<?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">2025-04-07T14:46:21.000</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">204.4080</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">-26.1497 -25.5736 -25.5706 -25.4556 -14.2501 -14.1271 -13.4224 -13.4017 -13.3964 -13.3157 -13.3077 -13.3063 -13.2152 -13.2107 -13.2000 -13.1998 -13.1828 -13.1755 -13.1732 -13.0528 -12.9463 -12.9358 -12.9349 -12.7032 -12.6067 -12.6064 -12.4198 -12.2901 -12.2831 -12.1639 -12.1333 -12.1123 -12.1090 -12.0733 -12.0645 -12.0504 -12.0448 -12.0092 -11.9832 -11.9826 -11.9619 -11.9596 -11.8732 -11.8711 -11.8038 -11.7691 -11.6472 -11.5332 -11.5103 -11.4884 -11.4850 -11.4449 -11.4435 -11.3668 -11.3044 -11.2442 -11.2048 -11.0819 -11.0457 -11.0440 -11.0366 -11.0360 -10.9655 -10.9589 -10.9562 -10.8981 -10.8973 -10.8558 -10.7845 -10.7294 -10.6485 -10.6482 -10.6453 -10.6299 -10.6201 -10.5931 -10.5930 -10.5339 -10.4847 -10.4846 -10.4542 -10.4520 -10.4500 -10.4324 -10.4257 -10.3970 -10.3904 -10.1243 -9.9613 -9.9607 -9.9606 -9.1946 -9.1685 -9.1639 -8.7274 -8.6799 -8.6721 -7.9604 -7.5256 -7.4665 -7.0776 -7.0592 -7.0540 -6.4559 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                     <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.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>
                  </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="1.23874"
                           xFract="0.14176232"
                           y3="0.68509"
                           yFract="0.13252293"
                           z3="6.18305"
                           zFract="0.24883485"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72363"
                           xFract="0.14176112"
                           y3="3.26989"
                           yFract="0.63252332"
                           z3="6.36548"
                           zFract="0.24883478"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21969"
                           xFract="0.64176131"
                           y3="0.68509"
                           yFract="0.13252293"
                           z3="6.36548"
                           zFract="0.24883478"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70459"
                           xFract="0.64176179"
                           y3="3.26989"
                           yFract="0.63252332"
                           z3="6.54792"
                           zFract="0.2488351"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51874"
                           xFract="0.27691188"
                           y3="1.51063"
                           yFract="0.29221432"
                           z3="8.67718"
                           zFract="0.34646106"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00363"
                           xFract="0.27691164"
                           y3="4.09542"
                           yFract="0.79221278"
                           z3="8.85961"
                           zFract="0.346461"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49969"
                           xFract="0.77691087"
                           y3="1.51063"
                           yFract="0.29221432"
                           z3="8.85961"
                           zFract="0.34646099"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98459"
                           xFract="0.77691231"
                           y3="4.09542"
                           yFract="0.79221278"
                           z3="9.04204"
                           zFract="0.34646091"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28216"
                           xFract="0.29287589"
                           y3="2.67386"
                           yFract="0.51722804"
                           z3="10.51118"
                           zFract="0.4178874"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79727"
                           xFract="0.29287709"
                           y3="0.08906"
                           yFract="0.01722765"
                           z3="10.32875"
                           zFract="0.41788747"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26312"
                           xFract="0.79287657"
                           y3="2.67386"
                           yFract="0.51722804"
                           z3="10.69361"
                           zFract="0.41788731"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77822"
                           xFract="0.79287609"
                           y3="0.08906"
                           yFract="0.01722765"
                           z3="10.51118"
                           zFract="0.4178874"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97763"
                           xFract="0.11285025"
                           y3="0.53062"
                           yFract="0.10264245"
                           z3="10.61372"
                           zFract="0.4309568"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46252"
                           xFract="0.11284905"
                           y3="3.11542"
                           yFract="0.60264284"
                           z3="10.79616"
                           zFract="0.43095714"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95858"
                           xFract="0.61284925"
                           y3="0.53062"
                           yFract="0.10264245"
                           z3="10.79616"
                           zFract="0.43095714"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44348"
                           xFract="0.61284972"
                           y3="3.11542"
                           yFract="0.60264284"
                           z3="10.97859"
                           zFract="0.43095705"/>
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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.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>
                  </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="1.23863"
                           xFract="0.14173809"
                           y3="0.68515"
                           yFract="0.13253453"
                           z3="6.1832"
                           zFract="0.24884117"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72353"
                           xFract="0.14173856"
                           y3="3.26995"
                           yFract="0.63253492"
                           z3="6.36563"
                           zFract="0.24884108"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21959"
                           xFract="0.64173876"
                           y3="0.68515"
                           yFract="0.13253453"
                           z3="6.36563"
                           zFract="0.24884108"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70449"
                           xFract="0.64173924"
                           y3="3.26995"
                           yFract="0.63253492"
                           z3="6.54807"
                           zFract="0.2488414"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51883"
                           xFract="0.27691926"
                           y3="1.51071"
                           yFract="0.2922298"
                           z3="8.67494"
                           zFract="0.34636908"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00373"
                           xFract="0.27691974"
                           y3="4.09551"
                           yFract="0.79223019"
                           z3="8.85737"
                           zFract="0.34636899"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49979"
                           xFract="0.77691993"
                           y3="1.51071"
                           yFract="0.2922298"
                           z3="8.85737"
                           zFract="0.34636899"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98469"
                           xFract="0.77692041"
                           y3="4.09551"
                           yFract="0.79223019"
                           z3="9.0398"
                           zFract="0.3463689"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28189"
                           xFract="0.29282964"
                           y3="2.67387"
                           yFract="0.51722997"
                           z3="10.51657"
                           zFract="0.41810855"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79699"
                           xFract="0.29282916"
                           y3="0.08907"
                           yFract="0.01722959"
                           z3="10.33414"
                           zFract="0.41810864"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26285"
                           xFract="0.79283031"
                           y3="2.67387"
                           yFract="0.51722997"
                           z3="10.6990"
                           zFract="0.41810846"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77795"
                           xFract="0.79282984"
                           y3="0.08907"
                           yFract="0.01722959"
                           z3="10.51657"
                           zFract="0.41810855"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9778"
                           xFract="0.11286335"
                           y3="0.53078"
                           yFract="0.1026734"
                           z3="10.6104"
                           zFract="0.43082033"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46269"
                           xFract="0.11286215"
                           y3="3.11558"
                           yFract="0.60267379"
                           z3="10.79283"
                           zFract="0.43082026"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95875"
                           xFract="0.61286234"
                           y3="0.53078"
                           yFract="0.1026734"
                           z3="10.79283"
                           zFract="0.43082026"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44365"
                           xFract="0.61286282"
                           y3="3.11558"
                           yFract="0.60267379"
                           z3="10.97526"
                           zFract="0.43082017"/>
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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"/>
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                  <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>
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                           xFract="0.33604563"
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                           zFract="0.15000014"/>
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                           z3="6.54837"
                           zFract="0.24885402"/>
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                           xFract="0.27693739"
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                           z3="8.67045"
                           zFract="0.34618468"/>
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                           xFract="0.27693619"
                           y3="4.09567"
                           yFract="0.79226114"
                           z3="8.85288"
                           zFract="0.34618461"/>
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                           x3="5.49998"
                           xFract="0.77693639"
                           y3="1.51087"
                           yFract="0.29226075"
                           z3="8.85288"
                           zFract="0.34618461"/>
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                           xFract="0.77693686"
                           y3="4.09567"
                           yFract="0.79226114"
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                           zFract="0.34618452"/>
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                           x3="3.28135"
                           xFract="0.29273714"
                           y3="2.67389"
                           yFract="0.51723384"
                           z3="10.52735"
                           zFract="0.41855085"/>
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                           x3="1.79645"
                           xFract="0.29273666"
                           y3="0.08909"
                           yFract="0.01723345"
                           z3="10.34492"
                           zFract="0.41855094"/>
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                           xFract="0.79273613"
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                           yFract="0.51723384"
                           z3="10.70978"
                           zFract="0.41855078"/>
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                           xFract="0.79273733"
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                           yFract="0.01723345"
                           z3="10.52735"
                           zFract="0.41855085"/>
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                           xFract="0.11289051"
                           y3="0.53109"
                           yFract="0.10273337"
                           z3="10.60374"
                           zFract="0.43054659"/>
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                           x3="2.46303"
                           xFract="0.11288931"
                           y3="3.11589"
                           yFract="0.60273375"
                           z3="10.78618"
                           zFract="0.43054693"/>
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                           xFract="0.6128895"
                           y3="0.53109"
                           yFract="0.10273337"
                           z3="10.78618"
                           zFract="0.43054693"/>
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                           xFract="0.61288998"
                           y3="3.11589"
                           yFract="0.60273375"
                           z3="10.96861"
                           zFract="0.43054684"/>
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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"/>
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                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
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                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               <molecule id="calculation.position.5">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           zFract="0.05000019"/>
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                           xFract="0.8360463"
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                           z3="1.64995"
                           zFract="0.05000019"/>
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                           id="a4"
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                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
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                           zFract="0.14999981"/>
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                           xFract="0.48604607"
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                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
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                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a8"
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                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           id="a9"
                           x3="1.23855"
                           xFract="0.14171985"
                           y3="0.6852"
                           yFract="0.13254421"
                           z3="6.18332"
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                           xFract="0.14172033"
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                           yFract="0.63254459"
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                           zFract="0.24884612"/>
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                           y3="0.6852"
                           yFract="0.13254421"
                           z3="6.36575"
                           zFract="0.24884612"/>
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                           xFract="0.641721"
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                           yFract="0.63254459"
                           z3="6.54818"
                           zFract="0.24884602"/>
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                           id="a13"
                           x3="2.51891"
                           xFract="0.2769269"
                           y3="1.51077"
                           yFract="0.29224141"
                           z3="8.6732"
                           zFract="0.34629762"/>
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                           id="a14"
                           x3="4.0038"
                           xFract="0.2769257"
                           y3="4.09557"
                           yFract="0.79224179"
                           z3="8.85563"
                           zFract="0.34629755"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49986"
                           xFract="0.77692589"
                           y3="1.51077"
                           yFract="0.29224141"
                           z3="8.85563"
                           zFract="0.34629755"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98476"
                           xFract="0.77692637"
                           y3="4.09557"
                           yFract="0.79224179"
                           z3="9.03806"
                           zFract="0.34629746"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28168"
                           xFract="0.29279346"
                           y3="2.67388"
                           yFract="0.51723191"
                           z3="10.52075"
                           zFract="0.41828005"/>
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                           id="a18"
                           x3="1.79678"
                           xFract="0.29279298"
                           y3="0.08908"
                           yFract="0.01723152"
                           z3="10.33832"
                           zFract="0.41828014"/>
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                           x3="6.26264"
                           xFract="0.79279413"
                           y3="2.67388"
                           yFract="0.51723191"
                           z3="10.70318"
                           zFract="0.41827996"/>
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                           id="a20"
                           x3="4.77774"
                           xFract="0.79279365"
                           y3="0.08908"
                           yFract="0.01723152"
                           z3="10.52075"
                           zFract="0.41828005"/>
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                           id="a21"
                           x3="0.97793"
                           xFract="0.11287359"
                           y3="0.5309"
                           yFract="0.10269661"
                           z3="10.60782"
                           zFract="0.43071429"/>
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                           id="a22"
                           x3="2.46282"
                           xFract="0.11287239"
                           y3="3.1157"
                           yFract="0.602697"
                           z3="10.79025"
                           zFract="0.43071422"/>
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                           id="a23"
                           x3="3.95888"
                           xFract="0.61287259"
                           y3="0.5309"
                           yFract="0.10269661"
                           z3="10.79025"
                           zFract="0.43071422"/>
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                           x3="5.44378"
                           xFract="0.61287306"
                           y3="3.1157"
                           yFract="0.602697"
                           z3="10.97268"
                           zFract="0.43071413"/>
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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"/>
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                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
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                     <bond atomRefs2="a5 a6" order="S"/>
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                     <bond atomRefs2="a6 a8" order="S"/>
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                     <bond atomRefs2="a11 a15" order="S"/>
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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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                           yFract="0.48604572"
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                           yFract="0.98604417"
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                           zFract="0.15000014"/>
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                           id="a7"
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                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
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                           zFract="0.15000008"/>
                     <atom elementType="Ag"
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                           x3="1.23853"
                           xFract="0.14171457"
                           y3="0.68522"
                           yFract="0.13254808"
                           z3="6.18332"
                           zFract="0.24884623"/>
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                           id="a10"
                           x3="2.72342"
                           xFract="0.14171337"
                           y3="3.27002"
                           yFract="0.63254846"
                           z3="6.36575"
                           zFract="0.24884616"/>
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                           id="a11"
                           x3="4.21948"
                           xFract="0.64171356"
                           y3="0.68522"
                           yFract="0.13254808"
                           z3="6.36575"
                           zFract="0.24884617"/>
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                           id="a12"
                           x3="5.70438"
                           xFract="0.64171404"
                           y3="3.27002"
                           yFract="0.63254846"
                           z3="6.54818"
                           zFract="0.24884607"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51895"
                           xFract="0.27693361"
                           y3="1.51077"
                           yFract="0.29224141"
                           z3="8.67275"
                           zFract="0.34627911"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00385"
                           xFract="0.27693409"
                           y3="4.09557"
                           yFract="0.79224179"
                           z3="8.85518"
                           zFract="0.34627902"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.49991"
                           xFract="0.77693428"
                           y3="1.51077"
                           yFract="0.29224141"
                           z3="8.85518"
                           zFract="0.34627902"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.9848"
                           xFract="0.77693308"
                           y3="4.09557"
                           yFract="0.79224179"
                           z3="9.03761"
                           zFract="0.34627895"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28216"
                           xFract="0.29290191"
                           y3="2.67359"
                           yFract="0.51717581"
                           z3="10.52189"
                           zFract="0.4183259"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79727"
                           xFract="0.29290311"
                           y3="0.08879"
                           yFract="0.01717542"
                           z3="10.33946"
                           zFract="0.41832597"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26312"
                           xFract="0.79290258"
                           y3="2.67359"
                           yFract="0.51717581"
                           z3="10.70432"
                           zFract="0.41832581"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77822"
                           xFract="0.7929021"
                           y3="0.08879"
                           yFract="0.01717542"
                           z3="10.52189"
                           zFract="0.41832591"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97739"
                           xFract="0.11274736"
                           y3="0.53127"
                           yFract="0.10276819"
                           z3="10.60712"
                           zFract="0.43068647"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46228"
                           xFract="0.11274713"
                           y3="3.11606"
                           yFract="0.60276664"
                           z3="10.78955"
                           zFract="0.43068642"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95834"
                           xFract="0.61274636"
                           y3="0.53127"
                           yFract="0.10276819"
                           z3="10.78955"
                           zFract="0.43068641"/>
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                           id="a24"
                           x3="5.44324"
                           xFract="0.6127478"
                           y3="3.11606"
                           yFract="0.60276664"
                           z3="10.97198"
                           zFract="0.43068633"/>
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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.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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                           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="1.23846"
                           xFract="0.14169705"
                           y3="0.68528"
                           yFract="0.13255968"
                           z3="6.18332"
                           zFract="0.24884632"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72335"
                           xFract="0.14169585"
                           y3="3.27008"
                           yFract="0.63256007"
                           z3="6.36576"
                           zFract="0.24884666"/>
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                           id="a11"
                           x3="4.21941"
                           xFract="0.64169604"
                           y3="0.68528"
                           yFract="0.13255968"
                           z3="6.36576"
                           zFract="0.24884666"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70431"
                           xFract="0.64169652"
                           y3="3.27008"
                           yFract="0.63256007"
                           z3="6.54819"
                           zFract="0.24884657"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51907"
                           xFract="0.27695277"
                           y3="1.51078"
                           yFract="0.29224334"
                           z3="8.67141"
                           zFract="0.34622398"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00397"
                           xFract="0.27695325"
                           y3="4.09558"
                           yFract="0.79224373"
                           z3="8.85384"
                           zFract="0.34622389"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50003"
                           xFract="0.77695345"
                           y3="1.51078"
                           yFract="0.29224334"
                           z3="8.85384"
                           zFract="0.34622389"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98493"
                           xFract="0.77695392"
                           y3="4.09558"
                           yFract="0.79224373"
                           z3="9.03628"
                           zFract="0.3462242"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2836"
                           xFract="0.2932292"
                           y3="2.6727"
                           yFract="0.51700365"
                           z3="10.52533"
                           zFract="0.41846431"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79871"
                           xFract="0.29322944"
                           y3="0.08791"
                           yFract="0.0170052"
                           z3="10.34289"
                           zFract="0.41846395"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26456"
                           xFract="0.79322987"
                           y3="2.6727"
                           yFract="0.51700365"
                           z3="10.70776"
                           zFract="0.41846421"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77966"
                           xFract="0.79322843"
                           y3="0.08791"
                           yFract="0.0170052"
                           z3="10.52533"
                           zFract="0.41846429"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97576"
                           xFract="0.11236893"
                           y3="0.53236"
                           yFract="0.10297903"
                           z3="10.60502"
                           zFract="0.43060307"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.46065"
                           xFract="0.1123687"
                           y3="3.11715"
                           yFract="0.60297749"
                           z3="10.78745"
                           zFract="0.43060301"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95671"
                           xFract="0.61236793"
                           y3="0.53236"
                           yFract="0.10297903"
                           z3="10.78745"
                           zFract="0.430603"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.44161"
                           xFract="0.61236937"
                           y3="3.11715"
                           yFract="0.60297749"
                           z3="10.96988"
                           zFract="0.43060292"/>
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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"/>
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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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                     <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"
                           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"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23831"
                           xFract="0.14165936"
                           y3="0.68541"
                           yFract="0.13258483"
                           z3="6.18333"
                           zFract="0.24884692"/>
                     <atom elementType="Ag"
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                           x3="2.7232"
                           xFract="0.14165816"
                           y3="3.27021"
                           yFract="0.63258522"
                           z3="6.36577"
                           zFract="0.24884726"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21926"
                           xFract="0.64165835"
                           y3="0.68541"
                           yFract="0.13258483"
                           z3="6.36577"
                           zFract="0.24884726"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70416"
                           xFract="0.64165883"
                           y3="3.27021"
                           yFract="0.63258522"
                           z3="6.5482"
                           zFract="0.24884716"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51932"
                           xFract="0.27699374"
                           y3="1.51079"
                           yFract="0.29224527"
                           z3="8.66873"
                           zFract="0.34611371"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00422"
                           xFract="0.27699422"
                           y3="4.09559"
                           yFract="0.79224566"
                           z3="8.85116"
                           zFract="0.34611361"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50028"
                           xFract="0.77699441"
                           y3="1.51079"
                           yFract="0.29224527"
                           z3="8.85116"
                           zFract="0.34611362"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98518"
                           xFract="0.77699489"
                           y3="4.09559"
                           yFract="0.79224566"
                           z3="9.0336"
                           zFract="0.34611393"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28649"
                           xFract="0.29388353"
                           y3="2.67094"
                           yFract="0.5166632"
                           z3="10.53219"
                           zFract="0.41874024"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80159"
                           xFract="0.29388209"
                           y3="0.08615"
                           yFract="0.01666475"
                           z3="10.34976"
                           zFract="0.41874032"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26745"
                           xFract="0.79388421"
                           y3="2.67094"
                           yFract="0.5166632"
                           z3="10.71463"
                           zFract="0.41874056"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78255"
                           xFract="0.79388276"
                           y3="0.08615"
                           yFract="0.01666475"
                           z3="10.53219"
                           zFract="0.41874023"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9725"
                           xFract="0.11161207"
                           y3="0.53454"
                           yFract="0.10340073"
                           z3="10.60081"
                           zFract="0.43043585"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4574"
                           xFract="0.11161255"
                           y3="3.11934"
                           yFract="0.60340112"
                           z3="10.78324"
                           zFract="0.43043576"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95346"
                           xFract="0.61161274"
                           y3="0.53454"
                           yFract="0.10340073"
                           z3="10.78324"
                           zFract="0.43043576"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43835"
                           xFract="0.61161154"
                           y3="3.11934"
                           yFract="0.60340112"
                           z3="10.96568"
                           zFract="0.4304361"/>
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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.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="1.23833"
                           xFract="0.14166464"
                           y3="0.68539"
                           yFract="0.13258096"
                           z3="6.18333"
                           zFract="0.2488469"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72323"
                           xFract="0.14166512"
                           y3="3.27019"
                           yFract="0.63258135"
                           z3="6.36576"
                           zFract="0.2488468"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21929"
                           xFract="0.64166531"
                           y3="0.68539"
                           yFract="0.13258096"
                           z3="6.36576"
                           zFract="0.2488468"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70419"
                           xFract="0.64166579"
                           y3="3.27019"
                           yFract="0.63258135"
                           z3="6.5482"
                           zFract="0.24884712"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51928"
                           xFract="0.27698703"
                           y3="1.51079"
                           yFract="0.29224527"
                           z3="8.66919"
                           zFract="0.34613263"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00418"
                           xFract="0.27698751"
                           y3="4.09559"
                           yFract="0.79224566"
                           z3="8.85162"
                           zFract="0.34613253"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50024"
                           xFract="0.77698771"
                           y3="1.51079"
                           yFract="0.29224527"
                           z3="8.85162"
                           zFract="0.34613254"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98513"
                           xFract="0.77698651"
                           y3="4.09559"
                           yFract="0.79224566"
                           z3="9.03405"
                           zFract="0.34613247"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2860"
                           xFract="0.29377244"
                           y3="2.67124"
                           yFract="0.51672123"
                           z3="10.53102"
                           zFract="0.41869317"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.8011"
                           xFract="0.293771"
                           y3="0.08645"
                           yFract="0.01672278"
                           z3="10.34859"
                           zFract="0.41869325"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26695"
                           xFract="0.79377143"
                           y3="2.67124"
                           yFract="0.51672123"
                           z3="10.71345"
                           zFract="0.41869311"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78206"
                           xFract="0.79377167"
                           y3="0.08645"
                           yFract="0.01672278"
                           z3="10.53102"
                           zFract="0.41869316"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97306"
                           xFract="0.11174262"
                           y3="0.53416"
                           yFract="0.10332722"
                           z3="10.60153"
                           zFract="0.43046446"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45796"
                           xFract="0.11174309"
                           y3="3.11896"
                           yFract="0.60332761"
                           z3="10.78396"
                           zFract="0.43046436"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95402"
                           xFract="0.61174329"
                           y3="0.53416"
                           yFract="0.10332722"
                           z3="10.78396"
                           zFract="0.43046436"/>
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                           id="a24"
                           x3="5.43891"
                           xFract="0.61174209"
                           y3="3.11896"
                           yFract="0.60332761"
                           z3="10.9664"
                           zFract="0.4304647"/>
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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.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           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="1.23833"
                           xFract="0.14166464"
                           y3="0.68539"
                           yFract="0.13258096"
                           z3="6.18333"
                           zFract="0.2488469"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72322"
                           xFract="0.14166344"
                           y3="3.27019"
                           yFract="0.63258135"
                           z3="6.36577"
                           zFract="0.24884723"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21928"
                           xFract="0.64166364"
                           y3="0.68539"
                           yFract="0.13258096"
                           z3="6.36577"
                           zFract="0.24884724"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70418"
                           xFract="0.64166411"
                           y3="3.27019"
                           yFract="0.63258135"
                           z3="6.5482"
                           zFract="0.24884714"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51929"
                           xFract="0.27698871"
                           y3="1.51079"
                           yFract="0.29224527"
                           z3="8.66906"
                           zFract="0.34612728"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00419"
                           xFract="0.27698919"
                           y3="4.09559"
                           yFract="0.79224566"
                           z3="8.85149"
                           zFract="0.34612719"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50025"
                           xFract="0.77698938"
                           y3="1.51079"
                           yFract="0.29224527"
                           z3="8.85149"
                           zFract="0.34612719"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98515"
                           xFract="0.77698986"
                           y3="4.09559"
                           yFract="0.79224566"
                           z3="9.03393"
                           zFract="0.34612751"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28613"
                           xFract="0.29380195"
                           y3="2.67116"
                           yFract="0.51670575"
                           z3="10.53135"
                           zFract="0.41870646"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80124"
                           xFract="0.29380315"
                           y3="0.08636"
                           yFract="0.01670537"
                           z3="10.34892"
                           zFract="0.41870653"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26709"
                           xFract="0.79380262"
                           y3="2.67116"
                           yFract="0.51670575"
                           z3="10.71378"
                           zFract="0.41870637"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78219"
                           xFract="0.79380214"
                           y3="0.08636"
                           yFract="0.01670537"
                           z3="10.53135"
                           zFract="0.41870647"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9729"
                           xFract="0.11170518"
                           y3="0.53427"
                           yFract="0.1033485"
                           z3="10.60133"
                           zFract="0.43045652"/>
                     <atom elementType="H"
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                           x3="2.4578"
                           xFract="0.11170566"
                           y3="3.11907"
                           yFract="0.60334889"
                           z3="10.78376"
                           zFract="0.43045642"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95386"
                           xFract="0.61170585"
                           y3="0.53427"
                           yFract="0.1033485"
                           z3="10.78376"
                           zFract="0.43045642"/>
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                           id="a24"
                           x3="5.43876"
                           xFract="0.61170633"
                           y3="3.11907"
                           yFract="0.60334889"
                           z3="10.96619"
                           zFract="0.43045633"/>
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                     <bond atomRefs2="a1 a3" order="S"/>
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                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
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                     <bond atomRefs2="a3 a7" order="S"/>
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                     <bond atomRefs2="a4 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.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>
                     <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="1.23829"
                           xFract="0.14165215"
                           y3="0.68545"
                           yFract="0.13259257"
                           z3="6.18316"
                           zFract="0.24883995"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72319"
                           xFract="0.14165263"
                           y3="3.27025"
                           yFract="0.63259295"
                           z3="6.3656"
                           zFract="0.24884027"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21925"
                           xFract="0.64165282"
                           y3="0.68545"
                           yFract="0.13259257"
                           z3="6.3656"
                           zFract="0.24884027"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70415"
                           xFract="0.6416533"
                           y3="3.27025"
                           yFract="0.63259295"
                           z3="6.54803"
                           zFract="0.24884018"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51939"
                           xFract="0.27701223"
                           y3="1.51072"
                           yFract="0.29223173"
                           z3="8.66937"
                           zFract="0.34613982"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00428"
                           xFract="0.27701199"
                           y3="4.09551"
                           yFract="0.79223019"
                           z3="8.8518"
                           zFract="0.34613976"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50034"
                           xFract="0.77701122"
                           y3="1.51072"
                           yFract="0.29223173"
                           z3="8.8518"
                           zFract="0.34613975"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98524"
                           xFract="0.77701267"
                           y3="4.09551"
                           yFract="0.79223019"
                           z3="9.03423"
                           zFract="0.34613967"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28614"
                           xFract="0.29380748"
                           y3="2.67112"
                           yFract="0.51669802"
                           z3="10.53189"
                           zFract="0.41872859"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80124"
                           xFract="0.29380604"
                           y3="0.08633"
                           yFract="0.01669956"
                           z3="10.34946"
                           zFract="0.41872867"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2671"
                           xFract="0.79380815"
                           y3="2.67112"
                           yFract="0.51669802"
                           z3="10.71432"
                           zFract="0.41872849"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7822"
                           xFract="0.79380671"
                           y3="0.08633"
                           yFract="0.01669956"
                           z3="10.53189"
                           zFract="0.41872857"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97278"
                           xFract="0.11167156"
                           y3="0.53441"
                           yFract="0.10337558"
                           z3="10.60069"
                           zFract="0.43043043"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45767"
                           xFract="0.11167036"
                           y3="3.11921"
                           yFract="0.60337597"
                           z3="10.78312"
                           zFract="0.43043036"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95373"
                           xFract="0.61167055"
                           y3="0.53441"
                           yFract="0.10337558"
                           z3="10.78312"
                           zFract="0.43043037"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43863"
                           xFract="0.61167103"
                           y3="3.11921"
                           yFract="0.60337597"
                           z3="10.96555"
                           zFract="0.43043027"/>
                  </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.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>
                  </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="1.23819"
                           xFract="0.141619"
                           y3="0.68562"
                           yFract="0.13262545"
                           z3="6.18266"
                           zFract="0.2488195"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72309"
                           xFract="0.14162044"
                           y3="3.27041"
                           yFract="0.6326239"
                           z3="6.36509"
                           zFract="0.24881942"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21915"
                           xFract="0.64161967"
                           y3="0.68562"
                           yFract="0.13262545"
                           z3="6.36509"
                           zFract="0.24881941"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70405"
                           xFract="0.64162111"
                           y3="3.27041"
                           yFract="0.6326239"
                           z3="6.54752"
                           zFract="0.24881933"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.51967"
                           xFract="0.27708039"
                           y3="1.5105"
                           yFract="0.29218918"
                           z3="8.6703"
                           zFract="0.34617748"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00457"
                           xFract="0.27708183"
                           y3="4.09529"
                           yFract="0.79218763"
                           z3="8.85273"
                           zFract="0.3461774"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50063"
                           xFract="0.77708106"
                           y3="1.5105"
                           yFract="0.29218918"
                           z3="8.85273"
                           zFract="0.34617739"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98553"
                           xFract="0.77708251"
                           y3="4.09529"
                           yFract="0.79218763"
                           z3="9.03516"
                           zFract="0.34617731"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28616"
                           xFract="0.29382047"
                           y3="2.67102"
                           yFract="0.51667867"
                           z3="10.53352"
                           zFract="0.41879536"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80126"
                           xFract="0.29382"
                           y3="0.08622"
                           yFract="0.01667829"
                           z3="10.35109"
                           zFract="0.41879545"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26711"
                           xFract="0.79381947"
                           y3="2.67102"
                           yFract="0.51667867"
                           z3="10.71595"
                           zFract="0.41879529"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78222"
                           xFract="0.79382067"
                           y3="0.08622"
                           yFract="0.01667829"
                           z3="10.53352"
                           zFract="0.41879536"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9724"
                           xFract="0.11156639"
                           y3="0.53484"
                           yFract="0.10345876"
                           z3="10.59875"
                           zFract="0.4303514"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4573"
                           xFract="0.11156687"
                           y3="3.11964"
                           yFract="0.60345915"
                           z3="10.78118"
                           zFract="0.43035131"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95336"
                           xFract="0.61156706"
                           y3="0.53484"
                           yFract="0.10345876"
                           z3="10.78118"
                           zFract="0.43035131"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43825"
                           xFract="0.61156586"
                           y3="3.11964"
                           yFract="0.60345915"
                           z3="10.96362"
                           zFract="0.43035165"/>
                  </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.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           xFract="0.83604678"
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                           xFract="0.48604463"
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                           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"/>
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                           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="1.23799"
                           xFract="0.14155365"
                           y3="0.68595"
                           yFract="0.13268929"
                           z3="6.18165"
                           zFract="0.24877821"/>
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                           xFract="0.14155413"
                           y3="3.27075"
                           yFract="0.63268967"
                           z3="6.36408"
                           zFract="0.24877812"/>
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                           x3="4.21895"
                           xFract="0.64155432"
                           y3="0.68595"
                           yFract="0.13268929"
                           z3="6.36408"
                           zFract="0.24877812"/>
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                           id="a12"
                           x3="5.70385"
                           xFract="0.6415548"
                           y3="3.27075"
                           yFract="0.63268967"
                           z3="6.54651"
                           zFract="0.24877803"/>
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                           id="a13"
                           x3="2.52024"
                           xFract="0.2772184"
                           y3="1.51006"
                           yFract="0.29210406"
                           z3="8.67215"
                           zFract="0.34625237"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00514"
                           xFract="0.27721888"
                           y3="4.09486"
                           yFract="0.79210445"
                           z3="8.85458"
                           zFract="0.34625227"/>
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                           id="a15"
                           x3="5.5012"
                           xFract="0.77721907"
                           y3="1.51006"
                           yFract="0.29210406"
                           z3="8.85458"
                           zFract="0.34625227"/>
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                           id="a16"
                           x3="6.9861"
                           xFract="0.77721955"
                           y3="4.09486"
                           yFract="0.79210445"
                           z3="9.03701"
                           zFract="0.34625218"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28619"
                           xFract="0.29384574"
                           y3="2.67081"
                           yFract="0.51663805"
                           z3="10.53678"
                           zFract="0.41892894"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80129"
                           xFract="0.29384526"
                           y3="0.08601"
                           yFract="0.01663766"
                           z3="10.35435"
                           zFract="0.41892904"/>
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                           x3="6.26714"
                           xFract="0.79384473"
                           y3="2.67081"
                           yFract="0.51663805"
                           z3="10.71921"
                           zFract="0.41892888"/>
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                           id="a20"
                           x3="4.78225"
                           xFract="0.79384593"
                           y3="0.08601"
                           yFract="0.01663766"
                           z3="10.53678"
                           zFract="0.41892895"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97164"
                           xFract="0.11135605"
                           y3="0.5357"
                           yFract="0.10362512"
                           z3="10.59488"
                           zFract="0.43019375"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45654"
                           xFract="0.11135652"
                           y3="3.1205"
                           yFract="0.60362551"
                           z3="10.77732"
                           zFract="0.43019406"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9526"
                           xFract="0.61135672"
                           y3="0.5357"
                           yFract="0.10362512"
                           z3="10.77732"
                           zFract="0.43019407"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43749"
                           xFract="0.61135552"
                           y3="3.1205"
                           yFract="0.60362551"
                           z3="10.95975"
                           zFract="0.430194"/>
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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.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>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.2379"
                           xFract="0.14152314"
                           y3="0.68611"
                           yFract="0.13272024"
                           z3="6.18116"
                           zFract="0.24875816"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72279"
                           xFract="0.14152194"
                           y3="3.27091"
                           yFract="0.63272062"
                           z3="6.36359"
                           zFract="0.24875809"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21885"
                           xFract="0.64152213"
                           y3="0.68611"
                           yFract="0.13272024"
                           z3="6.36359"
                           zFract="0.24875809"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70375"
                           xFract="0.64152261"
                           y3="3.27091"
                           yFract="0.63272062"
                           z3="6.54602"
                           zFract="0.248758"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52052"
                           xFract="0.27728656"
                           y3="1.50984"
                           yFract="0.29206151"
                           z3="8.67305"
                           zFract="0.3462888"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00542"
                           xFract="0.27728704"
                           y3="4.09464"
                           yFract="0.79206189"
                           z3="8.85548"
                           zFract="0.3462887"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50148"
                           xFract="0.77728723"
                           y3="1.50984"
                           yFract="0.29206151"
                           z3="8.85548"
                           zFract="0.34628871"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98637"
                           xFract="0.77728603"
                           y3="4.09464"
                           yFract="0.79206189"
                           z3="9.03792"
                           zFract="0.34628905"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2862"
                           xFract="0.29385802"
                           y3="2.6707"
                           yFract="0.51661677"
                           z3="10.53838"
                           zFract="0.41899453"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80131"
                           xFract="0.29385922"
                           y3="0.0859"
                           yFract="0.01661639"
                           z3="10.35595"
                           zFract="0.4189946"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26716"
                           xFract="0.79385869"
                           y3="2.6707"
                           yFract="0.51661677"
                           z3="10.72081"
                           zFract="0.41899444"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78226"
                           xFract="0.79385821"
                           y3="0.0859"
                           yFract="0.01661639"
                           z3="10.53838"
                           zFract="0.41899453"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97127"
                           xFract="0.11125352"
                           y3="0.53612"
                           yFract="0.10370636"
                           z3="10.59299"
                           zFract="0.43011675"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45617"
                           xFract="0.11125399"
                           y3="3.12092"
                           yFract="0.60370675"
                           z3="10.77542"
                           zFract="0.43011666"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95223"
                           xFract="0.61125419"
                           y3="0.53612"
                           yFract="0.10370636"
                           z3="10.77542"
                           zFract="0.43011666"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43712"
                           xFract="0.61125299"
                           y3="3.12092"
                           yFract="0.60370675"
                           z3="10.95785"
                           zFract="0.43011659"/>
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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"/>
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                     <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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                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <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"/>
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                           id="a9"
                           x3="1.23772"
                           xFract="0.14146982"
                           y3="0.68635"
                           yFract="0.13276666"
                           z3="6.18075"
                           zFract="0.24874149"/>
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                           id="a10"
                           x3="2.72261"
                           xFract="0.14146862"
                           y3="3.27115"
                           yFract="0.63276705"
                           z3="6.36318"
                           zFract="0.24874142"/>
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                           x3="4.21867"
                           xFract="0.64146882"
                           y3="0.68635"
                           yFract="0.13276666"
                           z3="6.36318"
                           zFract="0.24874143"/>
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                           x3="5.70357"
                           xFract="0.64146929"
                           y3="3.27115"
                           yFract="0.63276705"
                           z3="6.54561"
                           zFract="0.24874133"/>
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                           x3="2.52101"
                           xFract="0.27740922"
                           y3="1.50942"
                           yFract="0.29198026"
                           z3="8.67491"
                           zFract="0.34636427"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00591"
                           xFract="0.2774097"
                           y3="4.09422"
                           yFract="0.79198065"
                           z3="8.85734"
                           zFract="0.34636417"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50197"
                           xFract="0.77740989"
                           y3="1.50942"
                           yFract="0.29198026"
                           z3="8.85734"
                           zFract="0.34636418"/>
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                           id="a16"
                           x3="6.98686"
                           xFract="0.77740869"
                           y3="4.09422"
                           yFract="0.79198065"
                           z3="9.03977"
                           zFract="0.34636411"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28667"
                           xFract="0.29396961"
                           y3="2.67036"
                           yFract="0.516551"
                           z3="10.53849"
                           zFract="0.41899834"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80177"
                           xFract="0.29396913"
                           y3="0.08556"
                           yFract="0.01655062"
                           z3="10.35606"
                           zFract="0.41899844"/>
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                           id="a19"
                           x3="6.26762"
                           xFract="0.79396861"
                           y3="2.67036"
                           yFract="0.516551"
                           z3="10.72092"
                           zFract="0.41899828"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78273"
                           xFract="0.79396981"
                           y3="0.08556"
                           yFract="0.01655062"
                           z3="10.53849"
                           zFract="0.41899835"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97024"
                           xFract="0.11099981"
                           y3="0.53696"
                           yFract="0.10386885"
                           z3="10.59153"
                           zFract="0.43005839"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45513"
                           xFract="0.11099861"
                           y3="3.12176"
                           yFract="0.60386924"
                           z3="10.77396"
                           zFract="0.43005832"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95119"
                           xFract="0.61099881"
                           y3="0.53696"
                           yFract="0.10386885"
                           z3="10.77396"
                           zFract="0.43005832"/>
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                           id="a24"
                           x3="5.43609"
                           xFract="0.61099928"
                           y3="3.12176"
                           yFract="0.60386924"
                           z3="10.9564"
                           zFract="0.43005864"/>
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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.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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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"/>
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                           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"/>
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                           id="a9"
                           x3="1.23766"
                           xFract="0.14145205"
                           y3="0.68643"
                           yFract="0.13278214"
                           z3="6.18062"
                           zFract="0.24873621"/>
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                           id="a10"
                           x3="2.72256"
                           xFract="0.14145253"
                           y3="3.27123"
                           yFract="0.63278252"
                           z3="6.36305"
                           zFract="0.24873611"/>
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                           x3="4.21862"
                           xFract="0.64145272"
                           y3="0.68643"
                           yFract="0.13278214"
                           z3="6.36305"
                           zFract="0.24873612"/>
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                           id="a12"
                           x3="5.70351"
                           xFract="0.64145152"
                           y3="3.27123"
                           yFract="0.63278252"
                           z3="6.54548"
                           zFract="0.24873605"/>
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                           id="a13"
                           x3="2.52116"
                           xFract="0.2774469"
                           y3="1.50929"
                           yFract="0.29195512"
                           z3="8.67549"
                           zFract="0.34638781"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00606"
                           xFract="0.27744738"
                           y3="4.09409"
                           yFract="0.7919555"
                           z3="8.85792"
                           zFract="0.34638771"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50212"
                           xFract="0.77744758"
                           y3="1.50929"
                           yFract="0.29195512"
                           z3="8.85792"
                           zFract="0.34638771"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98702"
                           xFract="0.77744805"
                           y3="4.09409"
                           yFract="0.7919555"
                           z3="9.04036"
                           zFract="0.34638803"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28681"
                           xFract="0.29400369"
                           y3="2.67025"
                           yFract="0.51652972"
                           z3="10.53852"
                           zFract="0.41899938"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80192"
                           xFract="0.29400393"
                           y3="0.08546"
                           yFract="0.01653127"
                           z3="10.35609"
                           zFract="0.41899944"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26777"
                           xFract="0.79400437"
                           y3="2.67025"
                           yFract="0.51652972"
                           z3="10.72095"
                           zFract="0.41899929"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78287"
                           xFract="0.79400292"
                           y3="0.08546"
                           yFract="0.01653127"
                           z3="10.53852"
                           zFract="0.41899937"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96991"
                           xFract="0.11091844"
                           y3="0.53723"
                           yFract="0.10392108"
                           z3="10.59107"
                           zFract="0.43004001"/>
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                           id="a22"
                           x3="2.45481"
                           xFract="0.11091989"
                           y3="3.12202"
                           yFract="0.60391953"
                           z3="10.77351"
                           zFract="0.43004034"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95087"
                           xFract="0.61091912"
                           y3="0.53723"
                           yFract="0.10392108"
                           z3="10.77351"
                           zFract="0.43004033"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43577"
                           xFract="0.61092056"
                           y3="3.12202"
                           yFract="0.60391953"
                           z3="10.95594"
                           zFract="0.43004025"/>
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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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                     <bond atomRefs2="a15 a20" 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.17">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           xFract="0.33604611"
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                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           x3="7.46732"
                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
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                           xFract="0.48604463"
                           y3="2.51266"
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                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
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                           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"
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                           xFract="0.14139706"
                           y3="0.68667"
                           yFract="0.13282856"
                           z3="6.1806"
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                     <atom elementType="Ag"
                           id="a10"
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                           xFract="0.14139586"
                           y3="3.27147"
                           yFract="0.63282895"
                           z3="6.36304"
                           zFract="0.24873586"/>
                     <atom elementType="Ag"
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                           x3="4.21842"
                           xFract="0.64139605"
                           y3="0.68667"
                           yFract="0.13282856"
                           z3="6.36304"
                           zFract="0.24873586"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70332"
                           xFract="0.64139653"
                           y3="3.27147"
                           yFract="0.63282895"
                           z3="6.54547"
                           zFract="0.24873577"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52167"
                           xFract="0.27757292"
                           y3="1.50887"
                           yFract="0.29187387"
                           z3="8.6774"
                           zFract="0.34646527"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00657"
                           xFract="0.2775734"
                           y3="4.09367"
                           yFract="0.79187426"
                           z3="8.85983"
                           zFract="0.34646518"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50263"
                           xFract="0.77757359"
                           y3="1.50887"
                           yFract="0.29187387"
                           z3="8.85983"
                           zFract="0.34646518"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98752"
                           xFract="0.77757239"
                           y3="4.09367"
                           yFract="0.79187426"
                           z3="9.04227"
                           zFract="0.34646552"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2861"
                           xFract="0.29385955"
                           y3="2.67051"
                           yFract="0.51658002"
                           z3="10.53773"
                           zFract="0.41896847"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.8012"
                           xFract="0.29385907"
                           y3="0.08571"
                           yFract="0.01657963"
                           z3="10.3553"
                           zFract="0.41896856"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26706"
                           xFract="0.79386022"
                           y3="2.67051"
                           yFract="0.51658002"
                           z3="10.72016"
                           zFract="0.41896837"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78216"
                           xFract="0.79385975"
                           y3="0.08571"
                           yFract="0.01657963"
                           z3="10.53773"
                           zFract="0.41896847"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9700"
                           xFract="0.11091234"
                           y3="0.53745"
                           yFract="0.10396364"
                           z3="10.59003"
                           zFract="0.42999692"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4549"
                           xFract="0.11091282"
                           y3="3.12225"
                           yFract="0.60396402"
                           z3="10.77246"
                           zFract="0.42999683"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95096"
                           xFract="0.61091301"
                           y3="0.53745"
                           yFract="0.10396364"
                           z3="10.77246"
                           zFract="0.42999683"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43586"
                           xFract="0.61091349"
                           y3="3.12225"
                           yFract="0.60396402"
                           z3="10.9549"
                           zFract="0.42999714"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.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="1.2373"
                           xFract="0.14134831"
                           y3="0.68688"
                           yFract="0.13286918"
                           z3="6.18059"
                           zFract="0.24873523"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72219"
                           xFract="0.14134711"
                           y3="3.27168"
                           yFract="0.63286957"
                           z3="6.36302"
                           zFract="0.24873516"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21825"
                           xFract="0.6413473"
                           y3="0.68688"
                           yFract="0.13286918"
                           z3="6.36302"
                           zFract="0.24873516"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70315"
                           xFract="0.64134778"
                           y3="3.27168"
                           yFract="0.63286957"
                           z3="6.54545"
                           zFract="0.24873507"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52211"
                           xFract="0.27768237"
                           y3="1.5085"
                           yFract="0.2918023"
                           z3="8.67908"
                           zFract="0.34653343"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00701"
                           xFract="0.27768285"
                           y3="4.0933"
                           yFract="0.79180269"
                           z3="8.86151"
                           zFract="0.34653333"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50307"
                           xFract="0.77768304"
                           y3="1.5085"
                           yFract="0.2918023"
                           z3="8.86151"
                           zFract="0.34653334"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98797"
                           xFract="0.77768352"
                           y3="4.0933"
                           yFract="0.79180269"
                           z3="9.04394"
                           zFract="0.34653324"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28547"
                           xFract="0.29373268"
                           y3="2.67073"
                           yFract="0.51662258"
                           z3="10.53704"
                           zFract="0.4189415"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80058"
                           xFract="0.29373388"
                           y3="0.08593"
                           yFract="0.01662219"
                           z3="10.35461"
                           zFract="0.41894157"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26643"
                           xFract="0.79373335"
                           y3="2.67073"
                           yFract="0.51662258"
                           z3="10.71947"
                           zFract="0.41894141"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78153"
                           xFract="0.79373288"
                           y3="0.08593"
                           yFract="0.01662219"
                           z3="10.53704"
                           zFract="0.4189415"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97008"
                           xFract="0.11090649"
                           y3="0.53765"
                           yFract="0.10400232"
                           z3="10.58912"
                           zFract="0.42995921"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45498"
                           xFract="0.11090697"
                           y3="3.12245"
                           yFract="0.60400271"
                           z3="10.77155"
                           zFract="0.42995911"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95104"
                           xFract="0.61090716"
                           y3="0.53765"
                           yFract="0.10400232"
                           z3="10.77155"
                           zFract="0.42995911"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43594"
                           xFract="0.61090764"
                           y3="3.12245"
                           yFract="0.60400271"
                           z3="10.95398"
                           zFract="0.42995902"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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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="1.23728"
                           xFract="0.14134302"
                           y3="0.6869"
                           yFract="0.13287305"
                           z3="6.18059"
                           zFract="0.24873525"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72217"
                           xFract="0.14134183"
                           y3="3.2717"
                           yFract="0.63287344"
                           z3="6.36302"
                           zFract="0.24873518"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21823"
                           xFract="0.64134202"
                           y3="0.6869"
                           yFract="0.13287305"
                           z3="6.36302"
                           zFract="0.24873518"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70313"
                           xFract="0.6413425"
                           y3="3.2717"
                           yFract="0.63287344"
                           z3="6.54545"
                           zFract="0.24873509"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52216"
                           xFract="0.27769558"
                           y3="1.50845"
                           yFract="0.29179263"
                           z3="8.67927"
                           zFract="0.34654115"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00706"
                           xFract="0.27769605"
                           y3="4.09325"
                           yFract="0.79179301"
                           z3="8.8617"
                           zFract="0.34654105"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50312"
                           xFract="0.77769625"
                           y3="1.50845"
                           yFract="0.29179263"
                           z3="8.8617"
                           zFract="0.34654106"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98802"
                           xFract="0.77769673"
                           y3="4.09325"
                           yFract="0.79179301"
                           z3="9.04413"
                           zFract="0.34654096"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2854"
                           xFract="0.29371901"
                           y3="2.67075"
                           yFract="0.51662644"
                           z3="10.53696"
                           zFract="0.41893837"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80051"
                           xFract="0.29372021"
                           y3="0.08595"
                           yFract="0.01662606"
                           z3="10.35453"
                           zFract="0.41893844"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26636"
                           xFract="0.79371969"
                           y3="2.67075"
                           yFract="0.51662644"
                           z3="10.71939"
                           zFract="0.41893828"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78146"
                           xFract="0.79371921"
                           y3="0.08595"
                           yFract="0.01662606"
                           z3="10.53696"
                           zFract="0.41893837"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.97009"
                           xFract="0.11090528"
                           y3="0.53768"
                           yFract="0.10400813"
                           z3="10.58901"
                           zFract="0.42995464"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45499"
                           xFract="0.11090575"
                           y3="3.12248"
                           yFract="0.60400851"
                           z3="10.77144"
                           zFract="0.42995454"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95105"
                           xFract="0.61090595"
                           y3="0.53768"
                           yFract="0.10400813"
                           z3="10.77144"
                           zFract="0.42995455"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43594"
                           xFract="0.61090475"
                           y3="3.12248"
                           yFract="0.60400851"
                           z3="10.95388"
                           zFract="0.42995489"/>
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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.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="1.23707"
                           xFract="0.14129431"
                           y3="0.68704"
                           yFract="0.13290013"
                           z3="6.18106"
                           zFract="0.2487548"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72197"
                           xFract="0.14129479"
                           y3="3.27184"
                           yFract="0.63290052"
                           z3="6.36349"
                           zFract="0.24875471"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21803"
                           xFract="0.64129498"
                           y3="0.68704"
                           yFract="0.13290013"
                           z3="6.36349"
                           zFract="0.24875471"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70292"
                           xFract="0.64129378"
                           y3="3.27184"
                           yFract="0.63290052"
                           z3="6.54592"
                           zFract="0.24875464"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52258"
                           xFract="0.27779493"
                           y3="1.50815"
                           yFract="0.2917346"
                           z3="8.67982"
                           zFract="0.34656303"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00747"
                           xFract="0.27779373"
                           y3="4.09295"
                           yFract="0.79173498"
                           z3="8.86225"
                           zFract="0.34656296"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50353"
                           xFract="0.77779392"
                           y3="1.50815"
                           yFract="0.2917346"
                           z3="8.86225"
                           zFract="0.34656296"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98843"
                           xFract="0.7777944"
                           y3="4.09295"
                           yFract="0.79173498"
                           z3="9.04468"
                           zFract="0.34656287"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28543"
                           xFract="0.29371634"
                           y3="2.67083"
                           yFract="0.51664192"
                           z3="10.53613"
                           zFract="0.41890423"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80053"
                           xFract="0.29371586"
                           y3="0.08603"
                           yFract="0.01664153"
                           z3="10.3537"
                           zFract="0.41890432"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26639"
                           xFract="0.79371701"
                           y3="2.67083"
                           yFract="0.51664192"
                           z3="10.71856"
                           zFract="0.41890414"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78149"
                           xFract="0.79371653"
                           y3="0.08603"
                           yFract="0.01664153"
                           z3="10.53613"
                           zFract="0.41890423"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96963"
                           xFract="0.11079054"
                           y3="0.53807"
                           yFract="0.10408357"
                           z3="10.58895"
                           zFract="0.42995277"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45452"
                           xFract="0.11078934"
                           y3="3.12287"
                           yFract="0.60408396"
                           z3="10.77138"
                           zFract="0.4299527"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95058"
                           xFract="0.61078953"
                           y3="0.53807"
                           yFract="0.10408357"
                           z3="10.77138"
                           zFract="0.4299527"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43548"
                           xFract="0.61079001"
                           y3="3.12287"
                           yFract="0.60408396"
                           z3="10.95381"
                           zFract="0.42995261"/>
                  </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.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>
                  </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="1.2370"
                           xFract="0.14127775"
                           y3="0.68709"
                           yFract="0.13290981"
                           z3="6.18122"
                           zFract="0.24876145"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7219"
                           xFract="0.14127919"
                           y3="3.27188"
                           yFract="0.63290826"
                           z3="6.36365"
                           zFract="0.24876137"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21796"
                           xFract="0.64127842"
                           y3="0.68709"
                           yFract="0.13290981"
                           z3="6.36365"
                           zFract="0.24876136"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70285"
                           xFract="0.64127819"
                           y3="3.27188"
                           yFract="0.63290826"
                           z3="6.54608"
                           zFract="0.2487613"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52272"
                           xFract="0.27782805"
                           y3="1.50805"
                           yFract="0.29171525"
                           z3="8.6800"
                           zFract="0.34657019"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00761"
                           xFract="0.27782781"
                           y3="4.09284"
                           yFract="0.7917137"
                           z3="8.86244"
                           zFract="0.34657054"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50367"
                           xFract="0.77782704"
                           y3="1.50805"
                           yFract="0.29171525"
                           z3="8.86244"
                           zFract="0.34657053"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98857"
                           xFract="0.77782848"
                           y3="4.09284"
                           yFract="0.7917137"
                           z3="9.04487"
                           zFract="0.34657045"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28544"
                           xFract="0.29371512"
                           y3="2.67086"
                           yFract="0.51664772"
                           z3="10.53584"
                           zFract="0.4188923"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.80054"
                           xFract="0.29371465"
                           y3="0.08606"
                           yFract="0.01664734"
                           z3="10.35341"
                           zFract="0.41889239"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2664"
                           xFract="0.7937158"
                           y3="2.67086"
                           yFract="0.51664772"
                           z3="10.71827"
                           zFract="0.4188922"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7815"
                           xFract="0.79371532"
                           y3="0.08606"
                           yFract="0.01664734"
                           z3="10.53584"
                           zFract="0.4188923"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96947"
                           xFract="0.11075118"
                           y3="0.5382"
                           yFract="0.10410872"
                           z3="10.58893"
                           zFract="0.42995216"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45437"
                           xFract="0.11075165"
                           y3="3.1230"
                           yFract="0.6041091"
                           z3="10.77136"
                           zFract="0.42995207"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95043"
                           xFract="0.61075185"
                           y3="0.5382"
                           yFract="0.10410872"
                           z3="10.77136"
                           zFract="0.42995207"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43532"
                           xFract="0.61075065"
                           y3="3.1230"
                           yFract="0.6041091"
                           z3="10.95379"
                           zFract="0.429952"/>
                  </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>
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               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           xFract="0.33604611"
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                           yFract="0.83604599"
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                           yFract="0.83604599"
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                           xFract="0.48604463"
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           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"/>
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                           x3="1.23688"
                           xFract="0.14125088"
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                           yFract="0.13292335"
                           z3="6.18156"
                           zFract="0.24877556"/>
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                           x3="2.72178"
                           xFract="0.14125232"
                           y3="3.27195"
                           yFract="0.6329218"
                           z3="6.36399"
                           zFract="0.24877548"/>
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                           xFract="0.64125155"
                           y3="0.68716"
                           yFract="0.13292335"
                           z3="6.36399"
                           zFract="0.24877546"/>
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                           xFract="0.64125131"
                           y3="3.27195"
                           yFract="0.6329218"
                           z3="6.54642"
                           zFract="0.24877541"/>
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                           x3="2.52298"
                           xFract="0.27789093"
                           y3="1.50785"
                           yFract="0.29167656"
                           z3="8.68017"
                           zFract="0.34657678"/>
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                           id="a14"
                           x3="4.00788"
                           xFract="0.27789237"
                           y3="4.09264"
                           yFract="0.79167502"
                           z3="8.86261"
                           zFract="0.34657711"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50394"
                           xFract="0.7778916"
                           y3="1.50785"
                           yFract="0.29167656"
                           z3="8.86261"
                           zFract="0.3465771"/>
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                           id="a16"
                           x3="6.98883"
                           xFract="0.77789137"
                           y3="4.09264"
                           yFract="0.79167502"
                           z3="9.04504"
                           zFract="0.34657704"/>
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                           id="a17"
                           x3="3.28523"
                           xFract="0.29365967"
                           y3="2.67107"
                           yFract="0.51668834"
                           z3="10.53546"
                           zFract="0.41887697"/>
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                           id="a18"
                           x3="1.80034"
                           xFract="0.29366087"
                           y3="0.08627"
                           yFract="0.01668796"
                           z3="10.35303"
                           zFract="0.41887704"/>
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                           id="a19"
                           x3="6.26619"
                           xFract="0.79366034"
                           y3="2.67107"
                           yFract="0.51668834"
                           z3="10.71789"
                           zFract="0.41887688"/>
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                           id="a20"
                           x3="4.78129"
                           xFract="0.79365986"
                           y3="0.08627"
                           yFract="0.01668796"
                           z3="10.53546"
                           zFract="0.41887698"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96937"
                           xFract="0.11072091"
                           y3="0.53834"
                           yFract="0.1041358"
                           z3="10.58889"
                           zFract="0.42995058"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45427"
                           xFract="0.11072236"
                           y3="3.12313"
                           yFract="0.60413425"
                           z3="10.77132"
                           zFract="0.4299505"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95033"
                           xFract="0.61072158"
                           y3="0.53834"
                           yFract="0.1041358"
                           z3="10.77132"
                           zFract="0.42995048"/>
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                           x3="5.43523"
                           xFract="0.61072303"
                           y3="3.12313"
                           yFract="0.60413425"
                           z3="10.95375"
                           zFract="0.4299504"/>
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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.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>
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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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                           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"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
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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="1.23652"
                           xFract="0.14117122"
                           y3="0.68736"
                           yFract="0.13296203"
                           z3="6.18257"
                           zFract="0.24881748"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72142"
                           xFract="0.1411717"
                           y3="3.27216"
                           yFract="0.63296242"
                           z3="6.3650"
                           zFract="0.24881739"/>
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                           id="a11"
                           x3="4.21748"
                           xFract="0.64117189"
                           y3="0.68736"
                           yFract="0.13296203"
                           z3="6.3650"
                           zFract="0.24881739"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70237"
                           xFract="0.6411707"
                           y3="3.27216"
                           yFract="0.63296242"
                           z3="6.54743"
                           zFract="0.24881732"/>
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                           id="a13"
                           x3="2.52377"
                           xFract="0.27808222"
                           y3="1.50724"
                           yFract="0.29155857"
                           z3="8.68068"
                           zFract="0.34659655"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00867"
                           xFract="0.27808269"
                           y3="4.09204"
                           yFract="0.79155895"
                           z3="8.86311"
                           zFract="0.34659645"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50473"
                           xFract="0.77808289"
                           y3="1.50724"
                           yFract="0.29155857"
                           z3="8.86311"
                           zFract="0.34659646"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98962"
                           xFract="0.77808169"
                           y3="4.09204"
                           yFract="0.79155895"
                           z3="9.04555"
                           zFract="0.3465968"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28461"
                           xFract="0.29349593"
                           y3="2.67169"
                           yFract="0.51680828"
                           z3="10.53432"
                           zFract="0.41883099"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79971"
                           xFract="0.29349449"
                           y3="0.0869"
                           yFract="0.01680982"
                           z3="10.35189"
                           zFract="0.41883107"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26556"
                           xFract="0.79349492"
                           y3="2.67169"
                           yFract="0.51680828"
                           z3="10.71675"
                           zFract="0.41883093"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78067"
                           xFract="0.79349516"
                           y3="0.0869"
                           yFract="0.01680982"
                           z3="10.53432"
                           zFract="0.41883098"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96909"
                           xFract="0.11063637"
                           y3="0.53873"
                           yFract="0.10421124"
                           z3="10.58878"
                           zFract="0.42994621"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45398"
                           xFract="0.11063517"
                           y3="3.12353"
                           yFract="0.60421163"
                           z3="10.77121"
                           zFract="0.42994614"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95004"
                           xFract="0.61063536"
                           y3="0.53873"
                           yFract="0.10421124"
                           z3="10.77121"
                           zFract="0.42994614"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43494"
                           xFract="0.61063584"
                           y3="3.12353"
                           yFract="0.60421163"
                           z3="10.95365"
                           zFract="0.42994646"/>
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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"/>
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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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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="4.48636"
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                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <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="1.23653"
                           xFract="0.14117386"
                           y3="0.68735"
                           yFract="0.1329601"
                           z3="6.18263"
                           zFract="0.24881993"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72142"
                           xFract="0.14117363"
                           y3="3.27214"
                           yFract="0.63295855"
                           z3="6.36507"
                           zFract="0.24882028"/>
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                           id="a11"
                           x3="4.21748"
                           xFract="0.64117286"
                           y3="0.68735"
                           yFract="0.1329601"
                           z3="6.36507"
                           zFract="0.24882027"/>
                     <atom elementType="Ag"
                           id="a12"
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                           xFract="0.6411743"
                           y3="3.27214"
                           yFract="0.63295855"
                           z3="6.5475"
                           zFract="0.24882019"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52382"
                           xFract="0.27809542"
                           y3="1.50719"
                           yFract="0.29154889"
                           z3="8.68044"
                           zFract="0.34658668"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00872"
                           xFract="0.27809686"
                           y3="4.09198"
                           yFract="0.79154735"
                           z3="8.86287"
                           zFract="0.3465866"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50478"
                           xFract="0.77809609"
                           y3="1.50719"
                           yFract="0.29154889"
                           z3="8.86287"
                           zFract="0.34658659"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98967"
                           xFract="0.77809586"
                           y3="4.09198"
                           yFract="0.79154735"
                           z3="9.04531"
                           zFract="0.34658694"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2844"
                           xFract="0.29343855"
                           y3="2.67192"
                           yFract="0.51685277"
                           z3="10.53454"
                           zFract="0.41884019"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7995"
                           xFract="0.29343807"
                           y3="0.08712"
                           yFract="0.01685238"
                           z3="10.35211"
                           zFract="0.41884028"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26536"
                           xFract="0.79343922"
                           y3="2.67192"
                           yFract="0.51685277"
                           z3="10.71697"
                           zFract="0.41884009"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78046"
                           xFract="0.79343874"
                           y3="0.08712"
                           yFract="0.01685238"
                           z3="10.53454"
                           zFract="0.41884019"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96921"
                           xFract="0.11066228"
                           y3="0.53867"
                           yFract="0.10419963"
                           z3="10.58877"
                           zFract="0.42994559"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45411"
                           xFract="0.11066276"
                           y3="3.12347"
                           yFract="0.60420002"
                           z3="10.7712"
                           zFract="0.42994549"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95017"
                           xFract="0.61066295"
                           y3="0.53867"
                           yFract="0.10419963"
                           z3="10.7712"
                           zFract="0.4299455"/>
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                           id="a24"
                           x3="5.43506"
                           xFract="0.61066175"
                           y3="3.12347"
                           yFract="0.60420002"
                           z3="10.95363"
                           zFract="0.42994543"/>
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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.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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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="1.23653"
                           xFract="0.14117483"
                           y3="0.68734"
                           yFract="0.13295817"
                           z3="6.18264"
                           zFract="0.24882035"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72142"
                           xFract="0.14117363"
                           y3="3.27214"
                           yFract="0.63295855"
                           z3="6.36507"
                           zFract="0.24882028"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21748"
                           xFract="0.64117382"
                           y3="0.68734"
                           yFract="0.13295817"
                           z3="6.36507"
                           zFract="0.24882028"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70238"
                           xFract="0.6411743"
                           y3="3.27214"
                           yFract="0.63295855"
                           z3="6.5475"
                           zFract="0.24882019"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52382"
                           xFract="0.27809638"
                           y3="1.50718"
                           yFract="0.29154696"
                           z3="8.68042"
                           zFract="0.34658588"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00872"
                           xFract="0.27809686"
                           y3="4.09198"
                           yFract="0.79154735"
                           z3="8.86285"
                           zFract="0.34658578"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50478"
                           xFract="0.77809706"
                           y3="1.50718"
                           yFract="0.29154696"
                           z3="8.86285"
                           zFract="0.34658578"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98968"
                           xFract="0.77809753"
                           y3="4.09198"
                           yFract="0.79154735"
                           z3="9.04528"
                           zFract="0.34658569"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28438"
                           xFract="0.29343326"
                           y3="2.67194"
                           yFract="0.51685664"
                           z3="10.53456"
                           zFract="0.41884102"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79949"
                           xFract="0.29343446"
                           y3="0.08714"
                           yFract="0.01685625"
                           z3="10.35213"
                           zFract="0.41884109"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26534"
                           xFract="0.79343393"
                           y3="2.67194"
                           yFract="0.51685664"
                           z3="10.71699"
                           zFract="0.41884093"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78044"
                           xFract="0.79343346"
                           y3="0.08714"
                           yFract="0.01685625"
                           z3="10.53456"
                           zFract="0.41884103"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96922"
                           xFract="0.11066492"
                           y3="0.53866"
                           yFract="0.1041977"
                           z3="10.58877"
                           zFract="0.42994558"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45412"
                           xFract="0.1106654"
                           y3="3.12346"
                           yFract="0.60419808"
                           z3="10.7712"
                           zFract="0.42994548"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95018"
                           xFract="0.61066559"
                           y3="0.53866"
                           yFract="0.1041977"
                           z3="10.7712"
                           zFract="0.42994549"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43507"
                           xFract="0.61066439"
                           y3="3.12346"
                           yFract="0.60419808"
                           z3="10.95363"
                           zFract="0.42994542"/>
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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="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           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"
                           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="1.23653"
                           xFract="0.14117483"
                           y3="0.68734"
                           yFract="0.13295817"
                           z3="6.18265"
                           zFract="0.24882076"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72143"
                           xFract="0.14117531"
                           y3="3.27214"
                           yFract="0.63295855"
                           z3="6.36508"
                           zFract="0.24882066"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21749"
                           xFract="0.6411755"
                           y3="0.68734"
                           yFract="0.13295817"
                           z3="6.36508"
                           zFract="0.24882067"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70238"
                           xFract="0.6411743"
                           y3="3.27214"
                           yFract="0.63295855"
                           z3="6.54752"
                           zFract="0.24882101"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52383"
                           xFract="0.27809902"
                           y3="1.50717"
                           yFract="0.29154503"
                           z3="8.68038"
                           zFract="0.34658423"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00873"
                           xFract="0.2780995"
                           y3="4.09197"
                           yFract="0.79154541"
                           z3="8.86281"
                           zFract="0.34658413"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50479"
                           xFract="0.7780997"
                           y3="1.50717"
                           yFract="0.29154503"
                           z3="8.86281"
                           zFract="0.34658414"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98969"
                           xFract="0.77810017"
                           y3="4.09197"
                           yFract="0.79154541"
                           z3="9.04524"
                           zFract="0.34658404"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28435"
                           xFract="0.29342438"
                           y3="2.67198"
                           yFract="0.51686437"
                           z3="10.5346"
                           zFract="0.41884268"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79945"
                           xFract="0.2934239"
                           y3="0.08718"
                           yFract="0.01686399"
                           z3="10.35217"
                           zFract="0.41884277"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2653"
                           xFract="0.79342337"
                           y3="2.67198"
                           yFract="0.51686437"
                           z3="10.71703"
                           zFract="0.41884261"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78041"
                           xFract="0.79342457"
                           y3="0.08718"
                           yFract="0.01686399"
                           z3="10.5346"
                           zFract="0.41884268"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96924"
                           xFract="0.11066924"
                           y3="0.53865"
                           yFract="0.10419576"
                           z3="10.58876"
                           zFract="0.42994513"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45414"
                           xFract="0.11066972"
                           y3="3.12345"
                           yFract="0.60419615"
                           z3="10.77119"
                           zFract="0.42994504"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9502"
                           xFract="0.61066991"
                           y3="0.53865"
                           yFract="0.10419576"
                           z3="10.77119"
                           zFract="0.42994504"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43509"
                           xFract="0.61066871"
                           y3="3.12345"
                           yFract="0.60419615"
                           z3="10.95363"
                           zFract="0.42994538"/>
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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.27">
                  <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="1.23653"
                           xFract="0.14117483"
                           y3="0.68734"
                           yFract="0.13295817"
                           z3="6.18268"
                           zFract="0.24882199"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72143"
                           xFract="0.14117627"
                           y3="3.27213"
                           yFract="0.63295662"
                           z3="6.36511"
                           zFract="0.24882191"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21749"
                           xFract="0.6411755"
                           y3="0.68734"
                           yFract="0.13295817"
                           z3="6.36511"
                           zFract="0.24882189"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70238"
                           xFract="0.64117526"
                           y3="3.27213"
                           yFract="0.63295662"
                           z3="6.54754"
                           zFract="0.24882184"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52385"
                           xFract="0.27810431"
                           y3="1.50715"
                           yFract="0.29154116"
                           z3="8.6803"
                           zFract="0.34658093"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00875"
                           xFract="0.27810478"
                           y3="4.09195"
                           yFract="0.79154154"
                           z3="8.86273"
                           zFract="0.34658084"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50481"
                           xFract="0.77810498"
                           y3="1.50715"
                           yFract="0.29154116"
                           z3="8.86273"
                           zFract="0.34658084"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.9897"
                           xFract="0.77810378"
                           y3="4.09195"
                           yFract="0.79154154"
                           z3="9.04516"
                           zFract="0.34658077"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28428"
                           xFract="0.29340589"
                           y3="2.67205"
                           yFract="0.51687791"
                           z3="10.53467"
                           zFract="0.41884562"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79938"
                           xFract="0.29340541"
                           y3="0.08725"
                           yFract="0.01687753"
                           z3="10.35224"
                           zFract="0.41884571"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26523"
                           xFract="0.79340488"
                           y3="2.67205"
                           yFract="0.51687791"
                           z3="10.71711"
                           zFract="0.41884596"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78034"
                           xFract="0.79340608"
                           y3="0.08725"
                           yFract="0.01687753"
                           z3="10.53467"
                           zFract="0.41884562"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96928"
                           xFract="0.11067787"
                           y3="0.53863"
                           yFract="0.10419189"
                           z3="10.58876"
                           zFract="0.42994506"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45418"
                           xFract="0.11067835"
                           y3="3.12343"
                           yFract="0.60419228"
                           z3="10.77119"
                           zFract="0.42994497"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.95024"
                           xFract="0.61067855"
                           y3="0.53863"
                           yFract="0.10419189"
                           z3="10.77119"
                           zFract="0.42994497"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43514"
                           xFract="0.61067902"
                           y3="3.12343"
                           yFract="0.60419228"
                           z3="10.95362"
                           zFract="0.42994488"/>
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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.28">
                  <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="1.23653"
                           xFract="0.14117579"
                           y3="0.68733"
                           yFract="0.13295623"
                           z3="6.1828"
                           zFract="0.24882691"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72143"
                           xFract="0.14117627"
                           y3="3.27213"
                           yFract="0.63295662"
                           z3="6.36523"
                           zFract="0.24882682"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21749"
                           xFract="0.64117646"
                           y3="0.68733"
                           yFract="0.13295623"
                           z3="6.36523"
                           zFract="0.24882682"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70239"
                           xFract="0.64117694"
                           y3="3.27213"
                           yFract="0.63295662"
                           z3="6.54766"
                           zFract="0.24882672"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52394"
                           xFract="0.27812711"
                           y3="1.50707"
                           yFract="0.29152568"
                           z3="8.6800"
                           zFract="0.34656855"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00884"
                           xFract="0.27812759"
                           y3="4.09187"
                           yFract="0.79152607"
                           z3="8.86243"
                           zFract="0.34656846"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5049"
                           xFract="0.77812778"
                           y3="1.50707"
                           yFract="0.29152568"
                           z3="8.86243"
                           zFract="0.34656846"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.98979"
                           xFract="0.77812658"
                           y3="4.09187"
                           yFract="0.79152607"
                           z3="9.04486"
                           zFract="0.34656839"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28427"
                           xFract="0.29339458"
                           y3="2.67215"
                           yFract="0.51689726"
                           z3="10.53477"
                           zFract="0.41884959"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79938"
                           xFract="0.29339578"
                           y3="0.08735"
                           yFract="0.01689687"
                           z3="10.35234"
                           zFract="0.41884966"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26523"
                           xFract="0.79339525"
                           y3="2.67215"
                           yFract="0.51689726"
                           z3="10.7172"
                           zFract="0.41884949"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78033"
                           xFract="0.79339477"
                           y3="0.08735"
                           yFract="0.01689687"
                           z3="10.53477"
                           zFract="0.41884959"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96915"
                           xFract="0.11064643"
                           y3="0.53873"
                           yFract="0.10421124"
                           z3="10.58884"
                           zFract="0.42994852"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45404"
                           xFract="0.11064523"
                           y3="3.12353"
                           yFract="0.60421163"
                           z3="10.77127"
                           zFract="0.42994845"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9501"
                           xFract="0.61064543"
                           y3="0.53873"
                           yFract="0.10421124"
                           z3="10.77127"
                           zFract="0.42994845"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4350"
                           xFract="0.61064591"
                           y3="3.12353"
                           yFract="0.60421163"
                           z3="10.95371"
                           zFract="0.42994876"/>
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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.29">
                  <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="1.23655"
                           xFract="0.14118204"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.18317"
                           zFract="0.24884204"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72144"
                           xFract="0.14118084"
                           y3="3.2721"
                           yFract="0.63295081"
                           z3="6.36561"
                           zFract="0.24884238"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.2175"
                           xFract="0.64118103"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.36561"
                           zFract="0.24884238"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.7024"
                           xFract="0.64118151"
                           y3="3.2721"
                           yFract="0.63295081"
                           z3="6.54804"
                           zFract="0.24884229"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52421"
                           xFract="0.27819552"
                           y3="1.50683"
                           yFract="0.29147926"
                           z3="8.67911"
                           zFract="0.34653182"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00911"
                           xFract="0.278196"
                           y3="4.09163"
                           yFract="0.79147964"
                           z3="8.86154"
                           zFract="0.34653172"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50517"
                           xFract="0.7781962"
                           y3="1.50683"
                           yFract="0.29147926"
                           z3="8.86154"
                           zFract="0.34653173"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99007"
                           xFract="0.77819667"
                           y3="4.09163"
                           yFract="0.79147964"
                           z3="9.04397"
                           zFract="0.34653163"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28427"
                           xFract="0.29336567"
                           y3="2.67245"
                           yFract="0.51695529"
                           z3="10.53506"
                           zFract="0.41886101"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79937"
                           xFract="0.29336519"
                           y3="0.08765"
                           yFract="0.0169549"
                           z3="10.35263"
                           zFract="0.41886111"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26522"
                           xFract="0.79336466"
                           y3="2.67245"
                           yFract="0.51695529"
                           z3="10.71749"
                           zFract="0.41886095"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78033"
                           xFract="0.79336586"
                           y3="0.08765"
                           yFract="0.0169549"
                           z3="10.53506"
                           zFract="0.41886102"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96873"
                           xFract="0.11054612"
                           y3="0.53904"
                           yFract="0.1042712"
                           z3="10.5891"
                           zFract="0.42995975"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45363"
                           xFract="0.11054659"
                           y3="3.12384"
                           yFract="0.60427159"
                           z3="10.77153"
                           zFract="0.42995966"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94969"
                           xFract="0.61054679"
                           y3="0.53904"
                           yFract="0.1042712"
                           z3="10.77153"
                           zFract="0.42995966"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43459"
                           xFract="0.61054726"
                           y3="3.12384"
                           yFract="0.60427159"
                           z3="10.95396"
                           zFract="0.42995957"/>
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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.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <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="1.23657"
                           xFract="0.14118925"
                           y3="0.68726"
                           yFract="0.13294269"
                           z3="6.18392"
                           zFract="0.24887273"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72146"
                           xFract="0.14118805"
                           y3="3.27206"
                           yFract="0.63294308"
                           z3="6.36636"
                           zFract="0.24887307"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21752"
                           xFract="0.64118824"
                           y3="0.68726"
                           yFract="0.13294269"
                           z3="6.36636"
                           zFract="0.24887307"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70242"
                           xFract="0.64118872"
                           y3="3.27206"
                           yFract="0.63294308"
                           z3="6.54879"
                           zFract="0.24887297"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52476"
                           xFract="0.27833499"
                           y3="1.50634"
                           yFract="0.29138447"
                           z3="8.67732"
                           zFract="0.34645793"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00965"
                           xFract="0.27833379"
                           y3="4.09114"
                           yFract="0.79138486"
                           z3="8.85976"
                           zFract="0.34645827"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50571"
                           xFract="0.77833399"
                           y3="1.50634"
                           yFract="0.29138447"
                           z3="8.85976"
                           zFract="0.34645827"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99061"
                           xFract="0.77833446"
                           y3="4.09114"
                           yFract="0.79138486"
                           z3="9.04219"
                           zFract="0.34645818"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28425"
                           xFract="0.29330547"
                           y3="2.67304"
                           yFract="0.51706942"
                           z3="10.53563"
                           zFract="0.41888353"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79936"
                           xFract="0.29330666"
                           y3="0.08824"
                           yFract="0.01706903"
                           z3="10.3532"
                           zFract="0.4188836"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26521"
                           xFract="0.79330614"
                           y3="2.67304"
                           yFract="0.51706942"
                           z3="10.71807"
                           zFract="0.41888384"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78031"
                           xFract="0.79330566"
                           y3="0.08824"
                           yFract="0.01706903"
                           z3="10.53563"
                           zFract="0.41888353"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96791"
                           xFract="0.11034883"
                           y3="0.53966"
                           yFract="0.10439114"
                           z3="10.58961"
                           zFract="0.42998177"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45281"
                           xFract="0.11034931"
                           y3="3.12446"
                           yFract="0.60439152"
                           z3="10.77204"
                           zFract="0.42998168"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94887"
                           xFract="0.61034951"
                           y3="0.53966"
                           yFract="0.10439114"
                           z3="10.77204"
                           zFract="0.42998168"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43376"
                           xFract="0.61034831"
                           y3="3.12446"
                           yFract="0.60439152"
                           z3="10.95447"
                           zFract="0.42998161"/>
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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"/>
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                     <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"/>
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                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
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                     <bond atomRefs2="a15 a19" order="S"/>
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                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="1.23655"
                           xFract="0.141183"
                           y3="0.68729"
                           yFract="0.13294849"
                           z3="6.18348"
                           zFract="0.24885473"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72145"
                           xFract="0.14118444"
                           y3="3.27208"
                           yFract="0.63294695"
                           z3="6.36591"
                           zFract="0.24885465"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21751"
                           xFract="0.64118367"
                           y3="0.68729"
                           yFract="0.13294849"
                           z3="6.36591"
                           zFract="0.24885464"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70241"
                           xFract="0.64118511"
                           y3="3.27208"
                           yFract="0.63294695"
                           z3="6.54834"
                           zFract="0.24885456"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52443"
                           xFract="0.2782517"
                           y3="1.50663"
                           yFract="0.29144057"
                           z3="8.67838"
                           zFract="0.3465017"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00933"
                           xFract="0.27825217"
                           y3="4.09143"
                           yFract="0.79144096"
                           z3="8.86082"
                           zFract="0.34650201"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50539"
                           xFract="0.77825237"
                           y3="1.50663"
                           yFract="0.29144057"
                           z3="8.86082"
                           zFract="0.34650201"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99029"
                           xFract="0.77825285"
                           y3="4.09143"
                           yFract="0.79144096"
                           z3="9.04325"
                           zFract="0.34650192"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28426"
                           xFract="0.29334087"
                           y3="2.67269"
                           yFract="0.51700172"
                           z3="10.53529"
                           zFract="0.4188701"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79937"
                           xFract="0.29334207"
                           y3="0.08789"
                           yFract="0.01700133"
                           z3="10.35286"
                           zFract="0.41887017"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26522"
                           xFract="0.79334154"
                           y3="2.67269"
                           yFract="0.51700172"
                           z3="10.71772"
                           zFract="0.41887001"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78032"
                           xFract="0.79334106"
                           y3="0.08789"
                           yFract="0.01700133"
                           z3="10.53529"
                           zFract="0.4188701"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9684"
                           xFract="0.11046667"
                           y3="0.53929"
                           yFract="0.10431956"
                           z3="10.58931"
                           zFract="0.42996881"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4533"
                           xFract="0.11046715"
                           y3="3.12409"
                           yFract="0.60431995"
                           z3="10.77174"
                           zFract="0.42996871"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94936"
                           xFract="0.61046735"
                           y3="0.53929"
                           yFract="0.10431956"
                           z3="10.77174"
                           zFract="0.42996872"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43425"
                           xFract="0.61046615"
                           y3="3.12409"
                           yFract="0.60431995"
                           z3="10.95417"
                           zFract="0.42996865"/>
                  </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.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23655"
                           xFract="0.141183"
                           y3="0.68729"
                           yFract="0.13294849"
                           z3="6.18363"
                           zFract="0.24886087"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72145"
                           xFract="0.14118348"
                           y3="3.27209"
                           yFract="0.63294888"
                           z3="6.36606"
                           zFract="0.24886078"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21751"
                           xFract="0.64118367"
                           y3="0.68729"
                           yFract="0.13294849"
                           z3="6.36606"
                           zFract="0.24886078"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70241"
                           xFract="0.64118415"
                           y3="3.27209"
                           yFract="0.63294888"
                           z3="6.54849"
                           zFract="0.24886068"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52464"
                           xFract="0.27829945"
                           y3="1.5065"
                           yFract="0.29141542"
                           z3="8.67804"
                           zFract="0.34648745"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00953"
                           xFract="0.27829825"
                           y3="4.0913"
                           yFract="0.79141581"
                           z3="8.86048"
                           zFract="0.34648779"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50559"
                           xFract="0.77829844"
                           y3="1.5065"
                           yFract="0.29141542"
                           z3="8.86048"
                           zFract="0.34648779"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99049"
                           xFract="0.77829892"
                           y3="4.0913"
                           yFract="0.79141581"
                           z3="9.04291"
                           zFract="0.3464877"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28402"
                           xFract="0.29327749"
                           y3="2.67293"
                           yFract="0.51704814"
                           z3="10.53541"
                           zFract="0.41887526"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79913"
                           xFract="0.29327869"
                           y3="0.08813"
                           yFract="0.01704775"
                           z3="10.35297"
                           zFract="0.41887492"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26498"
                           xFract="0.79327816"
                           y3="2.67293"
                           yFract="0.51704814"
                           z3="10.71784"
                           zFract="0.41887517"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.78008"
                           xFract="0.79327768"
                           y3="0.08813"
                           yFract="0.01704775"
                           z3="10.53541"
                           zFract="0.41887526"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96835"
                           xFract="0.11044962"
                           y3="0.53938"
                           yFract="0.10433697"
                           z3="10.58938"
                           zFract="0.42997167"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45324"
                           xFract="0.11044842"
                           y3="3.12418"
                           yFract="0.60433736"
                           z3="10.77181"
                           zFract="0.4299716"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9493"
                           xFract="0.61044861"
                           y3="0.53938"
                           yFract="0.10433697"
                           z3="10.77181"
                           zFract="0.4299716"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4342"
                           xFract="0.61044909"
                           y3="3.12418"
                           yFract="0.60433736"
                           z3="10.95424"
                           zFract="0.4299715"/>
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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"/>
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                     <bond atomRefs2="a19 a24" 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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                     <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>
                     <atom elementType="Ag"
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           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="1.23655"
                           xFract="0.14118204"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.18365"
                           zFract="0.24886167"/>
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                           id="a10"
                           x3="2.72145"
                           xFract="0.14118348"
                           y3="3.27209"
                           yFract="0.63294888"
                           z3="6.36609"
                           zFract="0.248862"/>
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                           id="a11"
                           x3="4.21751"
                           xFract="0.64118271"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.36609"
                           zFract="0.24886199"/>
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                           id="a12"
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                           xFract="0.64118415"
                           y3="3.27209"
                           yFract="0.63294888"
                           z3="6.54852"
                           zFract="0.24886191"/>
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                           id="a13"
                           x3="2.52467"
                           xFract="0.27830641"
                           y3="1.50648"
                           yFract="0.29141155"
                           z3="8.67798"
                           zFract="0.34648495"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00957"
                           xFract="0.27830688"
                           y3="4.09128"
                           yFract="0.79141194"
                           z3="8.86041"
                           zFract="0.34648485"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50563"
                           xFract="0.77830708"
                           y3="1.50648"
                           yFract="0.29141155"
                           z3="8.86041"
                           zFract="0.34648486"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99052"
                           xFract="0.77830588"
                           y3="4.09128"
                           yFract="0.79141194"
                           z3="9.04285"
                           zFract="0.3464852"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28398"
                           xFract="0.29326596"
                           y3="2.67298"
                           yFract="0.51705781"
                           z3="10.53543"
                           zFract="0.41887611"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79908"
                           xFract="0.29326548"
                           y3="0.08818"
                           yFract="0.01705743"
                           z3="10.3530"
                           zFract="0.4188762"/>
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                           id="a19"
                           x3="6.26494"
                           xFract="0.79326663"
                           y3="2.67298"
                           yFract="0.51705781"
                           z3="10.71786"
                           zFract="0.41887602"/>
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                           id="a20"
                           x3="4.78004"
                           xFract="0.79326615"
                           y3="0.08818"
                           yFract="0.01705743"
                           z3="10.53543"
                           zFract="0.41887611"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96834"
                           xFract="0.11044601"
                           y3="0.5394"
                           yFract="0.10434084"
                           z3="10.58939"
                           zFract="0.42997207"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45324"
                           xFract="0.11044745"
                           y3="3.12419"
                           yFract="0.60433929"
                           z3="10.77182"
                           zFract="0.42997199"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.9493"
                           xFract="0.61044668"
                           y3="0.5394"
                           yFract="0.10434084"
                           z3="10.77182"
                           zFract="0.42997198"/>
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                           id="a24"
                           x3="5.43419"
                           xFract="0.61044645"
                           y3="3.12419"
                           yFract="0.60433929"
                           z3="10.95425"
                           zFract="0.42997192"/>
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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.34">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           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="1.23655"
                           xFract="0.14118204"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.18371"
                           zFract="0.24886413"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72145"
                           xFract="0.14118252"
                           y3="3.2721"
                           yFract="0.63295081"
                           z3="6.36614"
                           zFract="0.24886403"/>
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                           id="a11"
                           x3="4.21751"
                           xFract="0.64118271"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.36614"
                           zFract="0.24886404"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70241"
                           xFract="0.64118319"
                           y3="3.2721"
                           yFract="0.63295081"
                           z3="6.54857"
                           zFract="0.24886394"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52474"
                           xFract="0.27832296"
                           y3="1.50643"
                           yFract="0.29140188"
                           z3="8.67786"
                           zFract="0.34647994"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00964"
                           xFract="0.27832344"
                           y3="4.09123"
                           yFract="0.79140227"
                           z3="8.86029"
                           zFract="0.34647984"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5057"
                           xFract="0.77832364"
                           y3="1.50643"
                           yFract="0.29140188"
                           z3="8.86029"
                           zFract="0.34647985"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.9906"
                           xFract="0.77832411"
                           y3="4.09123"
                           yFract="0.79140227"
                           z3="9.04272"
                           zFract="0.34647975"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28389"
                           xFract="0.29324219"
                           y3="2.67307"
                           yFract="0.51707522"
                           z3="10.53547"
                           zFract="0.41887784"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7990"
                           xFract="0.29324339"
                           y3="0.08827"
                           yFract="0.01707484"
                           z3="10.35304"
                           zFract="0.41887791"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26485"
                           xFract="0.79324286"
                           y3="2.67307"
                           yFract="0.51707522"
                           z3="10.7179"
                           zFract="0.41887775"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77995"
                           xFract="0.79324238"
                           y3="0.08827"
                           yFract="0.01707484"
                           z3="10.53547"
                           zFract="0.41887784"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96832"
                           xFract="0.11043977"
                           y3="0.53943"
                           yFract="0.10434665"
                           z3="10.58942"
                           zFract="0.42997331"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45322"
                           xFract="0.11044121"
                           y3="3.12422"
                           yFract="0.6043451"
                           z3="10.77185"
                           zFract="0.42997322"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94928"
                           xFract="0.61044044"
                           y3="0.53943"
                           yFract="0.10434665"
                           z3="10.77185"
                           zFract="0.42997321"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43417"
                           xFract="0.6104402"
                           y3="3.12422"
                           yFract="0.6043451"
                           z3="10.95428"
                           zFract="0.42997316"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
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                     <bond atomRefs2="a19 a24" order="S"/>
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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"
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23655"
                           xFract="0.14118204"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.18382"
                           zFract="0.24886863"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72145"
                           xFract="0.14118252"
                           y3="3.2721"
                           yFract="0.63295081"
                           z3="6.36625"
                           zFract="0.24886853"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21751"
                           xFract="0.64118271"
                           y3="0.6873"
                           yFract="0.13295043"
                           z3="6.36625"
                           zFract="0.24886854"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.7024"
                           xFract="0.64118151"
                           y3="3.2721"
                           yFract="0.63295081"
                           z3="6.54868"
                           zFract="0.24886847"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52489"
                           xFract="0.2783568"
                           y3="1.50634"
                           yFract="0.29138447"
                           z3="8.67761"
                           zFract="0.34646947"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00979"
                           xFract="0.27835824"
                           y3="4.09113"
                           yFract="0.79138292"
                           z3="8.86004"
                           zFract="0.34646939"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50585"
                           xFract="0.77835747"
                           y3="1.50634"
                           yFract="0.29138447"
                           z3="8.86004"
                           zFract="0.34646937"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99074"
                           xFract="0.77835723"
                           y3="4.09113"
                           yFract="0.79138292"
                           z3="9.04247"
                           zFract="0.34646932"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28372"
                           xFract="0.29319633"
                           y3="2.67325"
                           yFract="0.51711004"
                           z3="10.53555"
                           zFract="0.41888128"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79883"
                           xFract="0.29319753"
                           y3="0.08845"
                           yFract="0.01710965"
                           z3="10.35312"
                           zFract="0.41888135"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26468"
                           xFract="0.793197"
                           y3="2.67325"
                           yFract="0.51711004"
                           z3="10.71798"
                           zFract="0.41888118"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77978"
                           xFract="0.79319653"
                           y3="0.08845"
                           yFract="0.01710965"
                           z3="10.53555"
                           zFract="0.41888128"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96828"
                           xFract="0.11042728"
                           y3="0.53949"
                           yFract="0.10435825"
                           z3="10.58947"
                           zFract="0.42997536"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45318"
                           xFract="0.11042775"
                           y3="3.12429"
                           yFract="0.60435864"
                           z3="10.7719"
                           zFract="0.42997527"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94924"
                           xFract="0.61042795"
                           y3="0.53949"
                           yFract="0.10435825"
                           z3="10.7719"
                           zFract="0.42997527"/>
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                           id="a24"
                           x3="5.43414"
                           xFract="0.61042842"
                           y3="3.12429"
                           yFract="0.60435864"
                           z3="10.95433"
                           zFract="0.42997518"/>
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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.36">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           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"/>
                     <atom elementType="Ag"
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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="1.23656"
                           xFract="0.14118082"
                           y3="0.68733"
                           yFract="0.13295623"
                           z3="6.18389"
                           zFract="0.24887142"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72145"
                           xFract="0.14118059"
                           y3="3.27212"
                           yFract="0.63295468"
                           z3="6.36632"
                           zFract="0.24887137"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21751"
                           xFract="0.64117982"
                           y3="0.68733"
                           yFract="0.13295623"
                           z3="6.36632"
                           zFract="0.24887136"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70241"
                           xFract="0.64118126"
                           y3="3.27212"
                           yFract="0.63295468"
                           z3="6.54875"
                           zFract="0.24887128"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52514"
                           xFract="0.27841126"
                           y3="1.50621"
                           yFract="0.29135932"
                           z3="8.6775"
                           zFract="0.34646453"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01004"
                           xFract="0.27841173"
                           y3="4.09101"
                           yFract="0.79135971"
                           z3="8.85993"
                           zFract="0.34646443"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5061"
                           xFract="0.77841193"
                           y3="1.50621"
                           yFract="0.29135932"
                           z3="8.85993"
                           zFract="0.34646444"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99099"
                           xFract="0.77841073"
                           y3="4.09101"
                           yFract="0.79135971"
                           z3="9.04237"
                           zFract="0.34646478"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28352"
                           xFract="0.29314255"
                           y3="2.67346"
                           yFract="0.51715066"
                           z3="10.53546"
                           zFract="0.41887779"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79862"
                           xFract="0.29314207"
                           y3="0.08866"
                           yFract="0.01715028"
                           z3="10.35303"
                           zFract="0.41887789"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26447"
                           xFract="0.79314155"
                           y3="2.67346"
                           yFract="0.51715066"
                           z3="10.71789"
                           zFract="0.41887772"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77958"
                           xFract="0.79314274"
                           y3="0.08866"
                           yFract="0.01715028"
                           z3="10.53546"
                           zFract="0.41887779"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96811"
                           xFract="0.11038334"
                           y3="0.53965"
                           yFract="0.1043892"
                           z3="10.58955"
                           zFract="0.42997883"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45301"
                           xFract="0.11038382"
                           y3="3.12445"
                           yFract="0.60438959"
                           z3="10.77198"
                           zFract="0.42997874"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94907"
                           xFract="0.61038402"
                           y3="0.53965"
                           yFract="0.1043892"
                           z3="10.77198"
                           zFract="0.42997874"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43397"
                           xFract="0.61038449"
                           y3="3.12445"
                           yFract="0.60438959"
                           z3="10.95441"
                           zFract="0.42997864"/>
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                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           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="1.23656"
                           xFract="0.14117697"
                           y3="0.68737"
                           yFract="0.13296397"
                           z3="6.18403"
                           zFract="0.24887709"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72146"
                           xFract="0.14117841"
                           y3="3.27216"
                           yFract="0.63296242"
                           z3="6.36646"
                           zFract="0.24887701"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21752"
                           xFract="0.64117764"
                           y3="0.68737"
                           yFract="0.13296397"
                           z3="6.36646"
                           zFract="0.248877"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70242"
                           xFract="0.64117908"
                           y3="3.27216"
                           yFract="0.63296242"
                           z3="6.54889"
                           zFract="0.24887692"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5256"
                           xFract="0.27851154"
                           y3="1.50597"
                           yFract="0.2913129"
                           z3="8.6773"
                           zFract="0.34645554"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0105"
                           xFract="0.27851202"
                           y3="4.09077"
                           yFract="0.79131329"
                           z3="8.85974"
                           zFract="0.34645586"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50656"
                           xFract="0.77851221"
                           y3="1.50597"
                           yFract="0.2913129"
                           z3="8.85974"
                           zFract="0.34645586"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99146"
                           xFract="0.77851269"
                           y3="4.09077"
                           yFract="0.79131329"
                           z3="9.04217"
                           zFract="0.34645577"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28315"
                           xFract="0.29304388"
                           y3="2.67384"
                           yFract="0.51722417"
                           z3="10.53529"
                           zFract="0.41887121"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79825"
                           xFract="0.2930434"
                           y3="0.08904"
                           yFract="0.01722378"
                           z3="10.35286"
                           zFract="0.41887131"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.2641"
                           xFract="0.79304287"
                           y3="2.67384"
                           yFract="0.51722417"
                           z3="10.71772"
                           zFract="0.41887115"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77921"
                           xFract="0.79304407"
                           y3="0.08904"
                           yFract="0.01722378"
                           z3="10.53529"
                           zFract="0.41887122"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9678"
                           xFract="0.11030244"
                           y3="0.53995"
                           yFract="0.10444723"
                           z3="10.58969"
                           zFract="0.4299849"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.4527"
                           xFract="0.11030292"
                           y3="3.12475"
                           yFract="0.60444762"
                           z3="10.77213"
                           zFract="0.42998521"/>
                     <atom elementType="H"
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                           x3="3.94876"
                           xFract="0.61030311"
                           y3="0.53995"
                           yFract="0.10444723"
                           z3="10.77213"
                           zFract="0.42998522"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43366"
                           xFract="0.61030359"
                           y3="3.12475"
                           yFract="0.60444762"
                           z3="10.95456"
                           zFract="0.42998512"/>
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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.38">
                  <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="1.23658"
                           xFract="0.14117262"
                           y3="0.68745"
                           yFract="0.13297944"
                           z3="6.1843"
                           zFract="0.24888797"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72147"
                           xFract="0.14117238"
                           y3="3.27224"
                           yFract="0.6329779"
                           z3="6.36673"
                           zFract="0.24888792"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21753"
                           xFract="0.64117161"
                           y3="0.68745"
                           yFract="0.13297944"
                           z3="6.36673"
                           zFract="0.2488879"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70243"
                           xFract="0.64117305"
                           y3="3.27224"
                           yFract="0.6329779"
                           z3="6.54916"
                           zFract="0.24888782"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52652"
                           xFract="0.27871114"
                           y3="1.5055"
                           yFract="0.29122198"
                           z3="8.67691"
                           zFract="0.34643797"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01142"
                           xFract="0.27871162"
                           y3="4.0903"
                           yFract="0.79122237"
                           z3="8.85934"
                           zFract="0.34643787"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50748"
                           xFract="0.77871181"
                           y3="1.5055"
                           yFract="0.29122198"
                           z3="8.85934"
                           zFract="0.34643788"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99238"
                           xFract="0.77871229"
                           y3="4.0903"
                           yFract="0.79122237"
                           z3="9.04177"
                           zFract="0.34643778"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28241"
                           xFract="0.29284652"
                           y3="2.6746"
                           yFract="0.51737118"
                           z3="10.53495"
                           zFract="0.41885806"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79751"
                           xFract="0.29284508"
                           y3="0.08981"
                           yFract="0.01737273"
                           z3="10.35252"
                           zFract="0.41885814"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26336"
                           xFract="0.79284552"
                           y3="2.6746"
                           yFract="0.51737118"
                           z3="10.71739"
                           zFract="0.4188584"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77847"
                           xFract="0.79284575"
                           y3="0.08981"
                           yFract="0.01737273"
                           z3="10.53495"
                           zFract="0.41885804"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96718"
                           xFract="0.1101416"
                           y3="0.54054"
                           yFract="0.10456136"
                           z3="10.58999"
                           zFract="0.42999787"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45208"
                           xFract="0.11014207"
                           y3="3.12534"
                           yFract="0.60456175"
                           z3="10.77242"
                           zFract="0.42999777"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94814"
                           xFract="0.61014227"
                           y3="0.54054"
                           yFract="0.10456136"
                           z3="10.77242"
                           zFract="0.42999778"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43303"
                           xFract="0.61014107"
                           y3="3.12534"
                           yFract="0.60456175"
                           z3="10.95485"
                           zFract="0.42999771"/>
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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.39">
                  <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="1.2366"
                           xFract="0.14116923"
                           y3="0.68752"
                           yFract="0.13299298"
                           z3="6.18411"
                           zFract="0.24888005"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7215"
                           xFract="0.1411697"
                           y3="3.27232"
                           yFract="0.63299337"
                           z3="6.36654"
                           zFract="0.24887995"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21756"
                           xFract="0.6411699"
                           y3="0.68752"
                           yFract="0.13299298"
                           z3="6.36654"
                           zFract="0.24887996"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70246"
                           xFract="0.64117037"
                           y3="3.27232"
                           yFract="0.63299337"
                           z3="6.54898"
                           zFract="0.24888027"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52684"
                           xFract="0.27876963"
                           y3="1.50545"
                           yFract="0.29121231"
                           z3="8.67711"
                           zFract="0.34644542"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01173"
                           xFract="0.27876843"
                           y3="4.09025"
                           yFract="0.7912127"
                           z3="8.85954"
                           zFract="0.34644535"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50779"
                           xFract="0.77876862"
                           y3="1.50545"
                           yFract="0.29121231"
                           z3="8.85954"
                           zFract="0.34644535"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99269"
                           xFract="0.7787691"
                           y3="4.09025"
                           yFract="0.7912127"
                           z3="9.04198"
                           zFract="0.34644567"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28227"
                           xFract="0.29282882"
                           y3="2.67454"
                           yFract="0.51735958"
                           z3="10.53491"
                           zFract="0.41885686"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79738"
                           xFract="0.29283002"
                           y3="0.08974"
                           yFract="0.01735919"
                           z3="10.35247"
                           zFract="0.41885652"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26323"
                           xFract="0.79282949"
                           y3="2.67454"
                           yFract="0.51735958"
                           z3="10.71734"
                           zFract="0.41885676"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77833"
                           xFract="0.79282901"
                           y3="0.08974"
                           yFract="0.01735919"
                           z3="10.53491"
                           zFract="0.41885686"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96676"
                           xFract="0.11003261"
                           y3="0.54094"
                           yFract="0.10463874"
                           z3="10.58995"
                           zFract="0.4299967"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45166"
                           xFract="0.11003405"
                           y3="3.12573"
                           yFract="0.60463719"
                           z3="10.77239"
                           zFract="0.42999703"/>
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                           id="a23"
                           x3="3.94772"
                           xFract="0.61003328"
                           y3="0.54094"
                           yFract="0.10463874"
                           z3="10.77239"
                           zFract="0.42999702"/>
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                           id="a24"
                           x3="5.43261"
                           xFract="0.61003304"
                           y3="3.12573"
                           yFract="0.60463719"
                           z3="10.95482"
                           zFract="0.42999697"/>
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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"/>
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                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
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                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
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                     <bond atomRefs2="a9 a13" order="S"/>
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                     <bond atomRefs2="a11 a13" order="S"/>
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                     <bond atomRefs2="a12 a16" order="S"/>
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                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <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="1.23661"
                           xFract="0.14116994"
                           y3="0.68753"
                           yFract="0.13299492"
                           z3="6.18408"
                           zFract="0.24887878"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.7215"
                           xFract="0.14116874"
                           y3="3.27233"
                           yFract="0.63299531"
                           z3="6.36651"
                           zFract="0.24887871"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21756"
                           xFract="0.64116893"
                           y3="0.68753"
                           yFract="0.13299492"
                           z3="6.36651"
                           zFract="0.24887871"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70246"
                           xFract="0.64116941"
                           y3="3.27233"
                           yFract="0.63299531"
                           z3="6.54895"
                           zFract="0.24887903"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52689"
                           xFract="0.27877898"
                           y3="1.50544"
                           yFract="0.29121038"
                           z3="8.67714"
                           zFract="0.34644654"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01178"
                           xFract="0.27877778"
                           y3="4.09024"
                           yFract="0.79121076"
                           z3="8.85958"
                           zFract="0.34644688"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50784"
                           xFract="0.77877797"
                           y3="1.50544"
                           yFract="0.29121038"
                           z3="8.85958"
                           zFract="0.34644688"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99274"
                           xFract="0.77877845"
                           y3="4.09024"
                           yFract="0.79121076"
                           z3="9.04201"
                           zFract="0.34644678"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28225"
                           xFract="0.29282643"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.5349"
                           zFract="0.41885651"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79736"
                           xFract="0.29282763"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.35247"
                           zFract="0.41885658"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26321"
                           xFract="0.7928271"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.71733"
                           zFract="0.41885642"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77831"
                           xFract="0.79282662"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.5349"
                           zFract="0.41885652"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9667"
                           xFract="0.11001676"
                           y3="0.5410"
                           yFract="0.10465034"
                           z3="10.58995"
                           zFract="0.42999677"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45159"
                           xFract="0.11001653"
                           y3="3.12579"
                           yFract="0.6046488"
                           z3="10.77238"
                           zFract="0.42999671"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94765"
                           xFract="0.61001575"
                           y3="0.5410"
                           yFract="0.10465034"
                           z3="10.77238"
                           zFract="0.4299967"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43255"
                           xFract="0.6100172"
                           y3="3.12579"
                           yFract="0.6046488"
                           z3="10.95481"
                           zFract="0.42999662"/>
                  </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.41">
                  <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="1.23663"
                           xFract="0.14116848"
                           y3="0.68758"
                           yFract="0.13300459"
                           z3="6.18394"
                           zFract="0.24887293"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72153"
                           xFract="0.14116895"
                           y3="3.27238"
                           yFract="0.63300498"
                           z3="6.36638"
                           zFract="0.24887325"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21759"
                           xFract="0.64116915"
                           y3="0.68758"
                           yFract="0.13300459"
                           z3="6.36638"
                           zFract="0.24887325"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70248"
                           xFract="0.64116795"
                           y3="3.27238"
                           yFract="0.63300498"
                           z3="6.54881"
                           zFract="0.24887318"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52705"
                           xFract="0.27880775"
                           y3="1.50542"
                           yFract="0.29120651"
                           z3="8.67729"
                           zFract="0.3464523"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01195"
                           xFract="0.27880822"
                           y3="4.09022"
                           yFract="0.7912069"
                           z3="8.85972"
                           zFract="0.34645221"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50801"
                           xFract="0.77880842"
                           y3="1.50542"
                           yFract="0.29120651"
                           z3="8.85972"
                           zFract="0.34645221"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99291"
                           xFract="0.77880889"
                           y3="4.09022"
                           yFract="0.7912069"
                           z3="9.04215"
                           zFract="0.34645211"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28202"
                           xFract="0.29278785"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.53494"
                           zFract="0.41885872"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79713"
                           xFract="0.29278905"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.35251"
                           zFract="0.41885879"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26298"
                           xFract="0.79278852"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.71738"
                           zFract="0.41885904"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77808"
                           xFract="0.79278805"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.53494"
                           zFract="0.41885873"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.9666"
                           xFract="0.10998457"
                           y3="0.54116"
                           yFract="0.10468129"
                           z3="10.58987"
                           zFract="0.42999351"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45149"
                           xFract="0.10998337"
                           y3="3.12596"
                           yFract="0.60468168"
                           z3="10.7723"
                           zFract="0.42999344"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94755"
                           xFract="0.60998356"
                           y3="0.54116"
                           yFract="0.10468129"
                           z3="10.7723"
                           zFract="0.42999345"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43245"
                           xFract="0.60998404"
                           y3="3.12596"
                           yFract="0.60468168"
                           z3="10.95473"
                           zFract="0.42999335"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
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                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.42">
                  <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>
                     <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"
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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"
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                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           id="a9"
                           x3="1.2367"
                           xFract="0.14116576"
                           y3="0.68773"
                           yFract="0.13303361"
                           z3="6.18353"
                           zFract="0.24885577"/>
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                           id="a10"
                           x3="2.72159"
                           xFract="0.14116456"
                           y3="3.27253"
                           yFract="0.63303399"
                           z3="6.36596"
                           zFract="0.2488557"/>
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                           id="a11"
                           x3="4.21765"
                           xFract="0.64116476"
                           y3="0.68773"
                           yFract="0.13303361"
                           z3="6.36596"
                           zFract="0.2488557"/>
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                           id="a12"
                           x3="5.70255"
                           xFract="0.64116524"
                           y3="3.27253"
                           yFract="0.63303399"
                           z3="6.54839"
                           zFract="0.24885561"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52755"
                           xFract="0.27889836"
                           y3="1.50535"
                           yFract="0.29119297"
                           z3="8.67772"
                           zFract="0.34646874"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01245"
                           xFract="0.27889883"
                           y3="4.09015"
                           yFract="0.79119335"
                           z3="8.86015"
                           zFract="0.34646865"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50851"
                           xFract="0.77889903"
                           y3="1.50535"
                           yFract="0.29119297"
                           z3="8.86015"
                           zFract="0.34646865"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99341"
                           xFract="0.77889951"
                           y3="4.09015"
                           yFract="0.79119335"
                           z3="9.04258"
                           zFract="0.34646855"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28134"
                           xFract="0.2926738"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.53508"
                           zFract="0.41886615"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79645"
                           xFract="0.29267499"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.35265"
                           zFract="0.41886622"/>
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                           id="a19"
                           x3="6.2623"
                           xFract="0.79267447"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.71751"
                           zFract="0.41886606"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7774"
                           xFract="0.79267399"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.53508"
                           zFract="0.41886616"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96629"
                           xFract="0.10988536"
                           y3="0.54165"
                           yFract="0.10477608"
                           z3="10.58961"
                           zFract="0.42998294"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45119"
                           xFract="0.10988584"
                           y3="3.12645"
                           yFract="0.60477647"
                           z3="10.77204"
                           zFract="0.42998285"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94725"
                           xFract="0.60988603"
                           y3="0.54165"
                           yFract="0.10477608"
                           z3="10.77204"
                           zFract="0.42998285"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43214"
                           xFract="0.60988483"
                           y3="3.12645"
                           yFract="0.60477647"
                           z3="10.95448"
                           zFract="0.42998319"/>
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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"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.43">
                  <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="1.23683"
                           xFract="0.1411577"
                           y3="0.68804"
                           yFract="0.13309357"
                           z3="6.1827"
                           zFract="0.24882104"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72173"
                           xFract="0.14115914"
                           y3="3.27283"
                           yFract="0.63309202"
                           z3="6.36513"
                           zFract="0.24882096"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21779"
                           xFract="0.64115837"
                           y3="0.68804"
                           yFract="0.13309357"
                           z3="6.36513"
                           zFract="0.24882095"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70269"
                           xFract="0.64115981"
                           y3="3.27283"
                           yFract="0.63309202"
                           z3="6.54756"
                           zFract="0.24882087"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52856"
                           xFract="0.27908029"
                           y3="1.50522"
                           yFract="0.29116782"
                           z3="8.67859"
                           zFract="0.34650199"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01345"
                           xFract="0.27907909"
                           y3="4.09002"
                           yFract="0.79116821"
                           z3="8.86102"
                           zFract="0.34650192"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50951"
                           xFract="0.77907928"
                           y3="1.50522"
                           yFract="0.29116782"
                           z3="8.86102"
                           zFract="0.34650192"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99441"
                           xFract="0.77907976"
                           y3="4.09002"
                           yFract="0.79116821"
                           z3="9.04345"
                           zFract="0.34650183"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.27998"
                           xFract="0.29244568"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.53535"
                           zFract="0.4188806"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79508"
                           xFract="0.2924452"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.35292"
                           zFract="0.4188807"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26093"
                           xFract="0.79244467"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.71778"
                           zFract="0.41888054"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77604"
                           xFract="0.79244587"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.53535"
                           zFract="0.41888061"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96568"
                           xFract="0.10968861"
                           y3="0.54263"
                           yFract="0.10496565"
                           z3="10.58911"
                           zFract="0.4299626"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45057"
                           xFract="0.10968741"
                           y3="3.12743"
                           yFract="0.60496604"
                           z3="10.77154"
                           zFract="0.42996253"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94663"
                           xFract="0.60968761"
                           y3="0.54263"
                           yFract="0.10496565"
                           z3="10.77154"
                           zFract="0.42996253"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43153"
                           xFract="0.60968808"
                           y3="3.12743"
                           yFract="0.60496604"
                           z3="10.95397"
                           zFract="0.42996243"/>
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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"/>
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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.44">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           x3="4.48636"
                           xFract="0.33604611"
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                           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"
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                           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"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.23679"
                           xFract="0.14116062"
                           y3="0.68794"
                           yFract="0.13307423"
                           z3="6.18295"
                           zFract="0.24883151"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72169"
                           xFract="0.1411611"
                           y3="3.27274"
                           yFract="0.63307462"
                           z3="6.36539"
                           zFract="0.24883183"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21775"
                           xFract="0.6411613"
                           y3="0.68794"
                           yFract="0.13307423"
                           z3="6.36539"
                           zFract="0.24883183"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70264"
                           xFract="0.6411601"
                           y3="3.27274"
                           yFract="0.63307462"
                           z3="6.54782"
                           zFract="0.24883176"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52825"
                           xFract="0.27902444"
                           y3="1.50526"
                           yFract="0.29117556"
                           z3="8.67832"
                           zFract="0.34649166"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01314"
                           xFract="0.27902324"
                           y3="4.09006"
                           yFract="0.79117594"
                           z3="8.86075"
                           zFract="0.34649159"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5092"
                           xFract="0.77902343"
                           y3="1.50526"
                           yFract="0.29117556"
                           z3="8.86075"
                           zFract="0.3464916"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.9941"
                           xFract="0.77902391"
                           y3="4.09006"
                           yFract="0.79117594"
                           z3="9.04318"
                           zFract="0.3464915"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.2804"
                           xFract="0.29251613"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.53527"
                           zFract="0.41887628"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.7955"
                           xFract="0.29251565"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.35283"
                           zFract="0.41887596"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26136"
                           xFract="0.7925168"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.7177"
                           zFract="0.41887619"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77646"
                           xFract="0.79251632"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.53527"
                           zFract="0.41887628"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96587"
                           xFract="0.10975035"
                           y3="0.54232"
                           yFract="0.10490568"
                           z3="10.58926"
                           zFract="0.42996871"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45076"
                           xFract="0.10974915"
                           y3="3.12712"
                           yFract="0.60490607"
                           z3="10.7717"
                           zFract="0.42996905"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94682"
                           xFract="0.60974935"
                           y3="0.54232"
                           yFract="0.10490568"
                           z3="10.7717"
                           zFract="0.42996905"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43172"
                           xFract="0.60974982"
                           y3="3.12712"
                           yFract="0.60490607"
                           z3="10.95413"
                           zFract="0.42996895"/>
                  </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.45">
                  <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="1.23676"
                           xFract="0.14116234"
                           y3="0.68787"
                           yFract="0.13306069"
                           z3="6.18315"
                           zFract="0.24883987"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72166"
                           xFract="0.14116282"
                           y3="3.27267"
                           yFract="0.63306107"
                           z3="6.36559"
                           zFract="0.24884018"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21772"
                           xFract="0.64116301"
                           y3="0.68787"
                           yFract="0.13306069"
                           z3="6.36559"
                           zFract="0.24884019"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70261"
                           xFract="0.64116181"
                           y3="3.27267"
                           yFract="0.63306107"
                           z3="6.54802"
                           zFract="0.24884012"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5280"
                           xFract="0.27897962"
                           y3="1.50529"
                           yFract="0.29118136"
                           z3="8.67811"
                           zFract="0.34648365"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0129"
                           xFract="0.27898009"
                           y3="4.09009"
                           yFract="0.79118175"
                           z3="8.86054"
                           zFract="0.34648356"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50896"
                           xFract="0.77898029"
                           y3="1.50529"
                           yFract="0.29118136"
                           z3="8.86054"
                           zFract="0.34648356"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99386"
                           xFract="0.77898077"
                           y3="4.09009"
                           yFract="0.79118175"
                           z3="9.04297"
                           zFract="0.34648347"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28073"
                           xFract="0.29257148"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.5352"
                           zFract="0.41887259"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79583"
                           xFract="0.292571"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.35277"
                           zFract="0.41887268"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26169"
                           xFract="0.79257215"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.71763"
                           zFract="0.4188725"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.77679"
                           xFract="0.79257167"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.5352"
                           zFract="0.41887259"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96601"
                           xFract="0.109796"
                           y3="0.54209"
                           yFract="0.10486119"
                           z3="10.58939"
                           zFract="0.42997401"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45091"
                           xFract="0.10979647"
                           y3="3.12689"
                           yFract="0.60486158"
                           z3="10.77182"
                           zFract="0.42997391"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94697"
                           xFract="0.60979667"
                           y3="0.54209"
                           yFract="0.10486119"
                           z3="10.77182"
                           zFract="0.42997391"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.43187"
                           xFract="0.60979715"
                           y3="3.12689"
                           yFract="0.60486158"
                           z3="10.95425"
                           zFract="0.42997382"/>
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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.46">
                  <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="1.23673"
                           xFract="0.14116405"
                           y3="0.6878"
                           yFract="0.13304715"
                           z3="6.18334"
                           zFract="0.24884782"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.72163"
                           xFract="0.14116453"
                           y3="3.2726"
                           yFract="0.63304753"
                           z3="6.36577"
                           zFract="0.24884772"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.21769"
                           xFract="0.64116472"
                           y3="0.6878"
                           yFract="0.13304715"
                           z3="6.36577"
                           zFract="0.24884773"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.70258"
                           xFract="0.64116352"
                           y3="3.2726"
                           yFract="0.63304753"
                           z3="6.54821"
                           zFract="0.24884807"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52778"
                           xFract="0.27893982"
                           y3="1.50532"
                           yFract="0.29118716"
                           z3="8.67791"
                           zFract="0.34647598"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.01268"
                           xFract="0.2789403"
                           y3="4.09012"
                           yFract="0.79118755"
                           z3="8.86035"
                           zFract="0.34647629"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.50874"
                           xFract="0.7789405"
                           y3="1.50532"
                           yFract="0.29118716"
                           z3="8.86035"
                           zFract="0.3464763"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.99363"
                           xFract="0.7789393"
                           y3="4.09012"
                           yFract="0.79118755"
                           z3="9.04278"
                           zFract="0.34647623"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.28104"
                           xFract="0.29262348"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.53514"
                           zFract="0.41886936"/>
                     <atom elementType="O"
                           id="a18"
                           x3="1.79614"
                           xFract="0.292623"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.35271"
                           zFract="0.41886945"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.26199"
                           xFract="0.79262247"
                           y3="2.67453"
                           yFract="0.51735764"
                           z3="10.71757"
                           zFract="0.41886929"/>
                     <atom elementType="O"
                           id="a20"
                           x3="4.7771"
                           xFract="0.79262367"
                           y3="0.08973"
                           yFract="0.01735726"
                           z3="10.53514"
                           zFract="0.41886936"/>
                     <atom elementType="H"
                           id="a21"
                           x3="0.96615"
                           xFract="0.10984068"
                           y3="0.54187"
                           yFract="0.10481864"
                           z3="10.5895"
                           zFract="0.42997847"/>
                     <atom elementType="H"
                           id="a22"
                           x3="2.45105"
                           xFract="0.10984116"
                           y3="3.12667"
                           yFract="0.60481902"
                           z3="10.77193"
                           zFract="0.42997838"/>
                     <atom elementType="H"
                           id="a23"
                           x3="3.94711"
                           xFract="0.60984135"
                           y3="0.54187"
                           yFract="0.10481864"
                           z3="10.77193"
                           zFract="0.42997838"/>
                     <atom elementType="H"
                           id="a24"
                           x3="5.4320"
                           xFract="0.60984015"
                           y3="3.12667"
                           yFract="0.60481902"
                           z3="10.95436"
                           zFract="0.42997831"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a22" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a19 a24" order="S"/>
                     <bond atomRefs2="a20 a23" order="S"/>
                  </bondArray>
                  <formula concise="H4O4Ag16">
                     <atomArray count="4 4 16" elementType="H O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="24">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="24">0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.001 -0.001 -0.001 -0.001 0.001 0.001 0.001 0.001 -0.001 -0.001 -0.001 -0.001</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="24">0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.001 -0.001 -0.001 -0.001 0.085 0.085 0.085 0.085 0.001 0.001 0.001 0.001</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 0.016 0.016 0.016 0.016 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">0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.014 0.014 0.014 0.014 0.086 0.086 0.086 0.086 -0.001 -0.001 -0.001 -0.001</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.003</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">0.342</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.068</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">0.407</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-54.32365187</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-54.32085009</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-54.32271795</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-7.5330</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.7918395E-06</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="1.23673"
                        xFract="0.14116405"
                        y3="0.6878"
                        yFract="0.13304715"
                        z3="6.18334"
                        zFract="0.24884782"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.72163"
                        xFract="0.14116453"
                        y3="3.2726"
                        yFract="0.63304753"
                        z3="6.36577"
                        zFract="0.24884772"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.21769"
                        xFract="0.64116472"
                        y3="0.6878"
                        yFract="0.13304715"
                        z3="6.36577"
                        zFract="0.24884773"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.70258"
                        xFract="0.64116352"
                        y3="3.2726"
                        yFract="0.63304753"
                        z3="6.54821"
                        zFract="0.24884807"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.52778"
                        xFract="0.27893982"
                        y3="1.50532"
                        yFract="0.29118716"
                        z3="8.67791"
                        zFract="0.34647598"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.01268"
                        xFract="0.2789403"
                        y3="4.09012"
                        yFract="0.79118755"
                        z3="8.86035"
                        zFract="0.34647629"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.50874"
                        xFract="0.7789405"
                        y3="1.50532"
                        yFract="0.29118716"
                        z3="8.86035"
                        zFract="0.3464763"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="6.99363"
                        xFract="0.7789393"
                        y3="4.09012"
                        yFract="0.79118755"
                        z3="9.04278"
                        zFract="0.34647623"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.28104"
                        xFract="0.29262348"
                        y3="2.67453"
                        yFract="0.51735764"
                        z3="10.53514"
                        zFract="0.41886936"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.79614"
                        xFract="0.292623"
                        y3="0.08973"
                        yFract="0.01735726"
                        z3="10.35271"
                        zFract="0.41886945"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.26199"
                        xFract="0.79262247"
                        y3="2.67453"
                        yFract="0.51735764"
                        z3="10.71757"
                        zFract="0.41886929"/>
                  <atom elementType="O"
                        id="a20"
                        x3="4.7771"
                        xFract="0.79262367"
                        y3="0.08973"
                        yFract="0.01735726"
                        z3="10.53514"
                        zFract="0.41886936"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.96615"
                        xFract="0.10984068"
                        y3="0.54187"
                        yFract="0.10481864"
                        z3="10.5895"
                        zFract="0.42997847"/>
                  <atom elementType="H"
                        id="a22"
                        x3="2.45105"
                        xFract="0.10984116"
                        y3="3.12667"
                        yFract="0.60481902"
                        z3="10.77193"
                        zFract="0.42997838"/>
                  <atom elementType="H"
                        id="a23"
                        x3="3.94711"
                        xFract="0.60984135"
                        y3="0.54187"
                        yFract="0.10481864"
                        z3="10.77193"
                        zFract="0.42997838"/>
                  <atom elementType="H"
                        id="a24"
                        x3="5.4320"
                        xFract="0.60984015"
                        y3="3.12667"
                        yFract="0.60481902"
                        z3="10.95436"
                        zFract="0.42997831"/>
               </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>
