3="10.75204"
                           zFract="0.42916506"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94747"
                           xFract="0.60998267"
                           y3="0.54103"
                           yFract="0.10465615"
                           z3="10.75204"
                           zFract="0.42916506"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43236"
                           xFract="0.60998147"
                           y3="3.12583"
                           yFract="0.60465653"
                           z3="10.93447"
                           zFract="0.42916499"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="4.48636"
                           xFract="0.33604611"
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                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           id="a9"
                           x3="1.23695"
                           xFract="0.14128671"
                           y3="0.68691"
                           yFract="0.13287499"
                           z3="6.18035"
                           zFract="0.24872625"/>
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                           id="a10"
                           x3="2.72185"
                           xFract="0.14128815"
                           y3="3.2717"
                           yFract="0.63287344"
                           z3="6.36278"
                           zFract="0.24872617"/>
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                           x3="4.21791"
                           xFract="0.64128738"
                           y3="0.68691"
                           yFract="0.13287499"
                           z3="6.36278"
                           zFract="0.24872615"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70281"
                           xFract="0.64128882"
                           y3="3.2717"
                           yFract="0.63287344"
                           z3="6.54521"
                           zFract="0.24872607"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52428"
                           xFract="0.27822076"
                           y3="1.50669"
                           yFract="0.29145218"
                           z3="8.67974"
                           zFract="0.34655762"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00918"
                           xFract="0.27822123"
                           y3="4.09149"
                           yFract="0.79145256"
                           z3="8.86218"
                           zFract="0.34655793"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50524"
                           xFract="0.77822143"
                           y3="1.50669"
                           yFract="0.29145218"
                           z3="8.86218"
                           zFract="0.34655793"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99013"
                           xFract="0.77822023"
                           y3="4.09149"
                           yFract="0.79145256"
                           z3="9.04461"
                           zFract="0.34655786"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28774"
                           xFract="0.29440443"
                           y3="2.66771"
                           yFract="0.51603839"
                           z3="10.55925"
                           zFract="0.41984873"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80284"
                           xFract="0.29440395"
                           y3="0.08291"
                           yFract="0.016038"
                           z3="10.37682"
                           zFract="0.41984883"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2687"
                           xFract="0.7944051"
                           y3="2.66771"
                           yFract="0.51603839"
                           z3="10.74169"
                           zFract="0.41984905"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7838"
                           xFract="0.79440462"
                           y3="0.08291"
                           yFract="0.016038"
                           z3="10.55925"
                           zFract="0.41984873"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96598"
                           xFract="0.10984492"
                           y3="0.54153"
                           yFract="0.10475287"
                           z3="10.56882"
                           zFract="0.42913344"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45088"
                           xFract="0.10984637"
                           y3="3.12632"
                           yFract="0.60475132"
                           z3="10.75125"
                           zFract="0.42913336"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94694"
                           xFract="0.6098456"
                           y3="0.54153"
                           yFract="0.10475287"
                           z3="10.75125"
                           zFract="0.42913335"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43184"
                           xFract="0.60984704"
                           y3="3.12632"
                           yFract="0.60475132"
                           z3="10.93368"
                           zFract="0.42913327"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.2363"
                           xFract="0.14115456"
                           y3="0.68715"
                           yFract="0.13292141"
                           z3="6.1837"
                           zFract="0.24886456"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7212"
                           xFract="0.14115504"
                           y3="3.27195"
                           yFract="0.6329218"
                           z3="6.36613"
                           zFract="0.24886447"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21726"
                           xFract="0.64115523"
                           y3="0.68715"
                           yFract="0.13292141"
                           z3="6.36613"
                           zFract="0.24886447"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70215"
                           xFract="0.64115403"
                           y3="3.27195"
                           yFract="0.6329218"
                           z3="6.54856"
                           zFract="0.2488644"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52714"
                           xFract="0.27887584"
                           y3="1.50487"
                           yFract="0.29110012"
                           z3="8.68079"
                           zFract="0.34659605"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01203"
                           xFract="0.27887464"
                           y3="4.08967"
                           yFract="0.7911005"
                           z3="8.86322"
                           zFract="0.34659598"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50809"
                           xFract="0.77887483"
                           y3="1.50487"
                           yFract="0.29110012"
                           z3="8.86322"
                           zFract="0.34659598"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99299"
                           xFract="0.77887531"
                           y3="4.08967"
                           yFract="0.7911005"
                           z3="9.04565"
                           zFract="0.34659588"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28634"
                           xFract="0.29408481"
                           y3="2.66859"
                           yFract="0.51620862"
                           z3="10.55897"
                           zFract="0.41983951"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80145"
                           xFract="0.29408601"
                           y3="0.08379"
                           yFract="0.01620823"
                           z3="10.37654"
                           zFract="0.41983958"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2673"
                           xFract="0.79408548"
                           y3="2.66859"
                           yFract="0.51620862"
                           z3="10.7414"
                           zFract="0.41983941"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7824"
                           xFract="0.79408501"
                           y3="0.08379"
                           yFract="0.01620823"
                           z3="10.55897"
                           zFract="0.41983951"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9644"
                           xFract="0.10943826"
                           y3="0.5430"
                           yFract="0.10503722"
                           z3="10.56645"
                           zFract="0.42903832"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.44929"
                           xFract="0.10943706"
                           y3="3.1278"
                           yFract="0.60503761"
                           z3="10.74888"
                           zFract="0.42903825"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94535"
                           xFract="0.60943726"
                           y3="0.5430"
                           yFract="0.10503722"
                           z3="10.74888"
                           zFract="0.42903825"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43025"
                           xFract="0.60943774"
                           y3="3.1278"
                           yFract="0.60503761"
                           z3="10.93132"
                           zFract="0.42903856"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
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                     <bond atomRefs2="a14 a15" order="S"/>
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                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.2350"
                           xFract="0.14088929"
                           y3="0.68764"
                           yFract="0.1330162"
                           z3="6.1904"
                           zFract="0.24914118"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.71989"
                           xFract="0.14088906"
                           y3="3.27243"
                           yFract="0.63301465"
                           z3="6.37283"
                           zFract="0.24914113"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21595"
                           xFract="0.64088829"
                           y3="0.68764"
                           yFract="0.1330162"
                           z3="6.37283"
                           zFract="0.24914112"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70085"
                           xFract="0.64088973"
                           y3="3.27243"
                           yFract="0.63301465"
                           z3="6.55526"
                           zFract="0.24914104"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53285"
                           xFract="0.28018336"
                           y3="1.50124"
                           yFract="0.29039793"
                           z3="8.68288"
                           zFract="0.34667251"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01775"
                           xFract="0.28018384"
                           y3="4.08604"
                           yFract="0.79039832"
                           z3="8.86531"
                           zFract="0.34667241"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51381"
                           xFract="0.78018403"
                           y3="1.50124"
                           yFract="0.29039793"
                           z3="8.86531"
                           zFract="0.34667241"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.9987"
                           xFract="0.78018283"
                           y3="4.08604"
                           yFract="0.79039832"
                           z3="9.04774"
                           zFract="0.34667234"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28355"
                           xFract="0.29344822"
                           y3="2.67034"
                           yFract="0.51654713"
                           z3="10.5584"
                           zFract="0.41982064"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79866"
                           xFract="0.29344942"
                           y3="0.08554"
                           yFract="0.01654675"
                           z3="10.37597"
                           zFract="0.41982071"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26451"
                           xFract="0.79344889"
                           y3="2.67034"
                           yFract="0.51654713"
                           z3="10.74083"
                           zFract="0.41982055"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77961"
                           xFract="0.79344841"
                           y3="0.08554"
                           yFract="0.01654675"
                           z3="10.5584"
                           zFract="0.41982064"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96122"
                           xFract="0.10861966"
                           y3="0.54596"
                           yFract="0.1056098"
                           z3="10.56172"
                           zFract="0.4288485"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.44612"
                           xFract="0.10862014"
                           y3="3.13076"
                           yFract="0.60561019"
                           z3="10.74415"
                           zFract="0.42884841"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94218"
                           xFract="0.60862033"
                           y3="0.54596"
                           yFract="0.1056098"
                           z3="10.74415"
                           zFract="0.42884841"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.42707"
                           xFract="0.60861913"
                           y3="3.13076"
                           yFract="0.60561019"
                           z3="10.92659"
                           zFract="0.42884875"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23466"
                           xFract="0.1408207"
                           y3="0.68776"
                           yFract="0.13303941"
                           z3="6.19212"
                           zFract="0.24921222"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.71956"
                           xFract="0.14082118"
                           y3="3.27256"
                           yFract="0.6330398"
                           z3="6.37455"
                           zFract="0.24921212"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21562"
                           xFract="0.64082137"
                           y3="0.68776"
                           yFract="0.13303941"
                           z3="6.37455"
                           zFract="0.24921213"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70051"
                           xFract="0.64082017"
                           y3="3.27256"
                           yFract="0.6330398"
                           z3="6.55699"
                           zFract="0.24921247"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53433"
                           xFract="0.28052121"
                           y3="1.50031"
                           yFract="0.29021804"
                           z3="8.68342"
                           zFract="0.34669224"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01922"
                           xFract="0.28052098"
                           y3="4.0851"
                           yFract="0.79021649"
                           z3="8.86585"
                           zFract="0.34669218"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51528"
                           xFract="0.78052021"
                           y3="1.50031"
                           yFract="0.29021804"
                           z3="8.86585"
                           zFract="0.34669217"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00018"
                           xFract="0.78052165"
                           y3="4.0851"
                           yFract="0.79021649"
                           z3="9.04828"
                           zFract="0.34669209"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28283"
                           xFract="0.29328409"
                           y3="2.67079"
                           yFract="0.51663418"
                           z3="10.55825"
                           zFract="0.41981565"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79794"
                           xFract="0.29328529"
                           y3="0.08599"
                           yFract="0.01663379"
                           z3="10.37582"
                           zFract="0.41981572"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26379"
                           xFract="0.79328476"
                           y3="2.67079"
                           yFract="0.51663418"
                           z3="10.74068"
                           zFract="0.41981556"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77889"
                           xFract="0.79328428"
                           y3="0.08599"
                           yFract="0.01663379"
                           z3="10.55825"
                           zFract="0.41981566"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9604"
                           xFract="0.10840793"
                           y3="0.54673"
                           yFract="0.10575875"
                           z3="10.5605"
                           zFract="0.42879953"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4453"
                           xFract="0.10840937"
                           y3="3.13152"
                           yFract="0.6057572"
                           z3="10.74293"
                           zFract="0.42879945"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94136"
                           xFract="0.6084086"
                           y3="0.54673"
                           yFract="0.10575875"
                           z3="10.74293"
                           zFract="0.42879944"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.42626"
                           xFract="0.60841004"
                           y3="3.13152"
                           yFract="0.6057572"
                           z3="10.92537"
                           zFract="0.42879977"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
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               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.2349"
                           xFract="0.14085807"
                           y3="0.68779"
                           yFract="0.13304521"
                           z3="6.19153"
                           zFract="0.24918744"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7198"
                           xFract="0.14085951"
                           y3="3.27258"
                           yFract="0.63304367"
                           z3="6.37396"
                           zFract="0.24918736"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21586"
                           xFract="0.64085874"
                           y3="0.68779"
                           yFract="0.13304521"
                           z3="6.37396"
                           zFract="0.24918735"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70076"
                           xFract="0.64086018"
                           y3="3.27258"
                           yFract="0.63304367"
                           z3="6.5564"
                           zFract="0.24918768"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5363"
                           xFract="0.28095282"
                           y3="1.49926"
                           yFract="0.29001493"
                           z3="8.6826"
                           zFract="0.34665528"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0212"
                           xFract="0.2809533"
                           y3="4.08406"
                           yFract="0.79001531"
                           z3="8.86503"
                           zFract="0.34665519"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51726"
                           xFract="0.78095349"
                           y3="1.49926"
                           yFract="0.29001493"
                           z3="8.86503"
                           zFract="0.34665519"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00216"
                           xFract="0.78095397"
                           y3="4.08406"
                           yFract="0.79001531"
                           z3="9.04746"
                           zFract="0.3466551"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2822"
                           xFract="0.29318516"
                           y3="2.67072"
                           yFract="0.51662064"
                           z3="10.55899"
                           zFract="0.4198476"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79731"
                           xFract="0.2931854"
                           y3="0.08593"
                           yFract="0.01662219"
                           z3="10.37655"
                           zFract="0.41984725"/>
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                           id="a19"
                           x3="6.26316"
                           xFract="0.79318584"
                           y3="2.67072"
                           yFract="0.51662064"
                           z3="10.74142"
                           zFract="0.41984751"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77826"
                           xFract="0.79318439"
                           y3="0.08593"
                           yFract="0.01662219"
                           z3="10.55899"
                           zFract="0.41984759"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.95825"
                           xFract="0.10788542"
                           y3="0.54841"
                           yFract="0.10608372"
                           z3="10.56058"
                           zFract="0.42880575"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.44315"
                           xFract="0.1078859"
                           y3="3.13321"
                           yFract="0.60608411"
                           z3="10.74302"
                           zFract="0.42880607"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.93921"
                           xFract="0.60788609"
                           y3="0.54841"
                           yFract="0.10608372"
                           z3="10.74302"
                           zFract="0.42880607"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.42411"
                           xFract="0.60788657"
                           y3="3.13321"
                           yFract="0.60608411"
                           z3="10.92545"
                           zFract="0.42880597"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23482"
                           xFract="0.14084561"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.19175"
                           zFract="0.24919665"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.71971"
                           xFract="0.14084538"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.37418"
                           zFract="0.2491966"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21577"
                           xFract="0.6408446"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.37418"
                           zFract="0.24919659"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70067"
                           xFract="0.64084605"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.55661"
                           zFract="0.24919651"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53558"
                           xFract="0.28079544"
                           y3="1.49964"
                           yFract="0.29008843"
                           z3="8.6829"
                           zFract="0.34666881"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02047"
                           xFract="0.28079424"
                           y3="4.08444"
                           yFract="0.79008882"
                           z3="8.86533"
                           zFract="0.34666874"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51653"
                           xFract="0.78079443"
                           y3="1.49964"
                           yFract="0.29008843"
                           z3="8.86533"
                           zFract="0.34666874"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00143"
                           xFract="0.78079491"
                           y3="4.08444"
                           yFract="0.79008882"
                           z3="9.04777"
                           zFract="0.34666906"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28243"
                           xFract="0.29322085"
                           y3="2.67075"
                           yFract="0.51662644"
                           z3="10.55872"
                           zFract="0.41983594"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79754"
                           xFract="0.29322205"
                           y3="0.08595"
                           yFract="0.01662606"
                           z3="10.37628"
                           zFract="0.4198356"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26339"
                           xFract="0.79322152"
                           y3="2.67075"
                           yFract="0.51662644"
                           z3="10.74115"
                           zFract="0.41983585"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77849"
                           xFract="0.79322105"
                           y3="0.08595"
                           yFract="0.01662606"
                           z3="10.55872"
                           zFract="0.41983594"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.95904"
                           xFract="0.10807767"
                           y3="0.54779"
                           yFract="0.10596379"
                           z3="10.56055"
                           zFract="0.42880344"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.44394"
                           xFract="0.10807815"
                           y3="3.13259"
                           yFract="0.60596418"
                           z3="10.74299"
                           zFract="0.42880376"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9400"
                           xFract="0.60807834"
                           y3="0.54779"
                           yFract="0.10596379"
                           z3="10.74299"
                           zFract="0.42880376"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4249"
                           xFract="0.60807882"
                           y3="3.13259"
                           yFract="0.60596418"
                           z3="10.92542"
                           zFract="0.42880367"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23492"
                           xFract="0.14086238"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.19151"
                           zFract="0.24918659"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.71981"
                           xFract="0.14086215"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.37394"
                           zFract="0.24918653"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21587"
                           xFract="0.64086138"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.37394"
                           zFract="0.24918652"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70077"
                           xFract="0.64086282"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.55637"
                           zFract="0.24918644"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53607"
                           xFract="0.28090268"
                           y3="1.49938"
                           yFract="0.29003814"
                           z3="8.68266"
                           zFract="0.34665814"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02097"
                           xFract="0.28090316"
                           y3="4.08418"
                           yFract="0.79003853"
                           z3="8.86509"
                           zFract="0.34665805"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51703"
                           xFract="0.78090335"
                           y3="1.49938"
                           yFract="0.29003814"
                           z3="8.86509"
                           zFract="0.34665805"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00192"
                           xFract="0.78090215"
                           y3="4.08418"
                           yFract="0.79003853"
                           z3="9.04753"
                           zFract="0.34665839"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2820"
                           xFract="0.29313813"
                           y3="2.67086"
                           yFract="0.51664772"
                           z3="10.55898"
                           zFract="0.41984749"/>
                     <atom elementType="O"
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                           x3="1.7971"
                           xFract="0.29313669"
                           y3="0.08607"
                           yFract="0.01664927"
                           z3="10.37655"
                           zFract="0.41984757"/>
                     <atom elementType="O"
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                           x3="6.26296"
                           xFract="0.7931388"
                           y3="2.67086"
                           yFract="0.51664772"
                           z3="10.74141"
                           zFract="0.4198474"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77806"
                           xFract="0.79313736"
                           y3="0.08607"
                           yFract="0.01664927"
                           z3="10.55898"
                           zFract="0.41984748"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.95874"
                           xFract="0.10799941"
                           y3="0.54808"
                           yFract="0.10601989"
                           z3="10.56057"
                           zFract="0.42880459"/>
                     <atom elementType="H"
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                           x3="2.44364"
                           xFract="0.10799989"
                           y3="3.13288"
                           yFract="0.60602028"
                           z3="10.7430"
                           zFract="0.4288045"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9397"
                           xFract="0.60800008"
                           y3="0.54808"
                           yFract="0.10601989"
                           z3="10.7430"
                           zFract="0.4288045"/>
                     <atom elementType="H"
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                           x3="5.42459"
                           xFract="0.60799888"
                           y3="3.13288"
                           yFract="0.60602028"
                           z3="10.92543"
                           zFract="0.42880443"/>
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                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23522"
                           xFract="0.1409127"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.19078"
                           zFract="0.24915597"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72011"
                           xFract="0.14091247"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.37322"
                           zFract="0.24915633"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21617"
                           xFract="0.6409117"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.37322"
                           zFract="0.24915632"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70107"
                           xFract="0.64091314"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.55565"
                           zFract="0.24915624"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53755"
                           xFract="0.28122512"
                           y3="1.49861"
                           yFract="0.28988919"
                           z3="8.68195"
                           zFract="0.34662651"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02245"
                           xFract="0.2812256"
                           y3="4.08341"
                           yFract="0.78988958"
                           z3="8.86438"
                           zFract="0.34662641"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51851"
                           xFract="0.78122579"
                           y3="1.49861"
                           yFract="0.28988919"
                           z3="8.86438"
                           zFract="0.34662642"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0034"
                           xFract="0.78122459"
                           y3="4.08341"
                           yFract="0.78988958"
                           z3="9.04681"
                           zFract="0.34662635"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28069"
                           xFract="0.29288468"
                           y3="2.67121"
                           yFract="0.51671543"
                           z3="10.55978"
                           zFract="0.41988299"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7958"
                           xFract="0.29288587"
                           y3="0.08641"
                           yFract="0.01671504"
                           z3="10.37735"
                           zFract="0.41988306"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26165"
                           xFract="0.79288535"
                           y3="2.67121"
                           yFract="0.51671543"
                           z3="10.74221"
                           zFract="0.4198829"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77675"
                           xFract="0.79288487"
                           y3="0.08641"
                           yFract="0.01671504"
                           z3="10.55978"
                           zFract="0.41988299"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.95783"
                           xFract="0.10776102"
                           y3="0.54897"
                           yFract="0.10619205"
                           z3="10.56061"
                           zFract="0.42880722"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.44272"
                           xFract="0.10775982"
                           y3="3.13377"
                           yFract="0.60619244"
                           z3="10.74304"
                           zFract="0.42880715"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.93878"
                           xFract="0.60776001"
                           y3="0.54897"
                           yFract="0.10619205"
                           z3="10.74304"
                           zFract="0.42880715"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.42368"
                           xFract="0.60776049"
                           y3="3.13377"
                           yFract="0.60619244"
                           z3="10.92547"
                           zFract="0.42880706"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23582"
                           xFract="0.14101334"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.18933"
                           zFract="0.24909516"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72071"
                           xFract="0.14101311"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.37177"
                           zFract="0.24909551"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21677"
                           xFract="0.64101234"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.37177"
                           zFract="0.2490955"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70167"
                           xFract="0.64101378"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.5542"
                           zFract="0.24909542"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54051"
                           xFract="0.28187096"
                           y3="1.49706"
                           yFract="0.28958936"
                           z3="8.68051"
                           zFract="0.34656244"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02541"
                           xFract="0.2818724"
                           y3="4.08185"
                           yFract="0.78958781"
                           z3="8.86294"
                           zFract="0.34656236"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52147"
                           xFract="0.78187163"
                           y3="1.49706"
                           yFract="0.28958936"
                           z3="8.86294"
                           zFract="0.34656235"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00637"
                           xFract="0.78187307"
                           y3="4.08185"
                           yFract="0.78958781"
                           z3="9.04538"
                           zFract="0.34656267"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27809"
                           xFract="0.29238305"
                           y3="2.67189"
                           yFract="0.51684696"
                           z3="10.56138"
                           zFract="0.41995396"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79319"
                           xFract="0.29238257"
                           y3="0.08709"
                           yFract="0.01684658"
                           z3="10.37895"
                           zFract="0.41995406"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25904"
                           xFract="0.79238204"
                           y3="2.67189"
                           yFract="0.51684696"
                           z3="10.74381"
                           zFract="0.4199539"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77415"
                           xFract="0.79238324"
                           y3="0.08709"
                           yFract="0.01684658"
                           z3="10.56138"
                           zFract="0.41995397"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9560"
                           xFract="0.10728352"
                           y3="0.55074"
                           yFract="0.10653444"
                           z3="10.56068"
                           zFract="0.4288121"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4409"
                           xFract="0.10728399"
                           y3="3.13554"
                           yFract="0.60653482"
                           z3="10.74311"
                           zFract="0.428812"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.93696"
                           xFract="0.60728419"
                           y3="0.55074"
                           yFract="0.10653444"
                           z3="10.74311"
                           zFract="0.42881201"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.42185"
                           xFract="0.60728299"
                           y3="3.13554"
                           yFract="0.60653482"
                           z3="10.92555"
                           zFract="0.42881235"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
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                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
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                     <bond atomRefs2="a9 a13" order="S"/>
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                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
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                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
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                     <bond atomRefs2="a12 a16" order="S"/>
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                     <bond atomRefs2="a13 a18" order="S"/>
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                     <bond atomRefs2="a14 a17" order="S"/>
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                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23702"
                           xFract="0.14121462"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.18644"
                           zFract="0.24897393"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72192"
                           xFract="0.14121606"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.36887"
                           zFract="0.24897385"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21798"
                           xFract="0.64121529"
                           y3="0.68778"
                           yFract="0.13304328"
                           z3="6.36887"
                           zFract="0.24897384"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70287"
                           xFract="0.64121506"
                           y3="3.27257"
                           yFract="0.63304173"
                           z3="6.5513"
                           zFract="0.24897378"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54644"
                           xFract="0.28316527"
                           y3="1.49395"
                           yFract="0.28898777"
                           z3="8.67765"
                           zFract="0.34643511"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03133"
                           xFract="0.28316407"
                           y3="4.07875"
                           yFract="0.78898815"
                           z3="8.86008"
                           zFract="0.34643504"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52739"
                           xFract="0.78316427"
                           y3="1.49395"
                           yFract="0.28898777"
                           z3="8.86008"
                           zFract="0.34643504"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01229"
                           xFract="0.78316475"
                           y3="4.07875"
                           yFract="0.78898815"
                           z3="9.04251"
                           zFract="0.34643494"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27287"
                           xFract="0.29137548"
                           y3="2.67326"
                           yFract="0.51711198"
                           z3="10.56458"
                           zFract="0.42009595"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78797"
                           xFract="0.29137501"
                           y3="0.08846"
                           yFract="0.01711159"
                           z3="10.38215"
                           zFract="0.42009604"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25383"
                           xFract="0.79137615"
                           y3="2.67326"
                           yFract="0.51711198"
                           z3="10.74701"
                           zFract="0.42009586"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76893"
                           xFract="0.79137568"
                           y3="0.08846"
                           yFract="0.01711159"
                           z3="10.56458"
                           zFract="0.42009595"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.95235"
                           xFract="0.10632923"
                           y3="0.55429"
                           yFract="0.10722114"
                           z3="10.56083"
                           zFract="0.42882223"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43725"
                           xFract="0.10633067"
                           y3="3.13908"
                           yFract="0.6072196"
                           z3="10.74327"
                           zFract="0.42882256"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.93331"
                           xFract="0.6063299"
                           y3="0.55429"
                           yFract="0.10722114"
                           z3="10.74327"
                           zFract="0.42882255"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4182"
                           xFract="0.60632966"
                           y3="3.13908"
                           yFract="0.6072196"
                           z3="10.9257"
                           zFract="0.42882249"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23753"
                           xFract="0.14130498"
                           y3="0.68773"
                           yFract="0.13303361"
                           z3="6.1855"
                           zFract="0.24893428"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72242"
                           xFract="0.14130378"
                           y3="3.27253"
                           yFract="0.63303399"
                           z3="6.36793"
                           zFract="0.24893421"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21848"
                           xFract="0.64130397"
                           y3="0.68773"
                           yFract="0.13303361"
                           z3="6.36793"
                           zFract="0.24893421"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70338"
                           xFract="0.64130445"
                           y3="3.27253"
                           yFract="0.63303399"
                           z3="6.55037"
                           zFract="0.24893452"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54818"
                           xFract="0.28354385"
                           y3="1.49305"
                           yFract="0.28881367"
                           z3="8.67749"
                           zFract="0.34642551"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03307"
                           xFract="0.28354265"
                           y3="4.07785"
                           yFract="0.78881406"
                           z3="8.85992"
                           zFract="0.34642544"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52913"
                           xFract="0.78354284"
                           y3="1.49305"
                           yFract="0.28881367"
                           z3="8.85992"
                           zFract="0.34642544"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01403"
                           xFract="0.78354332"
                           y3="4.07785"
                           yFract="0.78881406"
                           z3="9.04236"
                           zFract="0.34642576"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27129"
                           xFract="0.29107674"
                           y3="2.67361"
                           yFract="0.51717968"
                           z3="10.56485"
                           zFract="0.42011044"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7864"
                           xFract="0.29107794"
                           y3="0.08881"
                           yFract="0.01717929"
                           z3="10.38241"
                           zFract="0.4201101"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25225"
                           xFract="0.79107741"
                           y3="2.67361"
                           yFract="0.51717968"
                           z3="10.74728"
                           zFract="0.42011035"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76735"
                           xFract="0.79107694"
                           y3="0.08881"
                           yFract="0.01717929"
                           z3="10.56485"
                           zFract="0.42011044"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.95097"
                           xFract="0.10598213"
                           y3="0.55549"
                           yFract="0.10745327"
                           z3="10.5610"
                           zFract="0.4288309"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43586"
                           xFract="0.10598093"
                           y3="3.14029"
                           yFract="0.60745366"
                           z3="10.74343"
                           zFract="0.42883083"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.93192"
                           xFract="0.60598112"
                           y3="0.55549"
                           yFract="0.10745327"
                           z3="10.74343"
                           zFract="0.42883083"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41682"
                           xFract="0.6059816"
                           y3="3.14029"
                           yFract="0.60745366"
                           z3="10.92586"
                           zFract="0.42883074"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
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                     <bond atomRefs2="a15 a16" order="S"/>
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                     <bond atomRefs2="a19 a24" order="S"/>
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                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
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                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           id="a9"
                           x3="1.23846"
                           xFract="0.14146868"
                           y3="0.68765"
                           yFract="0.13301813"
                           z3="6.18377"
                           zFract="0.24886129"/>
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                           id="a10"
                           x3="2.72336"
                           xFract="0.14146916"
                           y3="3.27245"
                           yFract="0.63301852"
                           z3="6.36621"
                           zFract="0.24886161"/>
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                           xFract="0.64146935"
                           y3="0.68765"
                           yFract="0.13301813"
                           z3="6.36621"
                           zFract="0.24886161"/>
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                           id="a12"
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                           xFract="0.64146983"
                           y3="3.27245"
                           yFract="0.63301852"
                           z3="6.54864"
                           zFract="0.24886152"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5514"
                           xFract="0.28424486"
                           y3="1.49138"
                           yFract="0.28849063"
                           z3="8.67721"
                           zFract="0.34640841"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03629"
                           xFract="0.28424366"
                           y3="4.07618"
                           yFract="0.78849102"
                           z3="8.85964"
                           zFract="0.34640834"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53235"
                           xFract="0.78424385"
                           y3="1.49138"
                           yFract="0.28849063"
                           z3="8.85964"
                           zFract="0.34640835"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01725"
                           xFract="0.78424433"
                           y3="4.07618"
                           yFract="0.78849102"
                           z3="9.04207"
                           zFract="0.34640825"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26838"
                           xFract="0.29052794"
                           y3="2.67424"
                           yFract="0.51730155"
                           z3="10.56534"
                           zFract="0.42013686"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78348"
                           xFract="0.29052746"
                           y3="0.08944"
                           yFract="0.01730116"
                           z3="10.3829"
                           zFract="0.42013654"/>
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                           id="a19"
                           x3="6.24933"
                           xFract="0.79052693"
                           y3="2.67424"
                           yFract="0.51730155"
                           z3="10.74777"
                           zFract="0.42013679"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76444"
                           xFract="0.79052813"
                           y3="0.08944"
                           yFract="0.01730116"
                           z3="10.56534"
                           zFract="0.42013686"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94841"
                           xFract="0.10533883"
                           y3="0.55771"
                           yFract="0.1078827"
                           z3="10.5613"
                           zFract="0.42884636"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43331"
                           xFract="0.1053393"
                           y3="3.14251"
                           yFract="0.60788309"
                           z3="10.74373"
                           zFract="0.42884627"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92937"
                           xFract="0.6053395"
                           y3="0.55771"
                           yFract="0.1078827"
                           z3="10.74373"
                           zFract="0.42884627"/>
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                           id="a24"
                           x3="5.41426"
                           xFract="0.6053383"
                           y3="3.14251"
                           yFract="0.60788309"
                           z3="10.92617"
                           zFract="0.42884661"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.28">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
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                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.2387"
                           xFract="0.14151472"
                           y3="0.68759"
                           yFract="0.13300653"
                           z3="6.18369"
                           zFract="0.24885751"/>
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                           id="a10"
                           x3="2.7236"
                           xFract="0.14151519"
                           y3="3.27239"
                           yFract="0.63300691"
                           z3="6.36613"
                           zFract="0.24885782"/>
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                           x3="4.21966"
                           xFract="0.64151539"
                           y3="0.68759"
                           yFract="0.13300653"
                           z3="6.36613"
                           zFract="0.24885782"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70456"
                           xFract="0.64151587"
                           y3="3.27239"
                           yFract="0.63300691"
                           z3="6.54856"
                           zFract="0.24885773"/>
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                           id="a13"
                           x3="2.55153"
                           xFract="0.28427052"
                           y3="1.49134"
                           yFract="0.28848289"
                           z3="8.67819"
                           zFract="0.34644823"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03643"
                           xFract="0.284271"
                           y3="4.07614"
                           yFract="0.78848328"
                           z3="8.86063"
                           zFract="0.34644855"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53249"
                           xFract="0.78427119"
                           y3="1.49134"
                           yFract="0.28848289"
                           z3="8.86063"
                           zFract="0.34644855"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01738"
                           xFract="0.78426999"
                           y3="4.07614"
                           yFract="0.78848328"
                           z3="9.04306"
                           zFract="0.34644848"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2679"
                           xFract="0.29044357"
                           y3="2.67428"
                           yFract="0.51730928"
                           z3="10.56449"
                           zFract="0.42010323"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7830"
                           xFract="0.29044213"
                           y3="0.08949"
                           yFract="0.01731083"
                           z3="10.38205"
                           zFract="0.4201029"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24885"
                           xFract="0.79044257"
                           y3="2.67428"
                           yFract="0.51730928"
                           z3="10.74692"
                           zFract="0.42010316"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76396"
                           xFract="0.7904428"
                           y3="0.08949"
                           yFract="0.01731083"
                           z3="10.56449"
                           zFract="0.42010322"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9482"
                           xFract="0.10528722"
                           y3="0.55788"
                           yFract="0.10791559"
                           z3="10.56132"
                           zFract="0.42884746"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43309"
                           xFract="0.10528602"
                           y3="3.14268"
                           yFract="0.60791598"
                           z3="10.74376"
                           zFract="0.4288478"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92915"
                           xFract="0.60528621"
                           y3="0.55788"
                           yFract="0.10791559"
                           z3="10.74376"
                           zFract="0.4288478"/>
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                           id="a24"
                           x3="5.41405"
                           xFract="0.60528669"
                           y3="3.14268"
                           yFract="0.60791598"
                           z3="10.92619"
                           zFract="0.42884771"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
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                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
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                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23943"
                           xFract="0.1416545"
                           y3="0.68741"
                           yFract="0.13297171"
                           z3="6.18345"
                           zFract="0.24884612"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72432"
                           xFract="0.14165331"
                           y3="3.27221"
                           yFract="0.63297209"
                           z3="6.36588"
                           zFract="0.24884605"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22038"
                           xFract="0.6416535"
                           y3="0.68741"
                           yFract="0.13297171"
                           z3="6.36588"
                           zFract="0.24884606"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70528"
                           xFract="0.64165398"
                           y3="3.27221"
                           yFract="0.63297209"
                           z3="6.54832"
                           zFract="0.24884637"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55193"
                           xFract="0.28434917"
                           y3="1.49122"
                           yFract="0.28845968"
                           z3="8.68115"
                           zFract="0.34656849"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03683"
                           xFract="0.28434965"
                           y3="4.07602"
                           yFract="0.78846007"
                           z3="8.86358"
                           zFract="0.3465684"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53289"
                           xFract="0.78434985"
                           y3="1.49122"
                           yFract="0.28845968"
                           z3="8.86358"
                           zFract="0.3465684"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01779"
                           xFract="0.78435032"
                           y3="4.07602"
                           yFract="0.78846007"
                           z3="9.04602"
                           zFract="0.34656871"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26645"
                           xFract="0.29018687"
                           y3="2.67442"
                           yFract="0.51733636"
                           z3="10.56194"
                           zFract="0.42000235"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78155"
                           xFract="0.2901864"
                           y3="0.08962"
                           yFract="0.01733598"
                           z3="10.37951"
                           zFract="0.42000244"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24741"
                           xFract="0.79018754"
                           y3="2.67442"
                           yFract="0.51733636"
                           z3="10.74437"
                           zFract="0.42000225"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76251"
                           xFract="0.79018707"
                           y3="0.08962"
                           yFract="0.01733598"
                           z3="10.56194"
                           zFract="0.42000235"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94756"
                           xFract="0.10513169"
                           y3="0.55838"
                           yFract="0.10801231"
                           z3="10.56139"
                           zFract="0.4288512"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43246"
                           xFract="0.10513314"
                           y3="3.14317"
                           yFract="0.60801076"
                           z3="10.74382"
                           zFract="0.42885112"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92852"
                           xFract="0.60513237"
                           y3="0.55838"
                           yFract="0.10801231"
                           z3="10.74382"
                           zFract="0.42885111"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41342"
                           xFract="0.60513381"
                           y3="3.14317"
                           yFract="0.60801076"
                           z3="10.92625"
                           zFract="0.42885103"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23941"
                           xFract="0.14165019"
                           y3="0.68742"
                           yFract="0.13297364"
                           z3="6.18346"
                           zFract="0.24884657"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7243"
                           xFract="0.14164899"
                           y3="3.27222"
                           yFract="0.63297403"
                           z3="6.36589"
                           zFract="0.2488465"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22036"
                           xFract="0.64164918"
                           y3="0.68742"
                           yFract="0.13297364"
                           z3="6.36589"
                           zFract="0.2488465"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70526"
                           xFract="0.64164966"
                           y3="3.27222"
                           yFract="0.63297403"
                           z3="6.54832"
                           zFract="0.24884641"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55192"
                           xFract="0.2843475"
                           y3="1.49122"
                           yFract="0.28845968"
                           z3="8.68108"
                           zFract="0.34656565"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03682"
                           xFract="0.28434798"
                           y3="4.07602"
                           yFract="0.78846007"
                           z3="8.86351"
                           zFract="0.34656556"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53288"
                           xFract="0.78434817"
                           y3="1.49122"
                           yFract="0.28845968"
                           z3="8.86351"
                           zFract="0.34656556"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01778"
                           xFract="0.78434865"
                           y3="4.07602"
                           yFract="0.78846007"
                           z3="9.04594"
                           zFract="0.34656547"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26649"
                           xFract="0.29019358"
                           y3="2.67442"
                           yFract="0.51733636"
                           z3="10.56201"
                           zFract="0.42000511"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78159"
                           xFract="0.2901931"
                           y3="0.08962"
                           yFract="0.01733598"
                           z3="10.37957"
                           zFract="0.42000479"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24744"
                           xFract="0.79019258"
                           y3="2.67442"
                           yFract="0.51733636"
                           z3="10.74444"
                           zFract="0.42000504"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76255"
                           xFract="0.79019378"
                           y3="0.08962"
                           yFract="0.01733598"
                           z3="10.56201"
                           zFract="0.42000511"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94758"
                           xFract="0.10513698"
                           y3="0.55836"
                           yFract="0.10800844"
                           z3="10.56139"
                           zFract="0.42885118"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43248"
                           xFract="0.10513745"
                           y3="3.14316"
                           yFract="0.60800883"
                           z3="10.74382"
                           zFract="0.42885109"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92854"
                           xFract="0.60513765"
                           y3="0.55836"
                           yFract="0.10800844"
                           z3="10.74382"
                           zFract="0.42885109"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41343"
                           xFract="0.60513645"
                           y3="3.14316"
                           yFract="0.60800883"
                           z3="10.92625"
                           zFract="0.42885102"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23964"
                           xFract="0.14170033"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.1838"
                           zFract="0.24886007"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72453"
                           xFract="0.14169913"
                           y3="3.2721"
                           yFract="0.63295081"
                           z3="6.36623"
                           zFract="0.24886"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22059"
                           xFract="0.64169932"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.36623"
                           zFract="0.24886001"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70549"
                           xFract="0.6416998"
                           y3="3.2721"
                           yFract="0.63295081"
                           z3="6.54866"
                           zFract="0.24885991"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55176"
                           xFract="0.28431584"
                           y3="1.49127"
                           yFract="0.28846935"
                           z3="8.68122"
                           zFract="0.34657171"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03666"
                           xFract="0.28431728"
                           y3="4.07606"
                           yFract="0.7884678"
                           z3="8.86365"
                           zFract="0.34657163"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53272"
                           xFract="0.78431651"
                           y3="1.49127"
                           yFract="0.28846935"
                           z3="8.86365"
                           zFract="0.34657162"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01761"
                           xFract="0.78431628"
                           y3="4.07606"
                           yFract="0.7884678"
                           z3="9.04608"
                           zFract="0.34657156"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26645"
                           xFract="0.29017627"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.56206"
                           zFract="0.4200071"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78155"
                           xFract="0.2901758"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.37962"
                           zFract="0.42000678"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24741"
                           xFract="0.79017695"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.74449"
                           zFract="0.420007"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76251"
                           xFract="0.79017647"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.56206"
                           zFract="0.4200071"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94734"
                           xFract="0.10508998"
                           y3="0.55843"
                           yFract="0.10802198"
                           z3="10.56127"
                           zFract="0.42884677"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43223"
                           xFract="0.10508974"
                           y3="3.14322"
                           yFract="0.60802043"
                           z3="10.7437"
                           zFract="0.42884672"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92829"
                           xFract="0.60508897"
                           y3="0.55843"
                           yFract="0.10802198"
                           z3="10.7437"
                           zFract="0.4288467"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41319"
                           xFract="0.60509041"
                           y3="3.14322"
                           yFract="0.60802043"
                           z3="10.92613"
                           zFract="0.42884662"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.24032"
                           xFract="0.14184715"
                           y3="0.68696"
                           yFract="0.13288466"
                           z3="6.18481"
                           zFract="0.24890018"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72521"
                           xFract="0.14184595"
                           y3="3.27176"
                           yFract="0.63288505"
                           z3="6.36724"
                           zFract="0.24890011"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22127"
                           xFract="0.64184614"
                           y3="0.68696"
                           yFract="0.13288466"
                           z3="6.36724"
                           zFract="0.24890011"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70617"
                           xFract="0.64184662"
                           y3="3.27176"
                           yFract="0.63288505"
                           z3="6.54968"
                           zFract="0.24890043"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55128"
                           xFract="0.28422377"
                           y3="1.49139"
                           yFract="0.28849256"
                           z3="8.68165"
                           zFract="0.34659032"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03618"
                           xFract="0.28422425"
                           y3="4.07619"
                           yFract="0.78849295"
                           z3="8.86408"
                           zFract="0.34659023"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53224"
                           xFract="0.78422444"
                           y3="1.49139"
                           yFract="0.28849256"
                           z3="8.86408"
                           zFract="0.34659023"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01713"
                           xFract="0.78422324"
                           y3="4.07619"
                           yFract="0.78849295"
                           z3="9.04651"
                           zFract="0.34659016"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26634"
                           xFract="0.29012603"
                           y3="2.67486"
                           yFract="0.51742148"
                           z3="10.56221"
                           zFract="0.42001303"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78145"
                           xFract="0.29012723"
                           y3="0.09006"
                           yFract="0.01742109"
                           z3="10.37977"
                           zFract="0.42001269"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2473"
                           xFract="0.7901267"
                           y3="2.67486"
                           yFract="0.51742148"
                           z3="10.74464"
                           zFract="0.42001294"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7624"
                           xFract="0.79012622"
                           y3="0.09006"
                           yFract="0.01742109"
                           z3="10.56221"
                           zFract="0.42001303"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9466"
                           xFract="0.10494755"
                           y3="0.55862"
                           yFract="0.10805873"
                           z3="10.56092"
                           zFract="0.42883403"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4315"
                           xFract="0.10494899"
                           y3="3.14341"
                           yFract="0.60805719"
                           z3="10.74335"
                           zFract="0.42883395"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92756"
                           xFract="0.60494822"
                           y3="0.55862"
                           yFract="0.10805873"
                           z3="10.74335"
                           zFract="0.42883394"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41245"
                           xFract="0.60494798"
                           y3="3.14341"
                           yFract="0.60805719"
                           z3="10.92578"
                           zFract="0.42883388"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.24168"
                           xFract="0.14214175"
                           y3="0.68627"
                           yFract="0.13275119"
                           z3="6.18684"
                           zFract="0.24898082"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72657"
                           xFract="0.14214055"
                           y3="3.27107"
                           yFract="0.63275157"
                           z3="6.36928"
                           zFract="0.24898116"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22263"
                           xFract="0.64214074"
                           y3="0.68627"
                           yFract="0.13275119"
                           z3="6.36928"
                           zFract="0.24898116"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70753"
                           xFract="0.64214122"
                           y3="3.27107"
                           yFract="0.63275157"
                           z3="6.55171"
                           zFract="0.24898106"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55032"
                           xFract="0.28403769"
                           y3="1.49165"
                           yFract="0.28854286"
                           z3="8.6825"
                           zFract="0.34662712"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03522"
                           xFract="0.28403913"
                           y3="4.07644"
                           yFract="0.78854131"
                           z3="8.86493"
                           zFract="0.34662704"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53128"
                           xFract="0.78403836"
                           y3="1.49165"
                           yFract="0.28854286"
                           z3="8.86493"
                           zFract="0.34662703"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01617"
                           xFract="0.78403813"
                           y3="4.07644"
                           yFract="0.78854131"
                           z3="9.04736"
                           zFract="0.34662698"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26613"
                           xFract="0.29002624"
                           y3="2.67553"
                           yFract="0.51755108"
                           z3="10.5625"
                           zFract="0.42002445"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78123"
                           xFract="0.29002576"
                           y3="0.09073"
                           yFract="0.01755069"
                           z3="10.38007"
                           zFract="0.42002454"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24708"
                           xFract="0.79002524"
                           y3="2.67553"
                           yFract="0.51755108"
                           z3="10.74494"
                           zFract="0.42002479"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76219"
                           xFract="0.79002644"
                           y3="0.09073"
                           yFract="0.01755069"
                           z3="10.5625"
                           zFract="0.42002445"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94513"
                           xFract="0.10466437"
                           y3="0.5590"
                           yFract="0.10813224"
                           z3="10.56022"
                           zFract="0.42880853"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43003"
                           xFract="0.10466581"
                           y3="3.14379"
                           yFract="0.60813069"
                           z3="10.74265"
                           zFract="0.42880845"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92609"
                           xFract="0.60466504"
                           y3="0.5590"
                           yFract="0.10813224"
                           z3="10.74265"
                           zFract="0.42880843"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41099"
                           xFract="0.60466648"
                           y3="3.14379"
                           yFract="0.60813069"
                           z3="10.92508"
                           zFract="0.42880835"/>
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                     <bond atomRefs2="a1 a3" 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 a7" order="S"/>
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                     <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"/>
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                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
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                     <bond atomRefs2="a7 a8" order="S"/>
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                     <bond atomRefs2="a9 a13" order="S"/>
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                     <bond atomRefs2="a10 a14" order="S"/>
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                     <bond atomRefs2="a11 a13" order="S"/>
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                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.24086"
                           xFract="0.1419647"
                           y3="0.68668"
                           yFract="0.1328305"
                           z3="6.18563"
                           zFract="0.24893278"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72576"
                           xFract="0.14196518"
                           y3="3.27148"
                           yFract="0.63283088"
                           z3="6.36806"
                           zFract="0.24893268"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22182"
                           xFract="0.64196537"
                           y3="0.68668"
                           yFract="0.1328305"
                           z3="6.36806"
                           zFract="0.24893269"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70672"
                           xFract="0.64196585"
                           y3="3.27148"
                           yFract="0.63283088"
                           z3="6.55049"
                           zFract="0.24893259"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5509"
                           xFract="0.28415039"
                           y3="1.49149"
                           yFract="0.28851191"
                           z3="8.68199"
                           zFract="0.34660504"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03579"
                           xFract="0.2841492"
                           y3="4.07629"
                           yFract="0.78851229"
                           z3="8.86442"
                           zFract="0.34660497"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53185"
                           xFract="0.78414939"
                           y3="1.49149"
                           yFract="0.28851191"
                           z3="8.86442"
                           zFract="0.34660497"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01675"
                           xFract="0.78414987"
                           y3="4.07629"
                           yFract="0.78851229"
                           z3="9.04685"
                           zFract="0.34660488"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26626"
                           xFract="0.29008659"
                           y3="2.67513"
                           yFract="0.51747371"
                           z3="10.56232"
                           zFract="0.42001734"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78136"
                           xFract="0.29008611"
                           y3="0.09033"
                           yFract="0.01747332"
                           z3="10.37989"
                           zFract="0.42001743"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24721"
                           xFract="0.79008558"
                           y3="2.67513"
                           yFract="0.51747371"
                           z3="10.74476"
                           zFract="0.42001768"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76232"
                           xFract="0.79008678"
                           y3="0.09033"
                           yFract="0.01747332"
                           z3="10.56232"
                           zFract="0.42001734"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94601"
                           xFract="0.10483413"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.56064"
                           zFract="0.42882384"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43091"
                           xFract="0.10483461"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.74307"
                           zFract="0.42882374"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92697"
                           xFract="0.6048348"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.74307"
                           zFract="0.42882374"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41186"
                           xFract="0.6048336"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.9255"
                           zFract="0.42882368"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.24092"
                           xFract="0.14197766"
                           y3="0.68665"
                           yFract="0.13282469"
                           z3="6.18571"
                           zFract="0.24893594"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72582"
                           xFract="0.14197813"
                           y3="3.27145"
                           yFract="0.63282508"
                           z3="6.36814"
                           zFract="0.24893585"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22188"
                           xFract="0.64197833"
                           y3="0.68665"
                           yFract="0.13282469"
                           z3="6.36814"
                           zFract="0.24893585"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70678"
                           xFract="0.64197881"
                           y3="3.27145"
                           yFract="0.63282508"
                           z3="6.55058"
                           zFract="0.24893617"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55085"
                           xFract="0.28414104"
                           y3="1.4915"
                           yFract="0.28851384"
                           z3="8.68202"
                           zFract="0.34660638"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03575"
                           xFract="0.28414152"
                           y3="4.0763"
                           yFract="0.78851423"
                           z3="8.86445"
                           zFract="0.34660628"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53181"
                           xFract="0.78414172"
                           y3="1.4915"
                           yFract="0.28851384"
                           z3="8.86445"
                           zFract="0.34660629"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0167"
                           xFract="0.78414052"
                           y3="4.0763"
                           yFract="0.78851423"
                           z3="9.04689"
                           zFract="0.34660663"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26621"
                           xFract="0.29007339"
                           y3="2.67518"
                           yFract="0.51748338"
                           z3="10.56235"
                           zFract="0.42001862"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78132"
                           xFract="0.29007459"
                           y3="0.09038"
                           yFract="0.01748299"
                           z3="10.37992"
                           zFract="0.42001869"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24717"
                           xFract="0.79007406"
                           y3="2.67518"
                           yFract="0.51748338"
                           z3="10.74478"
                           zFract="0.42001853"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76227"
                           xFract="0.79007358"
                           y3="0.09038"
                           yFract="0.01748299"
                           z3="10.56235"
                           zFract="0.42001862"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94598"
                           xFract="0.1048291"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.5606"
                           zFract="0.42882228"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43087"
                           xFract="0.1048279"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.74303"
                           zFract="0.42882221"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92693"
                           xFract="0.60482809"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.74303"
                           zFract="0.42882221"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41183"
                           xFract="0.60482857"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.92547"
                           zFract="0.42882252"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.24111"
                           xFract="0.1420182"
                           y3="0.68656"
                           yFract="0.13280728"
                           z3="6.18597"
                           zFract="0.24894623"/>
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                           id="a10"
                           x3="2.72601"
                           xFract="0.14201868"
                           y3="3.27136"
                           yFract="0.63280767"
                           z3="6.3684"
                           zFract="0.24894614"/>
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                           id="a11"
                           x3="4.22207"
                           xFract="0.64201887"
                           y3="0.68656"
                           yFract="0.13280728"
                           z3="6.3684"
                           zFract="0.24894614"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70696"
                           xFract="0.64201767"
                           y3="3.27136"
                           yFract="0.63280767"
                           z3="6.55083"
                           zFract="0.24894607"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55072"
                           xFract="0.28411635"
                           y3="1.49153"
                           yFract="0.28851964"
                           z3="8.68212"
                           zFract="0.34661075"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03562"
                           xFract="0.28411683"
                           y3="4.07633"
                           yFract="0.78852003"
                           z3="8.86456"
                           zFract="0.34661106"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53168"
                           xFract="0.78411702"
                           y3="1.49153"
                           yFract="0.28851964"
                           z3="8.86456"
                           zFract="0.34661107"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01657"
                           xFract="0.78411582"
                           y3="4.07633"
                           yFract="0.78852003"
                           z3="9.04699"
                           zFract="0.346611"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26609"
                           xFract="0.29003881"
                           y3="2.67533"
                           yFract="0.51751239"
                           z3="10.56243"
                           zFract="0.42002197"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7812"
                           xFract="0.29004"
                           y3="0.09053"
                           yFract="0.01751201"
                           z3="10.37999"
                           zFract="0.42002163"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24705"
                           xFract="0.79003948"
                           y3="2.67533"
                           yFract="0.51751239"
                           z3="10.74486"
                           zFract="0.42002188"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76215"
                           xFract="0.790039"
                           y3="0.09053"
                           yFract="0.01751201"
                           z3="10.56243"
                           zFract="0.42002198"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94586"
                           xFract="0.10480897"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.5605"
                           zFract="0.42881849"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43076"
                           xFract="0.10480945"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.74293"
                           zFract="0.42881839"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92682"
                           xFract="0.60480964"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.74293"
                           zFract="0.42881839"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41172"
                           xFract="0.60481012"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.92536"
                           zFract="0.4288183"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.24148"
                           xFract="0.1420976"
                           y3="0.68638"
                           yFract="0.13277246"
                           z3="6.18648"
                           zFract="0.24896643"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72638"
                           xFract="0.14209808"
                           y3="3.27118"
                           yFract="0.63277285"
                           z3="6.36891"
                           zFract="0.24896634"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22244"
                           xFract="0.64209827"
                           y3="0.68638"
                           yFract="0.13277246"
                           z3="6.36891"
                           zFract="0.24896634"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70733"
                           xFract="0.64209707"
                           y3="3.27118"
                           yFract="0.63277285"
                           z3="6.55134"
                           zFract="0.24896627"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55046"
                           xFract="0.28406696"
                           y3="1.49159"
                           yFract="0.28853125"
                           z3="8.68233"
                           zFract="0.3466199"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03536"
                           xFract="0.28406744"
                           y3="4.07639"
                           yFract="0.78853164"
                           z3="8.86476"
                           zFract="0.34661981"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53142"
                           xFract="0.78406763"
                           y3="1.49159"
                           yFract="0.28853125"
                           z3="8.86476"
                           zFract="0.34661981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01631"
                           xFract="0.78406643"
                           y3="4.07639"
                           yFract="0.78853164"
                           z3="9.04719"
                           zFract="0.34661974"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26585"
                           xFract="0.28996964"
                           y3="2.67563"
                           yFract="0.51757043"
                           z3="10.56258"
                           zFract="0.42002827"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78095"
                           xFract="0.2899682"
                           y3="0.09084"
                           yFract="0.01757197"
                           z3="10.38015"
                           zFract="0.42002836"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24681"
                           xFract="0.78997031"
                           y3="2.67563"
                           yFract="0.51757043"
                           z3="10.74501"
                           zFract="0.42002818"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76191"
                           xFract="0.78996887"
                           y3="0.09084"
                           yFract="0.01757197"
                           z3="10.56258"
                           zFract="0.42002826"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.94564"
                           xFract="0.10477207"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.56028"
                           zFract="0.42881004"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43054"
                           xFract="0.10477255"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.74271"
                           zFract="0.42880994"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9266"
                           xFract="0.60477274"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.74271"
                           zFract="0.42880994"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41149"
                           xFract="0.60477154"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.92515"
                           zFract="0.42881028"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
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                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.24222"
                           xFract="0.14225738"
                           y3="0.68601"
                           yFract="0.13270089"
                           z3="6.1875"
                           zFract="0.24900684"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72712"
                           xFract="0.14225785"
                           y3="3.27081"
                           yFract="0.63270128"
                           z3="6.36994"
                           zFract="0.24900715"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22318"
                           xFract="0.64225805"
                           y3="0.68601"
                           yFract="0.13270089"
                           z3="6.36994"
                           zFract="0.24900716"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70807"
                           xFract="0.64225685"
                           y3="3.27081"
                           yFract="0.63270128"
                           z3="6.55237"
                           zFract="0.24900709"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54994"
                           xFract="0.28396914"
                           y3="1.4917"
                           yFract="0.28855253"
                           z3="8.68274"
                           zFract="0.34663782"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03483"
                           xFract="0.28396794"
                           y3="4.0765"
                           yFract="0.78855292"
                           z3="8.86517"
                           zFract="0.34663775"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53089"
                           xFract="0.78396813"
                           y3="1.4917"
                           yFract="0.28855253"
                           z3="8.86517"
                           zFract="0.34663775"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01579"
                           xFract="0.78396861"
                           y3="4.0765"
                           yFract="0.78855292"
                           z3="9.04761"
                           zFract="0.34663807"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.26536"
                           xFract="0.28982868"
                           y3="2.67624"
                           yFract="0.51768842"
                           z3="10.56289"
                           zFract="0.4200413"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.78047"
                           xFract="0.28982988"
                           y3="0.09144"
                           yFract="0.01768804"
                           z3="10.38045"
                           zFract="0.42004096"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.24632"
                           xFract="0.78982935"
                           y3="2.67624"
                           yFract="0.51768842"
                           z3="10.74532"
                           zFract="0.42004121"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.76142"
                           xFract="0.78982887"
                           y3="0.09144"
                           yFract="0.01768804"
                           z3="10.56289"
                           zFract="0.4200413"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9452"
                           xFract="0.10469827"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.55986"
                           zFract="0.42879396"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.43009"
                           xFract="0.10469707"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.74229"
                           zFract="0.42879389"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.92615"
                           xFract="0.60469726"
                           y3="0.55877"
                           yFract="0.10808775"
                           z3="10.74229"
                           zFract="0.42879389"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.41105"
                           xFract="0.60469774"
                           y3="3.14357"
                           yFract="0.60808814"
                           z3="10.92472"
                           zFract="0.4287938"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</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 -0.001 -0.001 -0.001 -0.001 0.001 0.001 0.001 0.001 -0.001 -0.001 -0.001 -0.001</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 0.039 0.039 0.039 0.039 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 0.007 0.007 0.007 0.007 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 0.006 0.006 0.006 0.006 0.039 0.039 0.039 0.039 -0.000 -0.000 -0.000 -0.000</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.002</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">0.156</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.027</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">0.182</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-57.27124466</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-57.26609614</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-57.26952849</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-6.7671</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4070737E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</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="Ag"
                        id="a1"
                        x3="3.00146"
                        xFract="0.33604563"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.46751"
                        zFract="0.04999987"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="4.48636"
                        xFract="0.33604611"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.64995"
                        zFract="0.05000019"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.98242"
                        xFract="0.8360463"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.64995"
                        zFract="0.05000019"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46732"
                        xFract="0.83604678"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.83238"
                        zFract="0.05000009"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.34121"
                        xFract="0.48604463"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.02155"
                        zFract="0.14999981"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="5.82611"
                        xFract="0.48604607"
                        y3="5.09745"
                        yFract="0.98604417"
                        z3="4.20399"
                        zFract="0.15000014"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217"
                        xFract="0.9860453"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.20399"
                        zFract="0.15000013"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="8.80706"
                        xFract="0.98604507"
                        y3="5.09745"
                        yFract="0.98604417"
                        z3="4.38642"
                        zFract="0.15000008"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="1.24222"
                        xFract="0.14225738"
                        y3="0.68601"
                        yFract="0.13270089"
                        z3="6.1875"
                        zFract="0.24900684"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.72712"
                        xFract="0.14225785"
                        y3="3.27081"
                        yFract="0.63270128"
                        z3="6.36994"
                        zFract="0.24900715"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.22318"
                        xFract="0.64225805"
                        y3="0.68601"
                        yFract="0.13270089"
                        z3="6.36994"
                        zFract="0.24900716"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.70807"
                        xFract="0.64225685"
                        y3="3.27081"
                        yFract="0.63270128"
                        z3="6.55237"
                        zFract="0.24900709"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.54994"
                        xFract="0.28396914"
                        y3="1.4917"
                        yFract="0.28855253"
                        z3="8.68274"
                        zFract="0.34663782"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.03483"
                        xFract="0.28396794"
                        y3="4.0765"
                        yFract="0.78855292"
                        z3="8.86517"
                        zFract="0.34663775"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.53089"
                        xFract="0.78396813"
                        y3="1.4917"
                        yFract="0.28855253"
                        z3="8.86517"
                        zFract="0.34663775"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.01579"
                        xFract="0.78396861"
                        y3="4.0765"
                        yFract="0.78855292"
                        z3="9.04761"
                        zFract="0.34663807"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.26536"
                        xFract="0.28982868"
                        y3="2.67624"
                        yFract="0.51768842"
                        z3="10.56289"
                        zFract="0.4200413"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.78047"
                        xFract="0.28982988"
                        y3="0.09144"
                        yFract="0.01768804"
                        z3="10.38045"
                        zFract="0.42004096"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.24632"
                        xFract="0.78982935"
                        y3="2.67624"
                        yFract="0.51768842"
                        z3="10.74532"
                        zFract="0.42004121"/>
                  <atom elementType="O"
                        id="a20"
                        x3="4.76142"
                        xFract="0.78982887"
                        y3="0.09144"
                        yFract="0.01768804"
                        z3="10.56289"
                        zFract="0.4200413"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.9452"
                        xFract="0.10469827"
                        y3="0.55877"
                        yFract="0.10808775"
                        z3="10.55986"
                        zFract="0.42879396"/>
                  <atom elementType="H"
                        id="a22"
                        x3="2.43009"
                        xFract="0.10469707"
                        y3="3.14357"
                        yFract="0.60808814"
                        z3="10.74229"
                        zFract="0.42879389"/>
                  <atom elementType="H"
                        id="a23"
                        x3="3.92615"
                        xFract="0.60469726"
                        y3="0.55877"
                        yFract="0.10808775"
                        z3="10.74229"
                        zFract="0.42879389"/>
                  <atom elementType="H"
                        id="a24"
                        x3="5.41105"
                        xFract="0.60469774"
                        y3="3.14357"
                        yFract="0.60808814"
                        z3="10.92472"
                        zFract="0.4287938"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" 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 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 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a14" 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 a15" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a19 a24" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
               </bondArray>
               <formula concise="H4O4Ag16">
                  <atomArray count="4 4 16" elementType="H O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1789.8887999999993</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
