<?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">2025-04-07T14:21:21.000</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">203.5920</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">-27.3697 -26.8115 -26.8088 -26.7044 -15.4816 -15.4485 -14.7785 -14.7597 -14.7336 -14.6394 -14.6317 -14.6311 -14.5752 -14.5329 -14.5227 -14.5212 -14.5015 -14.5003 -14.4997 -14.3874 -14.2386 -14.2194 -14.2183 -14.0168 -13.9138 -13.9133 -13.6905 -13.5762 -13.5693 -13.4615 -13.4553 -13.4332 -13.4309 -13.3952 -13.3906 -13.3888 -13.3780 -13.3363 -13.2924 -13.2898 -13.2320 -13.2301 -13.1695 -13.1518 -13.1508 -13.0772 -12.9333 -12.8585 -12.8535 -12.8121 -12.8103 -12.7356 -12.7346 -12.6934 -12.5802 -12.5481 -12.5077 -12.4251 -12.3472 -12.3348 -12.3227 -12.3208 -12.2196 -12.2185 -12.2052 -12.1609 -12.1605 -12.1473 -12.0553 -12.0545 -11.9714 -11.9712 -11.9709 -11.9672 -11.9501 -11.9353 -11.9350 -11.8710 -11.8095 -11.8095 -11.7258 -11.7251 -11.7250 -11.7124 -11.6964 -11.6895 -11.6823 -11.3067 -11.3066 -11.3049 -11.2713 -10.4548 -10.4503 -10.2072 -10.0079 -9.8552 -9.8474 -9.0860 -8.6604 -8.3676 -8.3540 -8.3475 -8.1668 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                           x3="3.28225"
                           xFract="0.29289099"
                           y3="2.67386"
                           yFract="0.51722804"
                           z3="10.50938"
                           zFract="0.41781354"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79736"
                           xFract="0.29289219"
                           y3="0.08906"
                           yFract="0.01722765"
                           z3="10.32695"
                           zFract="0.41781361"/>
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                           id="a19"
                           x3="6.26321"
                           xFract="0.79289166"
                           y3="2.67386"
                           yFract="0.51722804"
                           z3="10.69182"
                           zFract="0.41781386"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77831"
                           xFract="0.79289118"
                           y3="0.08906"
                           yFract="0.01722765"
                           z3="10.50938"
                           zFract="0.41781354"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97757"
                           xFract="0.11284501"
                           y3="0.53057"
                           yFract="0.10263278"
                           z3="10.61483"
                           zFract="0.43100243"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46246"
                           xFract="0.11284381"
                           y3="3.11537"
                           yFract="0.60263317"
                           z3="10.79727"
                           zFract="0.43100277"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95852"
                           xFract="0.612844"
                           y3="0.53057"
                           yFract="0.10263278"
                           z3="10.79727"
                           zFract="0.43100277"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44342"
                           xFract="0.61284448"
                           y3="3.11537"
                           yFract="0.60263317"
                           z3="10.9797"
                           zFract="0.43100267"/>
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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 id="calculation.position.2">
                  <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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                           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"
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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"
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                           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="1.23876"
                           xFract="0.14176664"
                           y3="0.68508"
                           yFract="0.13252099"
                           z3="6.18302"
                           zFract="0.24883359"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72365"
                           xFract="0.14176544"
                           y3="3.26988"
                           yFract="0.63252138"
                           z3="6.36545"
                           zFract="0.24883352"/>
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                           id="a11"
                           x3="4.21971"
                           xFract="0.64176563"
                           y3="0.68508"
                           yFract="0.13252099"
                           z3="6.36545"
                           zFract="0.24883352"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70461"
                           xFract="0.64176611"
                           y3="3.26988"
                           yFract="0.63252138"
                           z3="6.54788"
                           zFract="0.24883343"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51868"
                           xFract="0.27690856"
                           y3="1.51056"
                           yFract="0.29220078"
                           z3="8.67868"
                           zFract="0.34652267"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00358"
                           xFract="0.27691"
                           y3="4.09535"
                           yFract="0.79219924"
                           z3="8.86111"
                           zFract="0.34652259"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49964"
                           xFract="0.77690923"
                           y3="1.51056"
                           yFract="0.29220078"
                           z3="8.86111"
                           zFract="0.34652258"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98453"
                           xFract="0.77690899"
                           y3="4.09535"
                           yFract="0.79219924"
                           z3="9.04355"
                           zFract="0.34652293"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28244"
                           xFract="0.29291419"
                           y3="2.67395"
                           yFract="0.51724545"
                           z3="10.50766"
                           zFract="0.41774258"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79755"
                           xFract="0.29291539"
                           y3="0.08915"
                           yFract="0.01724506"
                           z3="10.32522"
                           zFract="0.41774224"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2634"
                           xFract="0.79291486"
                           y3="2.67395"
                           yFract="0.51724545"
                           z3="10.69009"
                           zFract="0.41774248"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7785"
                           xFract="0.79291438"
                           y3="0.08915"
                           yFract="0.01724506"
                           z3="10.50766"
                           zFract="0.41774258"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97739"
                           xFract="0.11281096"
                           y3="0.53061"
                           yFract="0.10264052"
                           z3="10.61581"
                           zFract="0.43104291"/>
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                           id="a22"
                           x3="2.46228"
                           xFract="0.11281072"
                           y3="3.1154"
                           yFract="0.60263897"
                           z3="10.79824"
                           zFract="0.43104285"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95834"
                           xFract="0.61280995"
                           y3="0.53061"
                           yFract="0.10264052"
                           z3="10.79824"
                           zFract="0.43104284"/>
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                           id="a24"
                           x3="5.44324"
                           xFract="0.6128114"
                           y3="3.1154"
                           yFract="0.60263897"
                           z3="10.98067"
                           zFract="0.43104276"/>
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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"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               <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"
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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"/>
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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="1.23872"
                           xFract="0.14175704"
                           y3="0.68511"
                           yFract="0.1325268"
                           z3="6.18307"
                           zFract="0.24883569"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72362"
                           xFract="0.14175751"
                           y3="3.26991"
                           yFract="0.63252718"
                           z3="6.3655"
                           zFract="0.24883559"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21968"
                           xFract="0.64175771"
                           y3="0.68511"
                           yFract="0.1325268"
                           z3="6.3655"
                           zFract="0.2488356"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70457"
                           xFract="0.64175651"
                           y3="3.26991"
                           yFract="0.63252718"
                           z3="6.54793"
                           zFract="0.24883553"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51862"
                           xFract="0.27691006"
                           y3="1.51044"
                           yFract="0.29217757"
                           z3="8.68069"
                           zFract="0.34660521"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00352"
                           xFract="0.27691053"
                           y3="4.09524"
                           yFract="0.79217796"
                           z3="8.86312"
                           zFract="0.34660512"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49958"
                           xFract="0.77691073"
                           y3="1.51044"
                           yFract="0.29217757"
                           z3="8.86312"
                           zFract="0.34660512"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98447"
                           xFract="0.77690953"
                           y3="4.09524"
                           yFract="0.79217796"
                           z3="9.04556"
                           zFract="0.34660546"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28295"
                           xFract="0.29297757"
                           y3="2.67418"
                           yFract="0.51728994"
                           z3="10.50305"
                           zFract="0.41755239"/>
                     <atom elementType="O"
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                           x3="1.79806"
                           xFract="0.2929778"
                           y3="0.08939"
                           yFract="0.01729149"
                           z3="10.32062"
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                           x3="6.26391"
                           xFract="0.79297824"
                           y3="2.67418"
                           yFract="0.51728994"
                           z3="10.68548"
                           zFract="0.41755229"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77901"
                           xFract="0.7929768"
                           y3="0.08939"
                           yFract="0.01729149"
                           z3="10.50305"
                           zFract="0.41755237"/>
                     <atom elementType="H"
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                           x3="0.97691"
                           xFract="0.11272178"
                           y3="0.5307"
                           yFract="0.10265793"
                           z3="10.61841"
                           zFract="0.43115034"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46181"
                           xFract="0.11272226"
                           y3="3.1155"
                           yFract="0.60265831"
                           z3="10.80085"
                           zFract="0.43115065"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95787"
                           xFract="0.61272245"
                           y3="0.5307"
                           yFract="0.10265793"
                           z3="10.80085"
                           zFract="0.43115065"/>
                     <atom elementType="H"
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                           xFract="0.61272125"
                           y3="3.1155"
                           yFract="0.60265831"
                           z3="10.98328"
                           zFract="0.43115059"/>
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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.4">
                  <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="1.23872"
                           xFract="0.14175607"
                           y3="0.68512"
                           yFract="0.13252873"
                           z3="6.18312"
                           zFract="0.24883772"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72362"
                           xFract="0.14175655"
                           y3="3.26992"
                           yFract="0.63252912"
                           z3="6.36555"
                           zFract="0.24883762"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21968"
                           xFract="0.64175674"
                           y3="0.68512"
                           yFract="0.13252873"
                           z3="6.36555"
                           zFract="0.24883763"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70457"
                           xFract="0.64175554"
                           y3="3.26992"
                           yFract="0.63252912"
                           z3="6.54799"
                           zFract="0.24883797"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51858"
                           xFract="0.27690527"
                           y3="1.51042"
                           yFract="0.2921737"
                           z3="8.6813"
                           zFract="0.3466303"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00347"
                           xFract="0.27690408"
                           y3="4.09522"
                           yFract="0.79217409"
                           z3="8.86373"
                           zFract="0.34663023"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49953"
                           xFract="0.77690427"
                           y3="1.51042"
                           yFract="0.2921737"
                           z3="8.86373"
                           zFract="0.34663023"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98443"
                           xFract="0.77690475"
                           y3="4.09522"
                           yFract="0.79217409"
                           z3="9.04616"
                           zFract="0.34663014"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28224"
                           xFract="0.29280259"
                           y3="2.67476"
                           yFract="0.51740213"
                           z3="10.50169"
                           zFract="0.41749769"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79734"
                           xFract="0.29280211"
                           y3="0.08996"
                           yFract="0.01740175"
                           z3="10.31926"
                           zFract="0.41749778"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26319"
                           xFract="0.79280158"
                           y3="2.67476"
                           yFract="0.51740213"
                           z3="10.68413"
                           zFract="0.41749803"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7783"
                           xFract="0.79280278"
                           y3="0.08996"
                           yFract="0.01740175"
                           z3="10.50169"
                           zFract="0.41749769"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97762"
                           xFract="0.11288326"
                           y3="0.53026"
                           yFract="0.10257281"
                           z3="10.61916"
                           zFract="0.43117988"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46251"
                           xFract="0.11288206"
                           y3="3.11506"
                           yFract="0.6025732"
                           z3="10.80159"
                           zFract="0.43117981"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95857"
                           xFract="0.61288226"
                           y3="0.53026"
                           yFract="0.10257281"
                           z3="10.80159"
                           zFract="0.43117981"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44347"
                           xFract="0.61288274"
                           y3="3.11506"
                           yFract="0.6025732"
                           z3="10.98402"
                           zFract="0.43117972"/>
                  </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.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="1.23872"
                           xFract="0.14175511"
                           y3="0.68513"
                           yFract="0.13253067"
                           z3="6.18328"
                           zFract="0.24884425"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72361"
                           xFract="0.14175391"
                           y3="3.26993"
                           yFract="0.63253105"
                           z3="6.36571"
                           zFract="0.24884418"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21967"
                           xFract="0.6417541"
                           y3="0.68513"
                           yFract="0.13253067"
                           z3="6.36571"
                           zFract="0.24884418"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70457"
                           xFract="0.64175458"
                           y3="3.26993"
                           yFract="0.63253105"
                           z3="6.54814"
                           zFract="0.24884409"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51844"
                           xFract="0.27688757"
                           y3="1.51036"
                           yFract="0.2921621"
                           z3="8.68311"
                           zFract="0.34670478"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00334"
                           xFract="0.27688805"
                           y3="4.09516"
                           yFract="0.79216248"
                           z3="8.86554"
                           zFract="0.34670468"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.4994"
                           xFract="0.77688824"
                           y3="1.51036"
                           yFract="0.2921621"
                           z3="8.86554"
                           zFract="0.34670468"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98429"
                           xFract="0.77688705"
                           y3="4.09516"
                           yFract="0.79216248"
                           z3="9.04797"
                           zFract="0.34670461"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28009"
                           xFract="0.29227431"
                           y3="2.6765"
                           yFract="0.51773872"
                           z3="10.49764"
                           zFract="0.41733488"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79519"
                           xFract="0.29227383"
                           y3="0.0917"
                           yFract="0.01773833"
                           z3="10.3152"
                           zFract="0.41733456"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26104"
                           xFract="0.7922733"
                           y3="2.6765"
                           yFract="0.51773872"
                           z3="10.68007"
                           zFract="0.41733481"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77615"
                           xFract="0.7922745"
                           y3="0.0917"
                           yFract="0.01773833"
                           z3="10.49764"
                           zFract="0.41733488"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97973"
                           xFract="0.11336533"
                           y3="0.52893"
                           yFract="0.10231554"
                           z3="10.6214"
                           zFract="0.43126815"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46463"
                           xFract="0.11336581"
                           y3="3.11373"
                           yFract="0.60231593"
                           z3="10.80383"
                           zFract="0.43126806"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96069"
                           xFract="0.613366"
                           y3="0.52893"
                           yFract="0.10231554"
                           z3="10.80383"
                           zFract="0.43126806"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44559"
                           xFract="0.61336648"
                           y3="3.11373"
                           yFract="0.60231593"
                           z3="10.98626"
                           zFract="0.43126797"/>
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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.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"/>
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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="1.23871"
                           xFract="0.14175054"
                           y3="0.68516"
                           yFract="0.13253647"
                           z3="6.18359"
                           zFract="0.24885691"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7236"
                           xFract="0.14174934"
                           y3="3.26996"
                           yFract="0.63253686"
                           z3="6.36602"
                           zFract="0.24885684"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21966"
                           xFract="0.64174954"
                           y3="0.68516"
                           yFract="0.13253647"
                           z3="6.36602"
                           zFract="0.24885685"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70456"
                           xFract="0.64175001"
                           y3="3.26996"
                           yFract="0.63253686"
                           z3="6.54845"
                           zFract="0.24885675"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51817"
                           xFract="0.27685385"
                           y3="1.51024"
                           yFract="0.29213888"
                           z3="8.68673"
                           zFract="0.34685371"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00307"
                           xFract="0.27685433"
                           y3="4.09504"
                           yFract="0.79213927"
                           z3="8.86916"
                           zFract="0.34685361"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49913"
                           xFract="0.77685452"
                           y3="1.51024"
                           yFract="0.29213888"
                           z3="8.86916"
                           zFract="0.34685362"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98402"
                           xFract="0.77685332"
                           y3="4.09504"
                           yFract="0.79213927"
                           z3="9.05159"
                           zFract="0.34685355"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27579"
                           xFract="0.29121967"
                           y3="2.67996"
                           yFract="0.51840801"
                           z3="10.48952"
                           zFract="0.41700847"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7909"
                           xFract="0.2912199"
                           y3="0.09517"
                           yFract="0.01840956"
                           z3="10.30709"
                           zFract="0.41700852"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25675"
                           xFract="0.79122034"
                           y3="2.67996"
                           yFract="0.51840801"
                           z3="10.67195"
                           zFract="0.41700838"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77185"
                           xFract="0.7912189"
                           y3="0.09517"
                           yFract="0.01840956"
                           z3="10.48952"
                           zFract="0.41700846"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98397"
                           xFract="0.11433282"
                           y3="0.52627"
                           yFract="0.10180099"
                           z3="10.62587"
                           zFract="0.43144425"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46886"
                           xFract="0.11433162"
                           y3="3.11107"
                           yFract="0.60180138"
                           z3="10.8083"
                           zFract="0.43144418"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96492"
                           xFract="0.61433182"
                           y3="0.52627"
                           yFract="0.10180099"
                           z3="10.8083"
                           zFract="0.43144418"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44982"
                           xFract="0.61433229"
                           y3="3.11107"
                           yFract="0.60180138"
                           z3="10.99073"
                           zFract="0.43144409"/>
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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.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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                  <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"/>
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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="1.23871"
                           xFract="0.14175247"
                           y3="0.68514"
                           yFract="0.1325326"
                           z3="6.18338"
                           zFract="0.24884835"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72361"
                           xFract="0.14175295"
                           y3="3.26994"
                           yFract="0.63253299"
                           z3="6.36581"
                           zFract="0.24884826"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21967"
                           xFract="0.64175314"
                           y3="0.68514"
                           yFract="0.1325326"
                           z3="6.36581"
                           zFract="0.24884826"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70457"
                           xFract="0.64175362"
                           y3="3.26994"
                           yFract="0.63253299"
                           z3="6.54824"
                           zFract="0.24884816"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51835"
                           xFract="0.27687633"
                           y3="1.51032"
                           yFract="0.29215436"
                           z3="8.68428"
                           zFract="0.34675292"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00325"
                           xFract="0.27687681"
                           y3="4.09512"
                           yFract="0.79215474"
                           z3="8.86671"
                           zFract="0.34675282"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49931"
                           xFract="0.776877"
                           y3="1.51032"
                           yFract="0.29215436"
                           z3="8.86671"
                           zFract="0.34675283"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98421"
                           xFract="0.77687748"
                           y3="4.09512"
                           yFract="0.79215474"
                           z3="9.04915"
                           zFract="0.34675314"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27869"
                           xFract="0.29193156"
                           y3="2.67762"
                           yFract="0.51795537"
                           z3="10.4950"
                           zFract="0.41722877"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7938"
                           xFract="0.29193276"
                           y3="0.09282"
                           yFract="0.01795498"
                           z3="10.31256"
                           zFract="0.41722843"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25965"
                           xFract="0.79193223"
                           y3="2.67762"
                           yFract="0.51795537"
                           z3="10.67743"
                           zFract="0.41722867"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77475"
                           xFract="0.79193176"
                           y3="0.09282"
                           yFract="0.01795498"
                           z3="10.4950"
                           zFract="0.41722877"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98111"
                           xFract="0.11368063"
                           y3="0.52806"
                           yFract="0.10214725"
                           z3="10.62285"
                           zFract="0.43132527"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46601"
                           xFract="0.11368111"
                           y3="3.11286"
                           yFract="0.60214763"
                           z3="10.80528"
                           zFract="0.43132518"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96207"
                           xFract="0.6136813"
                           y3="0.52806"
                           yFract="0.10214725"
                           z3="10.80528"
                           zFract="0.43132518"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44696"
                           xFract="0.6136801"
                           y3="3.11286"
                           yFract="0.60214763"
                           z3="10.98771"
                           zFract="0.43132511"/>
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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"/>
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                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
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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"/>
                     <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"/>
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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"
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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="1.23872"
                           xFract="0.14175318"
                           y3="0.68515"
                           yFract="0.13253453"
                           z3="6.18362"
                           zFract="0.24885813"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72361"
                           xFract="0.14175198"
                           y3="3.26995"
                           yFract="0.63253492"
                           z3="6.36605"
                           zFract="0.24885806"/>
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                           id="a11"
                           x3="4.21967"
                           xFract="0.64175218"
                           y3="0.68515"
                           yFract="0.13253453"
                           z3="6.36605"
                           zFract="0.24885806"/>
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                           id="a12"
                           x3="5.70457"
                           xFract="0.64175265"
                           y3="3.26995"
                           yFract="0.63253492"
                           z3="6.54848"
                           zFract="0.24885797"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51819"
                           xFract="0.2768466"
                           y3="1.51035"
                           yFract="0.29216016"
                           z3="8.68493"
                           zFract="0.34677987"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00309"
                           xFract="0.27684708"
                           y3="4.09515"
                           yFract="0.79216055"
                           z3="8.86736"
                           zFract="0.34677977"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49915"
                           xFract="0.77684727"
                           y3="1.51035"
                           yFract="0.29216016"
                           z3="8.86736"
                           zFract="0.34677977"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98405"
                           xFract="0.77684775"
                           y3="4.09515"
                           yFract="0.79216055"
                           z3="9.04979"
                           zFract="0.34677968"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27839"
                           xFract="0.29182728"
                           y3="2.67818"
                           yFract="0.51806369"
                           z3="10.49216"
                           zFract="0.41711253"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79349"
                           xFract="0.29182681"
                           y3="0.09338"
                           yFract="0.01806331"
                           z3="10.30973"
                           zFract="0.41711263"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25934"
                           xFract="0.79182628"
                           y3="2.67818"
                           yFract="0.51806369"
                           z3="10.67459"
                           zFract="0.41711246"/>
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                           id="a20"
                           x3="4.77445"
                           xFract="0.79182748"
                           y3="0.09338"
                           yFract="0.01806331"
                           z3="10.49216"
                           zFract="0.41711253"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98146"
                           xFract="0.11376921"
                           y3="0.52775"
                           yFract="0.10208728"
                           z3="10.62487"
                           zFract="0.43140748"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46635"
                           xFract="0.11376897"
                           y3="3.11254"
                           yFract="0.60208573"
                           z3="10.80731"
                           zFract="0.43140783"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96241"
                           xFract="0.6137682"
                           y3="0.52775"
                           yFract="0.10208728"
                           z3="10.80731"
                           zFract="0.43140782"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44731"
                           xFract="0.61376964"
                           y3="3.11254"
                           yFract="0.60208573"
                           z3="10.98974"
                           zFract="0.43140774"/>
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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.9">
                  <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="1.23872"
                           xFract="0.14175222"
                           y3="0.68516"
                           yFract="0.13253647"
                           z3="6.18389"
                           zFract="0.24886916"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72362"
                           xFract="0.1417527"
                           y3="3.26996"
                           yFract="0.63253686"
                           z3="6.36632"
                           zFract="0.24886907"/>
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                           id="a11"
                           x3="4.21968"
                           xFract="0.64175289"
                           y3="0.68516"
                           yFract="0.13253647"
                           z3="6.36632"
                           zFract="0.24886907"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70457"
                           xFract="0.64175169"
                           y3="3.26996"
                           yFract="0.63253686"
                           z3="6.54875"
                           zFract="0.248869"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51801"
                           xFract="0.27681256"
                           y3="1.51039"
                           yFract="0.2921679"
                           z3="8.68565"
                           zFract="0.34680971"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00291"
                           xFract="0.27681304"
                           y3="4.09519"
                           yFract="0.79216829"
                           z3="8.86809"
                           zFract="0.34681003"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49897"
                           xFract="0.77681323"
                           y3="1.51039"
                           yFract="0.2921679"
                           z3="8.86809"
                           zFract="0.34681003"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98386"
                           xFract="0.77681203"
                           y3="4.09519"
                           yFract="0.79216829"
                           z3="9.05052"
                           zFract="0.34680996"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27804"
                           xFract="0.29170884"
                           y3="2.6788"
                           yFract="0.51818363"
                           z3="10.48896"
                           zFract="0.41698161"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79315"
                           xFract="0.29170907"
                           y3="0.09401"
                           yFract="0.01818517"
                           z3="10.30652"
                           zFract="0.41698125"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2590"
                           xFract="0.79170951"
                           y3="2.6788"
                           yFract="0.51818363"
                           z3="10.67139"
                           zFract="0.41698152"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7741"
                           xFract="0.79170807"
                           y3="0.09401"
                           yFract="0.01818517"
                           z3="10.48896"
                           zFract="0.4169816"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98185"
                           xFract="0.11387028"
                           y3="0.52738"
                           yFract="0.10201571"
                           z3="10.62716"
                           zFract="0.43150072"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46675"
                           xFract="0.11387075"
                           y3="3.11218"
                           yFract="0.6020161"
                           z3="10.80959"
                           zFract="0.43150062"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96281"
                           xFract="0.61387095"
                           y3="0.52738"
                           yFract="0.10201571"
                           z3="10.80959"
                           zFract="0.43150062"/>
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                           id="a24"
                           x3="5.4477"
                           xFract="0.61386975"
                           y3="3.11218"
                           yFract="0.6020161"
                           z3="10.99203"
                           zFract="0.43150096"/>
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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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                     <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">
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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"
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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"
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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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                           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="1.23876"
                           xFract="0.14175796"
                           y3="0.68517"
                           yFract="0.1325384"
                           z3="6.18403"
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                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72365"
                           xFract="0.14175677"
                           y3="3.26997"
                           yFract="0.63253879"
                           z3="6.36646"
                           zFract="0.2488747"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21971"
                           xFract="0.64175696"
                           y3="0.68517"
                           yFract="0.1325384"
                           z3="6.36646"
                           zFract="0.24887471"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70461"
                           xFract="0.64175744"
                           y3="3.26997"
                           yFract="0.63253879"
                           z3="6.54889"
                           zFract="0.24887461"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51798"
                           xFract="0.27679115"
                           y3="1.51056"
                           yFract="0.29220078"
                           z3="8.68481"
                           zFract="0.34677518"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00287"
                           xFract="0.27678995"
                           y3="4.09536"
                           yFract="0.79220117"
                           z3="8.86724"
                           zFract="0.34677511"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49893"
                           xFract="0.77679014"
                           y3="1.51056"
                           yFract="0.29220078"
                           z3="8.86724"
                           zFract="0.34677511"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98383"
                           xFract="0.77679062"
                           y3="4.09536"
                           yFract="0.79220117"
                           z3="9.04968"
                           zFract="0.34677543"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27826"
                           xFract="0.29177946"
                           y3="2.67845"
                           yFract="0.51811592"
                           z3="10.48927"
                           zFract="0.41699424"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79336"
                           xFract="0.29177898"
                           y3="0.09365"
                           yFract="0.01811554"
                           z3="10.30684"
                           zFract="0.41699434"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25922"
                           xFract="0.79178013"
                           y3="2.67845"
                           yFract="0.51811592"
                           z3="10.67171"
                           zFract="0.41699456"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77432"
                           xFract="0.79177966"
                           y3="0.09365"
                           yFract="0.01811554"
                           z3="10.48927"
                           zFract="0.41699425"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98153"
                           xFract="0.11379637"
                           y3="0.52759"
                           yFract="0.10205633"
                           z3="10.62757"
                           zFract="0.43151798"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46642"
                           xFract="0.11379517"
                           y3="3.11239"
                           yFract="0.60205672"
                           z3="10.8100"
                           zFract="0.43151791"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96248"
                           xFract="0.61379536"
                           y3="0.52759"
                           yFract="0.10205633"
                           z3="10.8100"
                           zFract="0.43151792"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44738"
                           xFract="0.61379584"
                           y3="3.11239"
                           yFract="0.60205672"
                           z3="10.99244"
                           zFract="0.43151823"/>
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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.11">
                  <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="1.23884"
                           xFract="0.14176946"
                           y3="0.68519"
                           yFract="0.13254227"
                           z3="6.18436"
                           zFract="0.24888804"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72374"
                           xFract="0.14176993"
                           y3="3.26999"
                           yFract="0.63254266"
                           z3="6.36679"
                           zFract="0.24888795"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.2198"
                           xFract="0.64177013"
                           y3="0.68519"
                           yFract="0.13254227"
                           z3="6.36679"
                           zFract="0.24888795"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70469"
                           xFract="0.64176893"
                           y3="3.26999"
                           yFract="0.63254266"
                           z3="6.54922"
                           zFract="0.24888788"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51789"
                           xFract="0.27673654"
                           y3="1.51097"
                           yFract="0.29228009"
                           z3="8.68285"
                           zFract="0.34669463"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00279"
                           xFract="0.27673702"
                           y3="4.09577"
                           yFract="0.79228048"
                           z3="8.86528"
                           zFract="0.34669454"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49885"
                           xFract="0.77673721"
                           y3="1.51097"
                           yFract="0.29228009"
                           z3="8.86528"
                           zFract="0.34669454"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98375"
                           xFract="0.77673769"
                           y3="4.09577"
                           yFract="0.79228048"
                           z3="9.04771"
                           zFract="0.34669445"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27877"
                           xFract="0.29194498"
                           y3="2.67762"
                           yFract="0.51795537"
                           z3="10.49002"
                           zFract="0.41702485"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79387"
                           xFract="0.2919445"
                           y3="0.09282"
                           yFract="0.01795498"
                           z3="10.30758"
                           zFract="0.41702454"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25973"
                           xFract="0.79194565"
                           y3="2.67762"
                           yFract="0.51795537"
                           z3="10.67245"
                           zFract="0.41702476"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77483"
                           xFract="0.79194517"
                           y3="0.09282"
                           yFract="0.01795498"
                           z3="10.49002"
                           zFract="0.41702485"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98078"
                           xFract="0.11362432"
                           y3="0.52807"
                           yFract="0.10214918"
                           z3="10.62853"
                           zFract="0.43155844"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46567"
                           xFract="0.11362312"
                           y3="3.11287"
                           yFract="0.60214957"
                           z3="10.81096"
                           zFract="0.43155837"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96173"
                           xFract="0.61362331"
                           y3="0.52807"
                           yFract="0.10214918"
                           z3="10.81096"
                           zFract="0.43155837"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44663"
                           xFract="0.61362379"
                           y3="3.11287"
                           yFract="0.60214957"
                           z3="10.99339"
                           zFract="0.43155828"/>
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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.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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                           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="1.23888"
                           xFract="0.14177424"
                           y3="0.68521"
                           yFract="0.13254614"
                           z3="6.18448"
                           zFract="0.24889282"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72378"
                           xFract="0.14177472"
                           y3="3.27001"
                           yFract="0.63254653"
                           z3="6.36691"
                           zFract="0.24889273"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21984"
                           xFract="0.64177491"
                           y3="0.68521"
                           yFract="0.13254614"
                           z3="6.36691"
                           zFract="0.24889273"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70473"
                           xFract="0.64177371"
                           y3="3.27001"
                           yFract="0.63254653"
                           z3="6.54935"
                           zFract="0.24889307"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51783"
                           xFract="0.27670914"
                           y3="1.51115"
                           yFract="0.29231491"
                           z3="8.68205"
                           zFract="0.3466618"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00272"
                           xFract="0.27670794"
                           y3="4.09595"
                           yFract="0.7923153"
                           z3="8.86448"
                           zFract="0.34666173"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49878"
                           xFract="0.77670813"
                           y3="1.51115"
                           yFract="0.29231491"
                           z3="8.86448"
                           zFract="0.34666173"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98368"
                           xFract="0.77670861"
                           y3="4.09595"
                           yFract="0.7923153"
                           z3="9.04691"
                           zFract="0.34666163"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27853"
                           xFract="0.29191243"
                           y3="2.67754"
                           yFract="0.51793989"
                           z3="10.4904"
                           zFract="0.41704111"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79363"
                           xFract="0.29191099"
                           y3="0.09275"
                           yFract="0.01794144"
                           z3="10.30797"
                           zFract="0.41704119"/>
                     <atom elementType="O"
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                           x3="6.25948"
                           xFract="0.79191143"
                           y3="2.67754"
                           yFract="0.51793989"
                           z3="10.67283"
                           zFract="0.41704105"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77459"
                           xFract="0.79191166"
                           y3="0.09275"
                           yFract="0.01794144"
                           z3="10.4904"
                           zFract="0.4170411"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98093"
                           xFract="0.11365429"
                           y3="0.52802"
                           yFract="0.10213951"
                           z3="10.62887"
                           zFract="0.43157204"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46582"
                           xFract="0.1136531"
                           y3="3.11282"
                           yFract="0.6021399"
                           z3="10.8113"
                           zFract="0.43157197"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96188"
                           xFract="0.61365329"
                           y3="0.52802"
                           yFract="0.10213951"
                           z3="10.8113"
                           zFract="0.43157198"/>
                     <atom elementType="H"
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                           x3="5.44678"
                           xFract="0.61365377"
                           y3="3.11282"
                           yFract="0.6021399"
                           z3="10.99373"
                           zFract="0.43157188"/>
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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.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>
                  </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="1.2390"
                           xFract="0.14179051"
                           y3="0.68525"
                           yFract="0.13255388"
                           z3="6.18484"
                           zFract="0.24890719"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7239"
                           xFract="0.14179099"
                           y3="3.27005"
                           yFract="0.63255427"
                           z3="6.36728"
                           zFract="0.2489075"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21996"
                           xFract="0.64179118"
                           y3="0.68525"
                           yFract="0.13255388"
                           z3="6.36728"
                           zFract="0.24890751"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70485"
                           xFract="0.64178998"
                           y3="3.27005"
                           yFract="0.63255427"
                           z3="6.54971"
                           zFract="0.24890744"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51763"
                           xFract="0.27662259"
                           y3="1.5117"
                           yFract="0.2924213"
                           z3="8.67966"
                           zFract="0.34656373"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00252"
                           xFract="0.27662139"
                           y3="4.0965"
                           yFract="0.79242169"
                           z3="8.86209"
                           zFract="0.34656366"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49858"
                           xFract="0.77662159"
                           y3="1.5117"
                           yFract="0.2924213"
                           z3="8.86209"
                           zFract="0.34656367"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98348"
                           xFract="0.77662206"
                           y3="4.0965"
                           yFract="0.79242169"
                           z3="9.04452"
                           zFract="0.34656357"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2778"
                           xFract="0.29181215"
                           y3="2.67731"
                           yFract="0.5178954"
                           z3="10.49155"
                           zFract="0.41709032"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7929"
                           xFract="0.29181167"
                           y3="0.09251"
                           yFract="0.01789502"
                           z3="10.30912"
                           zFract="0.41709041"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25875"
                           xFract="0.79181115"
                           y3="2.67731"
                           yFract="0.5178954"
                           z3="10.67398"
                           zFract="0.41709025"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77386"
                           xFract="0.79181235"
                           y3="0.09251"
                           yFract="0.01789502"
                           z3="10.49155"
                           zFract="0.41709032"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98138"
                           xFract="0.11374519"
                           y3="0.52786"
                           yFract="0.10210856"
                           z3="10.62989"
                           zFract="0.43161287"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46628"
                           xFract="0.11374663"
                           y3="3.11265"
                           yFract="0.60210701"
                           z3="10.81232"
                           zFract="0.43161279"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96234"
                           xFract="0.61374586"
                           y3="0.52786"
                           yFract="0.10210856"
                           z3="10.81232"
                           zFract="0.43161278"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44723"
                           xFract="0.61374563"
                           y3="3.11265"
                           yFract="0.60210701"
                           z3="10.99475"
                           zFract="0.43161272"/>
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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"/>
                  </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="1.23899"
                           xFract="0.14178883"
                           y3="0.68525"
                           yFract="0.13255388"
                           z3="6.1848"
                           zFract="0.24890558"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72388"
                           xFract="0.14178764"
                           y3="3.27005"
                           yFract="0.63255427"
                           z3="6.36723"
                           zFract="0.24890551"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21994"
                           xFract="0.64178783"
                           y3="0.68525"
                           yFract="0.13255388"
                           z3="6.36723"
                           zFract="0.24890551"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70484"
                           xFract="0.64178831"
                           y3="3.27005"
                           yFract="0.63255427"
                           z3="6.54967"
                           zFract="0.24890583"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51765"
                           xFract="0.27663173"
                           y3="1.51164"
                           yFract="0.2924097"
                           z3="8.67994"
                           zFract="0.34657522"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00255"
                           xFract="0.27663221"
                           y3="4.09644"
                           yFract="0.79241008"
                           z3="8.86237"
                           zFract="0.34657513"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49861"
                           xFract="0.7766324"
                           y3="1.51164"
                           yFract="0.2924097"
                           z3="8.86237"
                           zFract="0.34657513"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.9835"
                           xFract="0.7766312"
                           y3="4.09644"
                           yFract="0.79241008"
                           z3="9.0448"
                           zFract="0.34657506"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27788"
                           xFract="0.29182268"
                           y3="2.67734"
                           yFract="0.51790121"
                           z3="10.49141"
                           zFract="0.41708434"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79299"
                           xFract="0.29182388"
                           y3="0.09254"
                           yFract="0.01790082"
                           z3="10.30898"
                           zFract="0.41708441"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25884"
                           xFract="0.79182335"
                           y3="2.67734"
                           yFract="0.51790121"
                           z3="10.67385"
                           zFract="0.41708466"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77394"
                           xFract="0.79182287"
                           y3="0.09254"
                           yFract="0.01790082"
                           z3="10.49141"
                           zFract="0.41708435"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98133"
                           xFract="0.11373584"
                           y3="0.52787"
                           yFract="0.10211049"
                           z3="10.62977"
                           zFract="0.43160807"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46623"
                           xFract="0.11373632"
                           y3="3.11267"
                           yFract="0.60211088"
                           z3="10.8122"
                           zFract="0.43160798"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96229"
                           xFract="0.61373651"
                           y3="0.52787"
                           yFract="0.10211049"
                           z3="10.8122"
                           zFract="0.43160798"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44718"
                           xFract="0.61373531"
                           y3="3.11267"
                           yFract="0.60211088"
                           z3="10.99463"
                           zFract="0.43160791"/>
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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"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
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                     <bond atomRefs2="a10 a14" order="S"/>
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                     <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="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="1.2390"
                           xFract="0.14179051"
                           y3="0.68525"
                           yFract="0.13255388"
                           z3="6.18477"
                           zFract="0.24890433"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7239"
                           xFract="0.14179099"
                           y3="3.27005"
                           yFract="0.63255427"
                           z3="6.36721"
                           zFract="0.24890464"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21996"
                           xFract="0.64179118"
                           y3="0.68525"
                           yFract="0.13255388"
                           z3="6.36721"
                           zFract="0.24890464"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70485"
                           xFract="0.64178998"
                           y3="3.27005"
                           yFract="0.63255427"
                           z3="6.54964"
                           zFract="0.24890457"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51751"
                           xFract="0.27660054"
                           y3="1.51172"
                           yFract="0.29242517"
                           z3="8.67987"
                           zFract="0.34657259"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00241"
                           xFract="0.27660102"
                           y3="4.09652"
                           yFract="0.79242556"
                           z3="8.8623"
                           zFract="0.3465725"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49847"
                           xFract="0.77660121"
                           y3="1.51172"
                           yFract="0.29242517"
                           z3="8.8623"
                           zFract="0.3465725"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98337"
                           xFract="0.77660169"
                           y3="4.09652"
                           yFract="0.79242556"
                           z3="9.04474"
                           zFract="0.34657282"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27783"
                           xFract="0.29180562"
                           y3="2.67743"
                           yFract="0.51791861"
                           z3="10.49121"
                           zFract="0.41707616"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79293"
                           xFract="0.29180514"
                           y3="0.09263"
                           yFract="0.01791823"
                           z3="10.30878"
                           zFract="0.41707625"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25878"
                           xFract="0.79180462"
                           y3="2.67743"
                           yFract="0.51791861"
                           z3="10.67365"
                           zFract="0.4170765"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77389"
                           xFract="0.79180581"
                           y3="0.09263"
                           yFract="0.01791823"
                           z3="10.49121"
                           zFract="0.41707616"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98146"
                           xFract="0.11376535"
                           y3="0.52779"
                           yFract="0.10209502"
                           z3="10.63005"
                           zFract="0.43161932"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46636"
                           xFract="0.11376583"
                           y3="3.11259"
                           yFract="0.60209541"
                           z3="10.81248"
                           zFract="0.43161922"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96242"
                           xFract="0.61376603"
                           y3="0.52779"
                           yFract="0.10209502"
                           z3="10.81248"
                           zFract="0.43161923"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44731"
                           xFract="0.61376483"
                           y3="3.11259"
                           yFract="0.60209541"
                           z3="10.99491"
                           zFract="0.43161916"/>
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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.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>
                  </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="1.23904"
                           xFract="0.14179626"
                           y3="0.68526"
                           yFract="0.13255581"
                           z3="6.18469"
                           zFract="0.24890094"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72394"
                           xFract="0.14179674"
                           y3="3.27006"
                           yFract="0.6325562"
                           z3="6.36712"
                           zFract="0.24890084"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.2200"
                           xFract="0.64179693"
                           y3="0.68526"
                           yFract="0.13255581"
                           z3="6.36712"
                           zFract="0.24890085"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70489"
                           xFract="0.64179573"
                           y3="3.27006"
                           yFract="0.6325562"
                           z3="6.54956"
                           zFract="0.24890119"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5171"
                           xFract="0.27650768"
                           y3="1.51197"
                           yFract="0.29247353"
                           z3="8.67968"
                           zFract="0.34656549"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0020"
                           xFract="0.27650816"
                           y3="4.09677"
                           yFract="0.79247392"
                           z3="8.86212"
                           zFract="0.3465658"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49806"
                           xFract="0.77650835"
                           y3="1.51197"
                           yFract="0.29247353"
                           z3="8.86212"
                           zFract="0.3465658"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98295"
                           xFract="0.77650715"
                           y3="4.09677"
                           yFract="0.79247392"
                           z3="9.04455"
                           zFract="0.34656573"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27766"
                           xFract="0.29175206"
                           y3="2.67769"
                           yFract="0.51796891"
                           z3="10.49062"
                           zFract="0.41705207"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79276"
                           xFract="0.29175158"
                           y3="0.09289"
                           yFract="0.01796852"
                           z3="10.30818"
                           zFract="0.41705176"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25862"
                           xFract="0.79175273"
                           y3="2.67769"
                           yFract="0.51796891"
                           z3="10.67305"
                           zFract="0.41705198"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77372"
                           xFract="0.79175225"
                           y3="0.09289"
                           yFract="0.01796852"
                           z3="10.49062"
                           zFract="0.41705207"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98185"
                           xFract="0.11385486"
                           y3="0.52754"
                           yFract="0.10204666"
                           z3="10.63088"
                           zFract="0.43165266"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46675"
                           xFract="0.11385534"
                           y3="3.11234"
                           yFract="0.60204705"
                           z3="10.81331"
                           zFract="0.43165256"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96281"
                           xFract="0.61385553"
                           y3="0.52754"
                           yFract="0.10204666"
                           z3="10.81331"
                           zFract="0.43165256"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4477"
                           xFract="0.61385433"
                           y3="3.11234"
                           yFract="0.60204705"
                           z3="10.99574"
                           zFract="0.4316525"/>
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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"/>
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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"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </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>
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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"/>
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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"/>
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                           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="1.23913"
                           xFract="0.14180846"
                           y3="0.68529"
                           yFract="0.13256162"
                           z3="6.18453"
                           zFract="0.24889413"/>
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                           id="a10"
                           x3="2.72402"
                           xFract="0.14180823"
                           y3="3.27008"
                           yFract="0.63256007"
                           z3="6.36696"
                           zFract="0.24889407"/>
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                           id="a11"
                           x3="4.22008"
                           xFract="0.64180746"
                           y3="0.68529"
                           yFract="0.13256162"
                           z3="6.36696"
                           zFract="0.24889406"/>
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                           id="a12"
                           x3="5.70498"
                           xFract="0.6418089"
                           y3="3.27008"
                           yFract="0.63256007"
                           z3="6.54939"
                           zFract="0.24889398"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51627"
                           xFract="0.27632028"
                           y3="1.51247"
                           yFract="0.29257025"
                           z3="8.67931"
                           zFract="0.3465517"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00117"
                           xFract="0.27632076"
                           y3="4.09727"
                           yFract="0.79257064"
                           z3="8.86174"
                           zFract="0.34655161"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49723"
                           xFract="0.77632095"
                           y3="1.51247"
                           yFract="0.29257025"
                           z3="8.86174"
                           zFract="0.34655161"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98213"
                           xFract="0.77632143"
                           y3="4.09727"
                           yFract="0.79257064"
                           z3="9.04417"
                           zFract="0.34655152"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27733"
                           xFract="0.29164563"
                           y3="2.67822"
                           yFract="0.51807143"
                           z3="10.48942"
                           zFract="0.41700304"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79243"
                           xFract="0.29164419"
                           y3="0.09343"
                           yFract="0.01807298"
                           z3="10.30698"
                           zFract="0.41700271"/>
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                           id="a19"
                           x3="6.25829"
                           xFract="0.79164631"
                           y3="2.67822"
                           yFract="0.51807143"
                           z3="10.67185"
                           zFract="0.41700295"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77339"
                           xFract="0.79164486"
                           y3="0.09343"
                           yFract="0.01807298"
                           z3="10.48942"
                           zFract="0.41700303"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98264"
                           xFract="0.11403555"
                           y3="0.52704"
                           yFract="0.10194994"
                           z3="10.63254"
                           zFract="0.43171931"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46753"
                           xFract="0.11403435"
                           y3="3.11184"
                           yFract="0.60195033"
                           z3="10.81498"
                           zFract="0.43171965"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96359"
                           xFract="0.61403454"
                           y3="0.52704"
                           yFract="0.10194994"
                           z3="10.81498"
                           zFract="0.43171965"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44849"
                           xFract="0.61403502"
                           y3="3.11184"
                           yFract="0.60195033"
                           z3="10.99741"
                           zFract="0.43171956"/>
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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.18">
                  <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="1.2393"
                           xFract="0.14183312"
                           y3="0.68533"
                           yFract="0.13256935"
                           z3="6.18419"
                           zFract="0.24887973"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72419"
                           xFract="0.14183192"
                           y3="3.27013"
                           yFract="0.63256974"
                           z3="6.36663"
                           zFract="0.24888007"/>
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                           id="a11"
                           x3="4.22025"
                           xFract="0.64183212"
                           y3="0.68533"
                           yFract="0.13256935"
                           z3="6.36663"
                           zFract="0.24888008"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70515"
                           xFract="0.64183259"
                           y3="3.27013"
                           yFract="0.63256974"
                           z3="6.54906"
                           zFract="0.24887998"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51462"
                           xFract="0.27594717"
                           y3="1.51347"
                           yFract="0.29276369"
                           z3="8.67855"
                           zFract="0.3465233"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99952"
                           xFract="0.27594765"
                           y3="4.09827"
                           yFract="0.79276408"
                           z3="8.86099"
                           zFract="0.34652361"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49558"
                           xFract="0.77594784"
                           y3="1.51347"
                           yFract="0.29276369"
                           z3="8.86099"
                           zFract="0.34652361"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98047"
                           xFract="0.77594664"
                           y3="4.09827"
                           yFract="0.79276408"
                           z3="9.04342"
                           zFract="0.34652354"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27667"
                           xFract="0.29143183"
                           y3="2.67929"
                           yFract="0.51827841"
                           z3="10.48702"
                           zFract="0.41690497"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79177"
                           xFract="0.29143135"
                           y3="0.09449"
                           yFract="0.01827802"
                           z3="10.30459"
                           zFract="0.41690506"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25762"
                           xFract="0.79143082"
                           y3="2.67929"
                           yFract="0.51827841"
                           z3="10.66945"
                           zFract="0.4169049"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77273"
                           xFract="0.79143202"
                           y3="0.09449"
                           yFract="0.01827802"
                           z3="10.48702"
                           zFract="0.41690497"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9842"
                           xFract="0.11439356"
                           y3="0.52604"
                           yFract="0.1017565"
                           z3="10.63588"
                           zFract="0.43185348"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4691"
                           xFract="0.11439404"
                           y3="3.11084"
                           yFract="0.60175689"
                           z3="10.81831"
                           zFract="0.43185339"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96516"
                           xFract="0.61439423"
                           y3="0.52604"
                           yFract="0.1017565"
                           z3="10.81831"
                           zFract="0.43185339"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.45005"
                           xFract="0.61439304"
                           y3="3.11084"
                           yFract="0.60175689"
                           z3="11.00074"
                           zFract="0.43185332"/>
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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="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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                           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"
                           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="1.23932"
                           xFract="0.14183455"
                           y3="0.68535"
                           yFract="0.13257322"
                           z3="6.18414"
                           zFract="0.24887761"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72422"
                           xFract="0.14183503"
                           y3="3.27015"
                           yFract="0.63257361"
                           z3="6.36657"
                           zFract="0.24887751"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22028"
                           xFract="0.64183522"
                           y3="0.68535"
                           yFract="0.13257322"
                           z3="6.36657"
                           zFract="0.24887752"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70518"
                           xFract="0.6418357"
                           y3="3.27015"
                           yFract="0.63257361"
                           z3="6.54901"
                           zFract="0.24887783"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51442"
                           xFract="0.27590013"
                           y3="1.51361"
                           yFract="0.29279077"
                           z3="8.67846"
                           zFract="0.34651991"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99931"
                           xFract="0.27589893"
                           y3="4.09841"
                           yFract="0.79279116"
                           z3="8.8609"
                           zFract="0.34652025"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49537"
                           xFract="0.77589913"
                           y3="1.51361"
                           yFract="0.29279077"
                           z3="8.8609"
                           zFract="0.34652026"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98027"
                           xFract="0.7758996"
                           y3="4.09841"
                           yFract="0.79279116"
                           z3="9.04333"
                           zFract="0.34652016"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27675"
                           xFract="0.29144621"
                           y3="2.67928"
                           yFract="0.51827648"
                           z3="10.48672"
                           zFract="0.41689251"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79185"
                           xFract="0.29144477"
                           y3="0.09449"
                           yFract="0.01827802"
                           z3="10.30429"
                           zFract="0.41689259"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2577"
                           xFract="0.79144521"
                           y3="2.67928"
                           yFract="0.51827648"
                           z3="10.66916"
                           zFract="0.41689285"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77281"
                           xFract="0.79144544"
                           y3="0.09449"
                           yFract="0.01827802"
                           z3="10.48672"
                           zFract="0.4168925"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98421"
                           xFract="0.1143962"
                           y3="0.52603"
                           yFract="0.10175457"
                           z3="10.63631"
                           zFract="0.43187106"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46911"
                           xFract="0.11439668"
                           y3="3.11083"
                           yFract="0.60175495"
                           z3="10.81874"
                           zFract="0.43187097"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96517"
                           xFract="0.61439688"
                           y3="0.52603"
                           yFract="0.10175457"
                           z3="10.81874"
                           zFract="0.43187097"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.45007"
                           xFract="0.61439735"
                           y3="3.11083"
                           yFract="0.60175495"
                           z3="11.00117"
                           zFract="0.43187087"/>
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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.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>
                  </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="1.2394"
                           xFract="0.14184315"
                           y3="0.6854"
                           yFract="0.13258289"
                           z3="6.18399"
                           zFract="0.2488712"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72429"
                           xFract="0.14184195"
                           y3="3.2702"
                           yFract="0.63258328"
                           z3="6.36642"
                           zFract="0.24887113"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22035"
                           xFract="0.64184214"
                           y3="0.6854"
                           yFract="0.13258289"
                           z3="6.36642"
                           zFract="0.24887113"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70525"
                           xFract="0.64184262"
                           y3="3.2702"
                           yFract="0.63258328"
                           z3="6.54885"
                           zFract="0.24887104"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51381"
                           xFract="0.27575735"
                           y3="1.51403"
                           yFract="0.29287202"
                           z3="8.6782"
                           zFract="0.3465102"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99871"
                           xFract="0.27575879"
                           y3="4.09882"
                           yFract="0.79287047"
                           z3="8.86063"
                           zFract="0.34651012"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49477"
                           xFract="0.77575802"
                           y3="1.51403"
                           yFract="0.29287202"
                           z3="8.86063"
                           zFract="0.3465101"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.97967"
                           xFract="0.77575946"
                           y3="4.09882"
                           yFract="0.79287047"
                           z3="9.04306"
                           zFract="0.34651002"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27698"
                           xFract="0.29148575"
                           y3="2.67927"
                           yFract="0.51827454"
                           z3="10.48584"
                           zFract="0.41685595"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79209"
                           xFract="0.29148599"
                           y3="0.09448"
                           yFract="0.01827609"
                           z3="10.3034"
                           zFract="0.4168556"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25794"
                           xFract="0.79148642"
                           y3="2.67927"
                           yFract="0.51827454"
                           z3="10.66827"
                           zFract="0.41685586"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77304"
                           xFract="0.79148498"
                           y3="0.09448"
                           yFract="0.01827609"
                           z3="10.48584"
                           zFract="0.41685594"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98425"
                           xFract="0.11440677"
                           y3="0.52599"
                           yFract="0.10174683"
                           z3="10.63761"
                           zFract="0.4319242"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46915"
                           xFract="0.11440725"
                           y3="3.11079"
                           yFract="0.60174722"
                           z3="10.82004"
                           zFract="0.4319241"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96521"
                           xFract="0.61440744"
                           y3="0.52599"
                           yFract="0.10174683"
                           z3="10.82004"
                           zFract="0.43192411"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4501"
                           xFract="0.61440624"
                           y3="3.11079"
                           yFract="0.60174722"
                           z3="11.00247"
                           zFract="0.43192404"/>
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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.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"
                           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="1.23939"
                           xFract="0.14184147"
                           y3="0.6854"
                           yFract="0.13258289"
                           z3="6.18399"
                           zFract="0.24887123"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72429"
                           xFract="0.14184291"
                           y3="3.27019"
                           yFract="0.63258135"
                           z3="6.36643"
                           zFract="0.24887155"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22035"
                           xFract="0.64184214"
                           y3="0.6854"
                           yFract="0.13258289"
                           z3="6.36643"
                           zFract="0.24887154"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70524"
                           xFract="0.64184191"
                           y3="3.27019"
                           yFract="0.63258135"
                           z3="6.54886"
                           zFract="0.24887149"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51385"
                           xFract="0.27576695"
                           y3="1.5140"
                           yFract="0.29286621"
                           z3="8.67821"
                           zFract="0.34651055"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99874"
                           xFract="0.27576575"
                           y3="4.0988"
                           yFract="0.7928666"
                           z3="8.86064"
                           zFract="0.34651048"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.4948"
                           xFract="0.77576594"
                           y3="1.5140"
                           yFract="0.29286621"
                           z3="8.86064"
                           zFract="0.34651048"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.9797"
                           xFract="0.77576642"
                           y3="4.0988"
                           yFract="0.7928666"
                           z3="9.04307"
                           zFract="0.34651039"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27697"
                           xFract="0.29148311"
                           y3="2.67928"
                           yFract="0.51827648"
                           z3="10.48588"
                           zFract="0.4168576"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79208"
                           xFract="0.29148431"
                           y3="0.09448"
                           yFract="0.01827609"
                           z3="10.30345"
                           zFract="0.41685767"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25793"
                           xFract="0.79148378"
                           y3="2.67928"
                           yFract="0.51827648"
                           z3="10.66831"
                           zFract="0.41685751"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77303"
                           xFract="0.79148331"
                           y3="0.09448"
                           yFract="0.01827609"
                           z3="10.48588"
                           zFract="0.4168576"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98425"
                           xFract="0.11440677"
                           y3="0.52599"
                           yFract="0.10174683"
                           z3="10.63754"
                           zFract="0.43192133"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46914"
                           xFract="0.11440557"
                           y3="3.11079"
                           yFract="0.60174722"
                           z3="10.81997"
                           zFract="0.43192126"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9652"
                           xFract="0.61440576"
                           y3="0.52599"
                           yFract="0.10174683"
                           z3="10.81997"
                           zFract="0.43192127"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4501"
                           xFract="0.61440624"
                           y3="3.11079"
                           yFract="0.60174722"
                           z3="11.0024"
                           zFract="0.43192117"/>
                  </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.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>
                  </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="1.23941"
                           xFract="0.1418429"
                           y3="0.68542"
                           yFract="0.13258676"
                           z3="6.18396"
                           zFract="0.24886992"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7243"
                           xFract="0.1418417"
                           y3="3.27022"
                           yFract="0.63258715"
                           z3="6.36639"
                           zFract="0.24886985"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22036"
                           xFract="0.64184189"
                           y3="0.68542"
                           yFract="0.13258676"
                           z3="6.36639"
                           zFract="0.24886985"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70526"
                           xFract="0.64184237"
                           y3="3.27022"
                           yFract="0.63258715"
                           z3="6.54883"
                           zFract="0.24887017"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5138"
                           xFract="0.27575374"
                           y3="1.51405"
                           yFract="0.29287588"
                           z3="8.67818"
                           zFract="0.34650937"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99869"
                           xFract="0.27575254"
                           y3="4.09885"
                           yFract="0.79287627"
                           z3="8.86061"
                           zFract="0.3465093"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49475"
                           xFract="0.77575274"
                           y3="1.51405"
                           yFract="0.29287588"
                           z3="8.86061"
                           zFract="0.34650931"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.97965"
                           xFract="0.77575321"
                           y3="4.09885"
                           yFract="0.79287627"
                           z3="9.04304"
                           zFract="0.34650921"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27695"
                           xFract="0.29148554"
                           y3="2.67922"
                           yFract="0.51826487"
                           z3="10.48594"
                           zFract="0.41686019"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79205"
                           xFract="0.29148506"
                           y3="0.09442"
                           yFract="0.01826448"
                           z3="10.30351"
                           zFract="0.41686028"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25791"
                           xFract="0.79148621"
                           y3="2.67922"
                           yFract="0.51826487"
                           z3="10.66837"
                           zFract="0.4168601"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77301"
                           xFract="0.79148573"
                           y3="0.09442"
                           yFract="0.01826448"
                           z3="10.48594"
                           zFract="0.41686019"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98424"
                           xFract="0.11440316"
                           y3="0.52601"
                           yFract="0.1017507"
                           z3="10.63756"
                           zFract="0.43192215"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46914"
                           xFract="0.11440364"
                           y3="3.11081"
                           yFract="0.60175108"
                           z3="10.8200"
                           zFract="0.43192246"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9652"
                           xFract="0.61440383"
                           y3="0.52601"
                           yFract="0.1017507"
                           z3="10.8200"
                           zFract="0.43192246"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4501"
                           xFract="0.61440431"
                           y3="3.11081"
                           yFract="0.60175108"
                           z3="11.00243"
                           zFract="0.43192237"/>
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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"/>
                  </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="1.23946"
                           xFract="0.14184454"
                           y3="0.68549"
                           yFract="0.1326003"
                           z3="6.18387"
                           zFract="0.24886601"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72435"
                           xFract="0.14184431"
                           y3="3.27028"
                           yFract="0.63259876"
                           z3="6.3663"
                           zFract="0.24886596"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22041"
                           xFract="0.64184354"
                           y3="0.68549"
                           yFract="0.1326003"
                           z3="6.3663"
                           zFract="0.24886594"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70531"
                           xFract="0.64184498"
                           y3="3.27028"
                           yFract="0.63259876"
                           z3="6.54873"
                           zFract="0.24886586"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51365"
                           xFract="0.27571509"
                           y3="1.51419"
                           yFract="0.29290297"
                           z3="8.67809"
                           zFract="0.34650587"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99855"
                           xFract="0.27571557"
                           y3="4.09899"
                           yFract="0.79290335"
                           z3="8.86052"
                           zFract="0.34650577"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49461"
                           xFract="0.77571576"
                           y3="1.51419"
                           yFract="0.29290297"
                           z3="8.86052"
                           zFract="0.34650577"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.97951"
                           xFract="0.77571624"
                           y3="4.09899"
                           yFract="0.79290335"
                           z3="9.04296"
                           zFract="0.34650609"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27688"
                           xFract="0.29149018"
                           y3="2.67905"
                           yFract="0.51823199"
                           z3="10.48612"
                           zFract="0.41686797"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79199"
                           xFract="0.29149138"
                           y3="0.09425"
                           yFract="0.0182316"
                           z3="10.30368"
                           zFract="0.41686763"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25784"
                           xFract="0.79149085"
                           y3="2.67905"
                           yFract="0.51823199"
                           z3="10.66855"
                           zFract="0.41686788"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77294"
                           xFract="0.79149037"
                           y3="0.09425"
                           yFract="0.0182316"
                           z3="10.48612"
                           zFract="0.41686798"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98423"
                           xFract="0.11439474"
                           y3="0.52608"
                           yFract="0.10176424"
                           z3="10.63763"
                           zFract="0.43192493"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46913"
                           xFract="0.11439522"
                           y3="3.11088"
                           yFract="0.60176463"
                           z3="10.82007"
                           zFract="0.43192525"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96519"
                           xFract="0.61439541"
                           y3="0.52608"
                           yFract="0.10176424"
                           z3="10.82007"
                           zFract="0.43192525"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.45008"
                           xFract="0.61439421"
                           y3="3.11088"
                           yFract="0.60176463"
                           z3="11.0025"
                           zFract="0.43192518"/>
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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"/>
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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"/>
                     <bond atomRefs2="a11 a15" order="S"/>
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                     <bond atomRefs2="a12 a16" order="S"/>
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                     <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="1.23955"
                           xFract="0.14184711"
                           y3="0.68562"
                           yFract="0.13262545"
                           z3="6.18368"
                           zFract="0.24885783"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72445"
                           xFract="0.14184759"
                           y3="3.27042"
                           yFract="0.63262584"
                           z3="6.36611"
                           zFract="0.24885773"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.22051"
                           xFract="0.64184778"
                           y3="0.68562"
                           yFract="0.13262545"
                           z3="6.36611"
                           zFract="0.24885773"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70541"
                           xFract="0.64184826"
                           y3="3.27042"
                           yFract="0.63262584"
                           z3="6.54854"
                           zFract="0.24885764"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51337"
                           xFract="0.27564018"
                           y3="1.51448"
                           yFract="0.29295906"
                           z3="8.67792"
                           zFract="0.34649919"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99826"
                           xFract="0.27563898"
                           y3="4.09928"
                           yFract="0.79295945"
                           z3="8.86035"
                           zFract="0.34649912"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49432"
                           xFract="0.77563918"
                           y3="1.51448"
                           yFract="0.29295906"
                           z3="8.86035"
                           zFract="0.34649912"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.97922"
                           xFract="0.77563966"
                           y3="4.09928"
                           yFract="0.79295945"
                           z3="9.04278"
                           zFract="0.34649903"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27675"
                           xFract="0.29150114"
                           y3="2.67871"
                           yFract="0.51816622"
                           z3="10.48647"
                           zFract="0.41688311"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79185"
                           xFract="0.29150066"
                           y3="0.09391"
                           yFract="0.01816583"
                           z3="10.30404"
                           zFract="0.4168832"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.25771"
                           xFract="0.79150181"
                           y3="2.67871"
                           yFract="0.51816622"
                           z3="10.6689"
                           zFract="0.41688302"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77281"
                           xFract="0.79150133"
                           y3="0.09391"
                           yFract="0.01816583"
                           z3="10.48647"
                           zFract="0.41688311"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.98421"
                           xFract="0.11437886"
                           y3="0.52621"
                           yFract="0.10178939"
                           z3="10.63777"
                           zFract="0.43193052"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46911"
                           xFract="0.11437934"
                           y3="3.11101"
                           yFract="0.60178977"
                           z3="10.82021"
                           zFract="0.43193084"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.96517"
                           xFract="0.61437953"
                           y3="0.52621"
                           yFract="0.10178939"
                           z3="10.82021"
                           zFract="0.43193084"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.45006"
                           xFract="0.61437833"
                           y3="3.11101"
                           yFract="0.60178977"
                           z3="11.00264"
                           zFract="0.43193077"/>
                  </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 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="24">-0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="24">-0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="24">-0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.001</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">-0.002</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-47.55133708</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-47.53827346</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-47.54698254</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-8.8564</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5072672E-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="1.23955"
                        xFract="0.14184711"
                        y3="0.68562"
                        yFract="0.13262545"
                        z3="6.18368"
                        zFract="0.24885783"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.72445"
                        xFract="0.14184759"
                        y3="3.27042"
                        yFract="0.63262584"
                        z3="6.36611"
                        zFract="0.24885773"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.22051"
                        xFract="0.64184778"
                        y3="0.68562"
                        yFract="0.13262545"
                        z3="6.36611"
                        zFract="0.24885773"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.70541"
                        xFract="0.64184826"
                        y3="3.27042"
                        yFract="0.63262584"
                        z3="6.54854"
                        zFract="0.24885764"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.51337"
                        xFract="0.27564018"
                        y3="1.51448"
                        yFract="0.29295906"
                        z3="8.67792"
                        zFract="0.34649919"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="3.99826"
                        xFract="0.27563898"
                        y3="4.09928"
                        yFract="0.79295945"
                        z3="8.86035"
                        zFract="0.34649912"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.49432"
                        xFract="0.77563918"
                        y3="1.51448"
                        yFract="0.29295906"
                        z3="8.86035"
                        zFract="0.34649912"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="6.97922"
                        xFract="0.77563966"
                        y3="4.09928"
                        yFract="0.79295945"
                        z3="9.04278"
                        zFract="0.34649903"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.27675"
                        xFract="0.29150114"
                        y3="2.67871"
                        yFract="0.51816622"
                        z3="10.48647"
                        zFract="0.41688311"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.79185"
                        xFract="0.29150066"
                        y3="0.09391"
                        yFract="0.01816583"
                        z3="10.30404"
                        zFract="0.4168832"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.25771"
                        xFract="0.79150181"
                        y3="2.67871"
                        yFract="0.51816622"
                        z3="10.6689"
                        zFract="0.41688302"/>
                  <atom elementType="O"
                        id="a20"
                        x3="4.77281"
                        xFract="0.79150133"
                        y3="0.09391"
                        yFract="0.01816583"
                        z3="10.48647"
                        zFract="0.41688311"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.98421"
                        xFract="0.11437886"
                        y3="0.52621"
                        yFract="0.10178939"
                        z3="10.63777"
                        zFract="0.43193052"/>
                  <atom elementType="H"
                        id="a22"
                        x3="2.46911"
                        xFract="0.11437934"
                        y3="3.11101"
                        yFract="0.60178977"
                        z3="10.82021"
                        zFract="0.43193084"/>
                  <atom elementType="H"
                        id="a23"
                        x3="3.96517"
                        xFract="0.61437953"
                        y3="0.52621"
                        yFract="0.10178939"
                        z3="10.82021"
                        zFract="0.43193084"/>
                  <atom elementType="H"
                        id="a24"
                        x3="5.45006"
                        xFract="0.61437833"
                        y3="3.11101"
                        yFract="0.60178977"
                        z3="11.00264"
                        zFract="0.43193077"/>
               </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>
