<?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">2025-04-07T13:56:51.000</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="-0.76822998"
                        xFract="0.133797"
                        y3="-0.64300179"
                        yFract="0.133797"
                        z3="12.55297876"
                        zFract="0.24876288"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="-2.25870798"
                        xFract="0.133797"
                        y3="-0.64300179"
                        yFract="0.633797"
                        z3="24.68467526"
                        zFract="0.24876288"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="-0.76822998"
                        xFract="0.633797"
                        y3="-0.64300179"
                        yFract="0.133797"
                        z3="24.77589126"
                        zFract="0.24876288"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="-2.25870798"
                        xFract="0.633797"
                        y3="-0.64300179"
                        yFract="0.633797"
                        z3="36.90758776"
                        zFract="0.24876288"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="-1.36237146"
                        xFract="0.28409955"
                        y3="-0.89731534"
                        yFract="0.28409955"
                        z3="22.26132927"
                        zFract="0.34715105"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="-2.85284946"
                        xFract="0.28409955"
                        y3="-0.89731534"
                        yFract="0.78409955"
                        z3="34.39302577"
                        zFract="0.34715105"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="-1.36237146"
                        xFract="0.78409955"
                        y3="-0.89731534"
                        yFract="0.28409955"
                        z3="34.48424177"
                        zFract="0.34715105"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="-2.85284946"
                        xFract="0.78409955"
                        y3="-0.89731534"
                        yFract="0.78409955"
                        z3="46.61593827"
                        zFract="0.34715105"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-1.91544246"
                        xFract="0.44097974"
                        y3="-1.04600481"
                        yFract="0.44097974"
                        z3="31.29858262"
                        zFract="0.40467565"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-3.40592046"
                        xFract="0.44097974"
                        y3="-1.04600481"
                        yFract="0.94097974"
                        z3="43.43027912"
                        zFract="0.40467565"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-1.91544246"
                        xFract="0.94097974"
                        y3="-1.04600481"
                        yFract="0.44097974"
                        z3="43.52149512"
                        zFract="0.40467565"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-3.40592046"
                        xFract="0.94097974"
                        y3="-1.04600481"
                        yFract="0.94097974"
                        z3="55.65319162"
                        zFract="0.40467565"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" 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="a18 a19" order="S"/>
               </bondArray>
               <formula concise="O4Ag16">
                  <atomArray count="4 16" elementType="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">200.8000</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="2">PAW_PBE Ag 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Ag O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">107.868 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">16 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="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2112">-25.1810 -24.6869 -24.6866 -24.6866 -13.8094 -13.0726 -13.0535 -13.0535 -13.0524 -12.9613 -12.9500 -12.9500 -12.9500 -12.9125 -12.9125 -12.9111 -12.8206 -12.7583 -12.7583 -12.7580 -12.5912 -12.5895 -12.5895 -12.4456 -12.4456 -12.4444 -11.9925 -11.9925 -11.9920 -11.8725 -11.8703 -11.8685 -11.8685 -11.8676 -11.8434 -11.8434 -11.8412 -11.8091 -11.7830 -11.7811 -11.7126 -11.7073 -11.5526 -11.5512 -11.5045 -11.5045 -11.5007 -11.4839 -11.4393 -11.4363 -11.4363 -10.9822 -10.9630 -10.9524 -10.9524 -10.9512 -10.8752 -10.8733 -10.8733 -10.8170 -10.8149 -10.8149 -10.8118 -10.8093 -10.6530 -10.6488 -10.4871 -10.4859 -10.4859 -10.4213 -10.4116 -10.3701 -10.3672 -10.3672 -10.3188 -10.3140 -10.3140 -10.2452 -10.2452 -10.2426 -10.1309 -10.1309 -10.1309 -10.1309 -9.9964 -9.9964 -9.9963 -9.6464 -9.6464 -9.6446 -9.0256 -8.8734 -8.8716 -8.8716 -8.2415 -8.2384 -8.2384 -8.0590 -8.0548 -7.2385 -6.7631 -6.7631 -6.7471 -6.1183 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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"
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                           z3="1.64995"
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                           xFract="0.83604678"
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                           yFract="0.83604599"
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                           yFract="0.4409803"
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                           y3="4.86449"
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                           z3="10.57929"
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                     <bond atomRefs2="a3 a7" 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="0.94097102"
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                     <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="1.19518"
                           xFract="0.13381324"
                           y3="0.69176"
                           yFract="0.13381316"
                           z3="6.17946"
                           zFract="0.24878738"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68008"
                           xFract="0.13381371"
                           y3="3.27656"
                           yFract="0.63381355"
                           z3="6.36189"
                           zFract="0.24878729"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17614"
                           xFract="0.63381391"
                           y3="0.69176"
                           yFract="0.13381316"
                           z3="6.36189"
                           zFract="0.24878729"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66103"
                           xFract="0.63381271"
                           y3="3.27656"
                           yFract="0.63381355"
                           z3="6.54433"
                           zFract="0.24878763"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53773"
                           xFract="0.28412579"
                           y3="1.46882"
                           yFract="0.28412665"
                           z3="8.68795"
                           zFract="0.34691466"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02263"
                           xFract="0.28412627"
                           y3="4.05362"
                           yFract="0.78412704"
                           z3="8.87038"
                           zFract="0.34691457"/>
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                           x3="5.51869"
                           xFract="0.78412646"
                           y3="1.46882"
                           yFract="0.28412665"
                           z3="8.87038"
                           zFract="0.34691457"/>
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                           id="a16"
                           x3="7.00358"
                           xFract="0.78412526"
                           y3="4.05362"
                           yFract="0.78412704"
                           z3="9.05281"
                           zFract="0.3469145"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93838"
                           xFract="0.44094401"
                           y3="2.2795"
                           yFract="0.44094355"
                           z3="10.21959"
                           zFract="0.40488799"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42327"
                           xFract="0.44094281"
                           y3="4.8643"
                           yFract="0.94094393"
                           z3="10.40203"
                           zFract="0.40488833"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91933"
                           xFract="0.940943"
                           y3="2.2795"
                           yFract="0.44094355"
                           z3="10.40203"
                           zFract="0.40488833"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40423"
                           xFract="0.94094348"
                           y3="4.8643"
                           yFract="0.94094393"
                           z3="10.58446"
                           zFract="0.40488824"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.1954"
                           xFract="0.13383857"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18038"
                           zFract="0.24882429"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68029"
                           xFract="0.13383737"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36281"
                           zFract="0.24882422"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17635"
                           xFract="0.63383757"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36281"
                           zFract="0.24882422"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66125"
                           xFract="0.63383805"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54524"
                           zFract="0.24882413"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53809"
                           xFract="0.28416594"
                           y3="1.46903"
                           yFract="0.28416727"
                           z3="8.6793"
                           zFract="0.34655961"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02299"
                           xFract="0.28416738"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86173"
                           zFract="0.34655953"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51905"
                           xFract="0.78416661"
                           y3="1.46903"
                           yFract="0.28416727"
                           z3="8.86173"
                           zFract="0.34655952"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00394"
                           xFract="0.78416637"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04417"
                           zFract="0.34655988"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93789"
                           xFract="0.4408888"
                           y3="2.27922"
                           yFract="0.44088938"
                           z3="10.22735"
                           zFract="0.40520706"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42279"
                           xFract="0.44088928"
                           y3="4.86402"
                           yFract="0.94088977"
                           z3="10.40978"
                           zFract="0.40520697"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91885"
                           xFract="0.94088947"
                           y3="2.27922"
                           yFract="0.44088938"
                           z3="10.40978"
                           zFract="0.40520697"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40375"
                           xFract="0.94088995"
                           y3="4.86402"
                           yFract="0.94088977"
                           z3="10.59221"
                           zFract="0.40520687"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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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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                           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="1.19538"
                           xFract="0.13383522"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18032"
                           zFract="0.24882189"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36276"
                           zFract="0.2488222"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36276"
                           zFract="0.2488222"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66123"
                           xFract="0.63383469"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54519"
                           zFract="0.24882213"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53807"
                           xFract="0.28416451"
                           y3="1.46901"
                           yFract="0.2841634"
                           z3="8.67983"
                           zFract="0.34658137"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02297"
                           xFract="0.28416499"
                           y3="4.05381"
                           yFract="0.78416379"
                           z3="8.86226"
                           zFract="0.34658128"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51903"
                           xFract="0.78416518"
                           y3="1.46901"
                           yFract="0.2841634"
                           z3="8.86226"
                           zFract="0.34658128"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00392"
                           xFract="0.78416398"
                           y3="4.05381"
                           yFract="0.78416379"
                           z3="9.04469"
                           zFract="0.34658121"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93792"
                           xFract="0.44089191"
                           y3="2.27924"
                           yFract="0.44089325"
                           z3="10.22687"
                           zFract="0.40518732"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42282"
                           xFract="0.44089238"
                           y3="4.86404"
                           yFract="0.94089364"
                           z3="10.40931"
                           zFract="0.40518764"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91888"
                           xFract="0.94089258"
                           y3="2.27924"
                           yFract="0.44089325"
                           z3="10.40931"
                           zFract="0.40518764"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40378"
                           xFract="0.94089305"
                           y3="4.86404"
                           yFract="0.94089364"
                           z3="10.59174"
                           zFract="0.40518754"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18034"
                           zFract="0.24882268"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36277"
                           zFract="0.24882261"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36277"
                           zFract="0.24882261"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.5452"
                           zFract="0.24882252"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67967"
                           zFract="0.34657479"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02297"
                           xFract="0.28416402"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86211"
                           zFract="0.34657513"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51903"
                           xFract="0.78416422"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.86211"
                           zFract="0.34657513"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04454"
                           zFract="0.34657504"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.22701"
                           zFract="0.40519309"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42281"
                           xFract="0.44089167"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40944"
                           zFract="0.40519299"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91887"
                           xFract="0.94089186"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40944"
                           zFract="0.405193"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40377"
                           xFract="0.94089234"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59188"
                           zFract="0.40519331"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18036"
                           zFract="0.2488235"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68029"
                           xFract="0.13383737"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36279"
                           zFract="0.2488234"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17635"
                           xFract="0.63383757"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36279"
                           zFract="0.2488234"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54523"
                           zFract="0.24882374"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67947"
                           zFract="0.34656661"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02298"
                           xFract="0.2841657"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.8619"
                           zFract="0.34656651"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51904"
                           xFract="0.78416589"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.8619"
                           zFract="0.34656652"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00394"
                           xFract="0.78416637"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04434"
                           zFract="0.34656683"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9379"
                           xFract="0.44088951"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.22719"
                           zFract="0.40520048"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.4228"
                           xFract="0.44089096"
                           y3="4.86402"
                           yFract="0.94088977"
                           z3="10.40963"
                           zFract="0.4052008"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91886"
                           xFract="0.94089019"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40963"
                           zFract="0.40520079"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089163"
                           y3="4.86402"
                           yFract="0.94088977"
                           z3="10.59206"
                           zFract="0.40520071"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54521"
                           zFract="0.24882293"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67963"
                           zFract="0.34657315"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02297"
                           xFract="0.28416402"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86206"
                           zFract="0.34657308"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51903"
                           xFract="0.78416422"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.86206"
                           zFract="0.34657309"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04449"
                           zFract="0.34657299"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.22706"
                           zFract="0.40519513"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42281"
                           xFract="0.44089167"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40949"
                           zFract="0.40519504"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91887"
                           xFract="0.94089186"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40949"
                           zFract="0.40519504"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59192"
                           zFract="0.40519497"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="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>
                  </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="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68029"
                           xFract="0.13383737"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36279"
                           zFract="0.2488234"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17635"
                           xFract="0.63383757"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36279"
                           zFract="0.2488234"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54522"
                           zFract="0.24882334"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67955"
                           zFract="0.34656988"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02298"
                           xFract="0.2841657"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86198"
                           zFract="0.34656979"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51904"
                           xFract="0.78416589"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.86198"
                           zFract="0.34656979"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04441"
                           zFract="0.34656972"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.22712"
                           zFract="0.40519759"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.4228"
                           xFract="0.44088999"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40956"
                           zFract="0.40519793"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91886"
                           xFract="0.94089019"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40956"
                           zFract="0.40519793"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59199"
                           zFract="0.40519783"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="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>
                  </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="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54521"
                           zFract="0.24882293"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67961"
                           zFract="0.34657233"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02297"
                           xFract="0.28416402"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86204"
                           zFract="0.34657226"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51903"
                           xFract="0.78416422"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.86204"
                           zFract="0.34657227"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04447"
                           zFract="0.34657217"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.22707"
                           zFract="0.40519554"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42281"
                           xFract="0.44089167"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.4095"
                           zFract="0.40519545"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91887"
                           xFract="0.94089186"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.4095"
                           zFract="0.40519545"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59193"
                           zFract="0.40519538"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="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="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54521"
                           zFract="0.24882293"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67958"
                           zFract="0.34657111"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02298"
                           xFract="0.2841657"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86201"
                           zFract="0.34657101"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51904"
                           xFract="0.78416589"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.86201"
                           zFract="0.34657102"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04444"
                           zFract="0.34657095"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.2271"
                           zFract="0.40519677"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42281"
                           xFract="0.44089167"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40953"
                           zFract="0.40519667"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91887"
                           xFract="0.94089186"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40953"
                           zFract="0.40519668"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59196"
                           zFract="0.40519661"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="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="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54522"
                           zFract="0.24882334"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67956"
                           zFract="0.34657029"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02298"
                           xFract="0.2841657"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.8620"
                           zFract="0.3465706"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51904"
                           xFract="0.78416589"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.8620"
                           zFract="0.34657061"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04443"
                           zFract="0.34657054"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.22711"
                           zFract="0.40519718"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.4228"
                           xFract="0.44088999"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40954"
                           zFract="0.40519711"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91886"
                           xFract="0.94089019"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40954"
                           zFract="0.40519711"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59198"
                           zFract="0.40519743"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54521"
                           zFract="0.24882293"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67958"
                           zFract="0.34657111"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02298"
                           xFract="0.2841657"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86201"
                           zFract="0.34657101"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51904"
                           xFract="0.78416589"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.86201"
                           zFract="0.34657102"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04444"
                           zFract="0.34657095"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.2271"
                           zFract="0.40519677"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42281"
                           xFract="0.44089167"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40953"
                           zFract="0.40519667"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91887"
                           xFract="0.94089186"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40953"
                           zFract="0.40519668"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59196"
                           zFract="0.40519661"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54522"
                           zFract="0.24882334"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67957"
                           zFract="0.3465707"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02298"
                           xFract="0.2841657"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.8620"
                           zFract="0.3465706"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51904"
                           xFract="0.78416589"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.8620"
                           zFract="0.34657061"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04443"
                           zFract="0.34657054"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.22711"
                           zFract="0.40519718"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42281"
                           xFract="0.44089167"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40954"
                           zFract="0.40519708"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91887"
                           xFract="0.94089186"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40954"
                           zFract="0.40519709"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59197"
                           zFract="0.40519702"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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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"/>
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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="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54522"
                           zFract="0.24882334"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67958"
                           zFract="0.34657111"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02298"
                           xFract="0.2841657"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86201"
                           zFract="0.34657101"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51904"
                           xFract="0.78416589"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.86201"
                           zFract="0.34657102"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04444"
                           zFract="0.34657095"/>
                     <atom elementType="O"
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                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.2271"
                           zFract="0.40519677"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42281"
                           xFract="0.44089167"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40953"
                           zFract="0.40519667"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91887"
                           xFract="0.94089186"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40953"
                           zFract="0.40519668"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59196"
                           zFract="0.40519661"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19539"
                           xFract="0.1338369"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.18035"
                           zFract="0.24882309"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68028"
                           xFract="0.1338357"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17634"
                           xFract="0.63383589"
                           y3="0.69188"
                           yFract="0.13383638"
                           z3="6.36278"
                           zFract="0.24882302"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66124"
                           xFract="0.63383637"
                           y3="3.27668"
                           yFract="0.63383676"
                           z3="6.54522"
                           zFract="0.24882334"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53808"
                           xFract="0.28416522"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.67957"
                           zFract="0.3465707"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02298"
                           xFract="0.2841657"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="8.86201"
                           zFract="0.34657101"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51904"
                           xFract="0.78416589"
                           y3="1.46902"
                           yFract="0.28416534"
                           z3="8.86201"
                           zFract="0.34657102"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00393"
                           xFract="0.78416469"
                           y3="4.05382"
                           yFract="0.78416573"
                           z3="9.04444"
                           zFract="0.34657095"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93791"
                           xFract="0.44089119"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.2271"
                           zFract="0.40519677"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42281"
                           xFract="0.44089167"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.40954"
                           zFract="0.40519708"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91887"
                           xFract="0.94089186"
                           y3="2.27923"
                           yFract="0.44089132"
                           z3="10.40954"
                           zFract="0.40519709"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40376"
                           xFract="0.94089066"
                           y3="4.86403"
                           yFract="0.94089171"
                           z3="10.59197"
                           zFract="0.40519702"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <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="1.19555"
                           xFract="0.13385506"
                           y3="0.69197"
                           yFract="0.13385379"
                           z3="6.17968"
                           zFract="0.24879515"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68044"
                           xFract="0.13385386"
                           y3="3.27677"
                           yFract="0.63385417"
                           z3="6.36211"
                           zFract="0.24879508"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.1765"
                           xFract="0.63385405"
                           y3="0.69197"
                           yFract="0.13385379"
                           z3="6.36211"
                           zFract="0.24879508"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6614"
                           xFract="0.63385453"
                           y3="3.27677"
                           yFract="0.63385417"
                           z3="6.54454"
                           zFract="0.24879499"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53811"
                           xFract="0.28416929"
                           y3="1.46903"
                           yFract="0.28416727"
                           z3="8.67971"
                           zFract="0.34657634"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0230"
                           xFract="0.28416809"
                           y3="4.05383"
                           yFract="0.78416766"
                           z3="8.86214"
                           zFract="0.34657627"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51906"
                           xFract="0.78416828"
                           y3="1.46903"
                           yFract="0.28416727"
                           z3="8.86214"
                           zFract="0.34657627"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00396"
                           xFract="0.78416876"
                           y3="4.05383"
                           yFract="0.78416766"
                           z3="9.04457"
                           zFract="0.34657617"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93775"
                           xFract="0.44087303"
                           y3="2.27914"
                           yFract="0.44087391"
                           z3="10.22751"
                           zFract="0.40521407"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42265"
                           xFract="0.44087351"
                           y3="4.86394"
                           yFract="0.9408743"
                           z3="10.40994"
                           zFract="0.40521398"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91871"
                           xFract="0.9408737"
                           y3="2.27914"
                           yFract="0.44087391"
                           z3="10.40994"
                           zFract="0.40521398"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40361"
                           xFract="0.94087418"
                           y3="4.86394"
                           yFract="0.9408743"
                           z3="10.59237"
                           zFract="0.40521389"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1789.8887999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="1.19603"
                           xFract="0.13390859"
                           y3="0.69225"
                           yFract="0.13390795"
                           z3="6.17765"
                           zFract="0.2487105"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68092"
                           xFract="0.13390739"
                           y3="3.27705"
                           yFract="0.63390834"
                           z3="6.36008"
                           zFract="0.24871043"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17698"
                           xFract="0.63390759"
                           y3="0.69225"
                           yFract="0.13390795"
                           z3="6.36008"
                           zFract="0.24871043"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66188"
                           xFract="0.63390806"
                           y3="3.27705"
                           yFract="0.63390834"
                           z3="6.54251"
                           zFract="0.24871034"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53819"
                           xFract="0.28417789"
                           y3="1.46908"
                           yFract="0.28417695"
                           z3="8.68012"
                           zFract="0.34659283"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02308"
                           xFract="0.28417669"
                           y3="4.05388"
                           yFract="0.78417733"
                           z3="8.86255"
                           zFract="0.34659276"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51914"
                           xFract="0.78417689"
                           y3="1.46908"
                           yFract="0.28417695"
                           z3="8.86255"
                           zFract="0.34659277"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00404"
                           xFract="0.78417736"
                           y3="4.05388"
                           yFract="0.78417733"
                           z3="9.04498"
                           zFract="0.34659267"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93729"
                           xFract="0.44082189"
                           y3="2.27887"
                           yFract="0.44082168"
                           z3="10.22872"
                           zFract="0.40526511"/>
                     <atom elementType="O"
                           id="a18"
                           x3="5.42219"
                           xFract="0.44082237"
                           y3="4.86367"
                           yFract="0.94082207"
                           z3="10.41115"
                           zFract="0.40526502"/>
                     <atom elementType="O"
                           id="a19"
                           x3="6.91825"
                           xFract="0.94082256"
                           y3="2.27887"
                           yFract="0.44082168"
                           z3="10.41115"
                           zFract="0.40526502"/>
                     <atom elementType="O"
                           id="a20"
                           x3="8.40314"
                           xFract="0.94082136"
                           y3="4.86367"
                           yFract="0.94082207"
                           z3="10.59359"
                           zFract="0.40526536"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O4Ag16">
                     <atomArray count="4 16" elementType="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="20">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="20">0.005 0.005 0.005 0.005 0.000 0.000 0.000 0.000 0.003 0.003 0.003 0.003 -0.014 -0.014 -0.014 -0.014 0.010 0.010 0.010 0.010</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="20">0.004 0.004 0.004 0.004 0.002 0.002 0.002 0.002 0.003 0.003 0.003 0.003 -0.007 -0.007 -0.007 -0.007 0.726 0.726 0.726 0.726</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="20">0.001 0.001 0.001 0.001 0.003 0.003 0.003 0.003 0.001 0.001 0.001 0.001 0.177 0.177 0.177 0.177 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="20">0.009 0.009 0.009 0.009 0.005 0.005 0.005 0.005 0.007 0.007 0.007 0.007 0.156 0.156 0.156 0.156 0.735 0.735 0.735 0.735</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.016</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.910</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.726</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">3.651</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-34.40873365</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-34.39188815</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-34.40311849</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-7.1729</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2698788E-03</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="1.19603"
                        xFract="0.13390859"
                        y3="0.69225"
                        yFract="0.13390795"
                        z3="6.17765"
                        zFract="0.2487105"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.68092"
                        xFract="0.13390739"
                        y3="3.27705"
                        yFract="0.63390834"
                        z3="6.36008"
                        zFract="0.24871043"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.17698"
                        xFract="0.63390759"
                        y3="0.69225"
                        yFract="0.13390795"
                        z3="6.36008"
                        zFract="0.24871043"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.66188"
                        xFract="0.63390806"
                        y3="3.27705"
                        yFract="0.63390834"
                        z3="6.54251"
                        zFract="0.24871034"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.53819"
                        xFract="0.28417789"
                        y3="1.46908"
                        yFract="0.28417695"
                        z3="8.68012"
                        zFract="0.34659283"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.02308"
                        xFract="0.28417669"
                        y3="4.05388"
                        yFract="0.78417733"
                        z3="8.86255"
                        zFract="0.34659276"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.51914"
                        xFract="0.78417689"
                        y3="1.46908"
                        yFract="0.28417695"
                        z3="8.86255"
                        zFract="0.34659277"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.00404"
                        xFract="0.78417736"
                        y3="4.05388"
                        yFract="0.78417733"
                        z3="9.04498"
                        zFract="0.34659267"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.93729"
                        xFract="0.44082189"
                        y3="2.27887"
                        yFract="0.44082168"
                        z3="10.22872"
                        zFract="0.40526511"/>
                  <atom elementType="O"
                        id="a18"
                        x3="5.42219"
                        xFract="0.44082237"
                        y3="4.86367"
                        yFract="0.94082207"
                        z3="10.41115"
                        zFract="0.40526502"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.91825"
                        xFract="0.94082256"
                        y3="2.27887"
                        yFract="0.44082168"
                        z3="10.41115"
                        zFract="0.40526502"/>
                  <atom elementType="O"
                        id="a20"
                        x3="8.40314"
                        xFract="0.94082136"
                        y3="4.86367"
                        yFract="0.94082207"
                        z3="10.59359"
                        zFract="0.40526536"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a3" 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 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="O4Ag16">
                  <atomArray count="4 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1789.8887999999993</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
