<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">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">2025-04-07T11:54:59.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <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="3.0014634"
                        xFract="0.336046"
                        y3="1.73722206"
                        yFract="0.336046"
                        z3="1.46751343"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="4.4863594"
                        xFract="0.336046"
                        y3="4.32202006"
                        yFract="0.836046"
                        z3="1.64994543"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.9824194"
                        xFract="0.836046"
                        y3="1.73722206"
                        yFract="0.336046"
                        z3="1.64994543"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.4673154"
                        xFract="0.836046"
                        y3="4.32202006"
                        yFract="0.836046"
                        z3="1.83237743"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.34121007"
                        xFract="0.486045"
                        y3="2.51265629"
                        yFract="0.486045"
                        z3="4.0215544"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="5.82610607"
                        xFract="0.486045"
                        y3="5.09745429"
                        yFract="0.986045"
                        z3="4.2039864"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32216607"
                        xFract="0.986045"
                        y3="2.51265629"
                        yFract="0.486045"
                        z3="4.2039864"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="8.80706207"
                        xFract="0.986045"
                        y3="5.09745429"
                        yFract="0.986045"
                        z3="4.3864184"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="1.19191758"
                        xFract="0.13210679"
                        y3="0.70379061"
                        yFract="0.13614035"
                        z3="6.18210686"
                        zFract="0.24888639"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.68352726"
                        xFract="0.13176728"
                        y3="3.30379875"
                        yFract="0.63908258"
                        z3="6.3675153"
                        zFract="0.2489693"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.1863911"
                        xFract="0.63426835"
                        y3="0.70488811"
                        yFract="0.13635265"
                        z3="6.36689301"
                        zFract="0.24894726"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.66718796"
                        xFract="0.63313016"
                        y3="3.29436284"
                        yFract="0.63725731"
                        z3="6.52269457"
                        zFract="0.24786138"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.54254516"
                        xFract="0.28163934"
                        y3="1.50300638"
                        yFract="0.29073962"
                        z3="8.67969262"
                        zFract="0.34651529"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="3.97251094"
                        xFract="0.26939763"
                        y3="4.11923107"
                        yFract="0.79681876"
                        z3="8.8883709"
                        zFract="0.34768092"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.52193526"
                        xFract="0.78895806"
                        y3="1.42432647"
                        yFract="0.27551988"
                        z3="8.88849785"
                        zFract="0.34771206"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.06270015"
                        xFract="0.78829339"
                        y3="4.11327492"
                        yFract="0.79566661"
                        z3="9.07716592"
                        zFract="0.34767638"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.96981965"
                        xFract="0.44142508"
                        y3="2.32923525"
                        yFract="0.45056427"
                        z3="10.16005298"
                        zFract="0.40230175"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.90707283"
                        xFract="0.93481666"
                        y3="2.32174316"
                        yFract="0.44911501"
                        z3="10.34425011"
                        zFract="0.40249422"/>
                  <atom elementType="O"
                        id="a19"
                        x3="5.43767309"
                        xFract="0.44082827"
                        y3="4.89056054"
                        yFract="0.94602374"
                        z3="10.34570677"
                        zFract="0.40251022"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                  <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="O3Ag16">
                  <atomArray count="3 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1773.8893999999993</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <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="3.0014634"
                        xFract="0.336046"
                        y3="1.73722206"
                        yFract="0.336046"
                        z3="1.46751343"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="4.4863594"
                        xFract="0.336046"
                        y3="4.32202006"
                        yFract="0.836046"
                        z3="1.64994543"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.9824194"
                        xFract="0.836046"
                        y3="1.73722206"
                        yFract="0.336046"
                        z3="1.64994543"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.4673154"
                        xFract="0.836046"
                        y3="4.32202006"
                        yFract="0.836046"
                        z3="1.83237743"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.34121007"
                        xFract="0.486045"
                        y3="2.51265629"
                        yFract="0.486045"
                        z3="4.0215544"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="5.82610607"
                        xFract="0.486045"
                        y3="5.09745429"
                        yFract="0.986045"
                        z3="4.2039864"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32216607"
                        xFract="0.986045"
                        y3="2.51265629"
                        yFract="0.486045"
                        z3="4.2039864"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="8.80706207"
                        xFract="0.986045"
                        y3="5.09745429"
                        yFract="0.986045"
                        z3="4.3864184"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="1.1919176"
                        xFract="0.13210679"
                        y3="0.70379063"
                        yFract="0.13614035"
                        z3="6.18210689"
                        zFract="0.24888639"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.68352728"
                        xFract="0.13176728"
                        y3="3.30379875"
                        yFract="0.63908258"
                        z3="6.3675154"
                        zFract="0.2489693"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.1863911"
                        xFract="0.63426835"
                        y3="0.7048881"
                        yFract="0.13635265"
                        z3="6.36689291"
                        zFract="0.24894726"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.66718798"
                        xFract="0.63313016"
                        y3="3.29436285"
                        yFract="0.63725731"
                        z3="6.52269448"
                        zFract="0.24786138"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.54254518"
                        xFract="0.28163934"
                        y3="1.50300637"
                        yFract="0.29073962"
                        z3="8.67969264"
                        zFract="0.34651529"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="3.97251096"
                        xFract="0.26939763"
                        y3="4.11923108"
                        yFract="0.79681876"
                        z3="8.88837081"
                        zFract="0.34768092"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.52193525"
                        xFract="0.78895806"
                        y3="1.42432644"
                        yFract="0.27551988"
                        z3="8.88849794"
                        zFract="0.34771206"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.06270015"
                        xFract="0.78829339"
                        y3="4.11327495"
                        yFract="0.79566662"
                        z3="9.0771659"
                        zFract="0.34767638"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.96981964"
                        xFract="0.44142508"
                        y3="2.32923525"
                        yFract="0.45056427"
                        z3="10.16005298"
                        zFract="0.40230175"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.9070728"
                        xFract="0.93481666"
                        y3="2.32174315"
                        yFract="0.44911501"
                        z3="10.34425013"
                        zFract="0.40249422"/>
                  <atom elementType="O"
                        id="a19"
                        x3="5.43767305"
                        xFract="0.44082826"
                        y3="4.89056054"
                        yFract="0.94602374"
                        z3="10.3457067"
                        zFract="0.40251022"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                  <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="O3Ag16">
                  <atomArray count="3 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1773.8893999999993</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">195.1640</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 3</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>
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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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                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
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                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
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                           y3="2.51266"
                           yFract="0.48604572"
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                           y3="0.70379"
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                           y3="3.3038"
                           yFract="0.63908282"
                           z3="6.36752"
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                           y3="0.70489"
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                           z3="6.36689"
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                           y3="3.29436"
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                           z3="6.52269"
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                           y3="1.50301"
                           yFract="0.29074032"
                           z3="8.67969"
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                           x3="3.97251"
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                           y3="4.11923"
                           yFract="0.79681855"
                           z3="8.88837"
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                           x3="5.52194"
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                           y3="1.42433"
                           yFract="0.27552056"
                           z3="8.8885"
                           zFract="0.34771213"/>
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                           x3="7.0627"
                           xFract="0.78829384"
                           y3="4.11327"
                           yFract="0.79566566"
                           z3="9.07717"
                           zFract="0.34767655"/>
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                           x3="3.96982"
                           xFract="0.44142468"
                           y3="2.32924"
                           yFract="0.45056519"
                           z3="10.16005"
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                           x3="6.90707"
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                           y3="2.32174"
                           yFract="0.4491144"
                           z3="10.34425"
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                           x3="5.43767"
                           xFract="0.4408278"
                           y3="4.89056"
                           yFract="0.94602364"
                           z3="10.34571"
                           zFract="0.40251036"/>
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                     <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"/>
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                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
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                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
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                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           yFract="0.3360456"
                           z3="1.64995"
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                           x3="2.54269"
                           xFract="0.28164883"
                           y3="1.50316"
                           yFract="0.29076934"
                           z3="8.67744"
                           zFract="0.34642256"/>
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                           id="a14"
                           x3="3.97224"
                           xFract="0.26932627"
                           y3="4.1195"
                           yFract="0.79687078"
                           z3="8.88575"
                           zFract="0.347574"/>
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                           id="a15"
                           x3="5.52213"
                           xFract="0.78902411"
                           y3="1.42398"
                           yFract="0.27545286"
                           z3="8.88591"
                           zFract="0.34760621"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0633"
                           xFract="0.78836172"
                           y3="4.11361"
                           yFract="0.79573143"
                           z3="9.07467"
                           zFract="0.34757229"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.96948"
                           xFract="0.44138018"
                           y3="2.32911"
                           yFract="0.45054004"
                           z3="10.16332"
                           zFract="0.40243643"/>
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                           id="a18"
                           x3="6.90705"
                           xFract="0.9348247"
                           y3="2.32162"
                           yFract="0.44909119"
                           z3="10.34745"
                           zFract="0.40262535"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43752"
                           xFract="0.44079879"
                           y3="4.8906"
                           yFract="0.94603137"
                           z3="10.34895"
                           zFract="0.40264322"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19261"
                           xFract="0.1321883"
                           y3="0.70415"
                           yFract="0.13620987"
                           z3="6.18295"
                           zFract="0.24891863"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68356"
                           xFract="0.1318401"
                           y3="3.3031"
                           yFract="0.63894741"
                           z3="6.36821"
                           zFract="0.24899865"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18573"
                           xFract="0.63414283"
                           y3="0.70504"
                           yFract="0.13638203"
                           z3="6.36768"
                           zFract="0.24898089"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66721"
                           xFract="0.63314762"
                           y3="3.29422"
                           yFract="0.63722968"
                           z3="6.52319"
                           zFract="0.2478818"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54312"
                           xFract="0.28167856"
                           y3="1.5036"
                           yFract="0.29085445"
                           z3="8.6707"
                           zFract="0.34614513"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.97144"
                           xFract="0.269115"
                           y3="4.1203"
                           yFract="0.79702553"
                           z3="8.87788"
                           zFract="0.3472529"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52271"
                           xFract="0.78922064"
                           y3="1.42295"
                           yFract="0.27525362"
                           z3="8.87815"
                           zFract="0.34728882"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.06509"
                           xFract="0.78856656"
                           y3="4.1146"
                           yFract="0.79592293"
                           z3="9.06718"
                           zFract="0.34725999"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.96847"
                           xFract="0.44124546"
                           y3="2.32875"
                           yFract="0.4504704"
                           z3="10.17313"
                           zFract="0.40284077"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90699"
                           xFract="0.93485125"
                           y3="2.32124"
                           yFract="0.44901768"
                           z3="10.35705"
                           zFract="0.40301876"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43705"
                           xFract="0.44070936"
                           y3="4.89071"
                           yFract="0.94605265"
                           z3="10.3587"
                           zFract="0.40304307"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a6"
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <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="1.19366"
                           xFract="0.13231335"
                           y3="0.70468"
                           yFract="0.13631239"
                           z3="6.18421"
                           zFract="0.24896677"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68362"
                           xFract="0.13195038"
                           y3="3.30206"
                           yFract="0.63874624"
                           z3="6.36926"
                           zFract="0.24904296"/>
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                           id="a11"
                           x3="4.18475"
                           xFract="0.63395533"
                           y3="0.70528"
                           yFract="0.13642846"
                           z3="6.36887"
                           zFract="0.24903167"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66724"
                           xFract="0.63317192"
                           y3="3.29402"
                           yFract="0.63719099"
                           z3="6.52392"
                           zFract="0.24791187"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54398"
                           xFract="0.28173609"
                           y3="1.5045"
                           yFract="0.29102854"
                           z3="8.65721"
                           zFract="0.34558984"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.96984"
                           xFract="0.2686915"
                           y3="4.12191"
                           yFract="0.79733697"
                           z3="8.86214"
                           zFract="0.3466107"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52387"
                           xFract="0.78961274"
                           y3="1.4209"
                           yFract="0.27485707"
                           z3="8.86264"
                           zFract="0.34665442"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.06868"
                           xFract="0.78897697"
                           y3="4.11659"
                           yFract="0.79630787"
                           z3="9.0522"
                           zFract="0.34663533"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.96644"
                           xFract="0.4409753"
                           y3="2.32802"
                           yFract="0.45032919"
                           z3="10.19274"
                           zFract="0.40364909"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90686"
                           xFract="0.93490364"
                           y3="2.32047"
                           yFract="0.44886873"
                           z3="10.37625"
                           zFract="0.40380561"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43611"
                           xFract="0.44053145"
                           y3="4.89092"
                           yFract="0.94609327"
                           z3="10.37818"
                           zFract="0.40384199"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
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                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           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="1.19342"
                           xFract="0.13228466"
                           y3="0.70456"
                           yFract="0.13628918"
                           z3="6.18392"
                           zFract="0.24895568"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.6836"
                           xFract="0.1319239"
                           y3="3.3023"
                           yFract="0.63879266"
                           z3="6.36902"
                           zFract="0.24903284"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18497"
                           xFract="0.63399801"
                           y3="0.70522"
                           yFract="0.13641685"
                           z3="6.3686"
                           zFract="0.24902016"/>
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                           id="a12"
                           x3="5.66724"
                           xFract="0.63316807"
                           y3="3.29406"
                           yFract="0.63719873"
                           z3="6.52375"
                           zFract="0.24790486"/>
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                           id="a13"
                           x3="2.54378"
                           xFract="0.28172181"
                           y3="1.5043"
                           yFract="0.29098986"
                           z3="8.66028"
                           zFract="0.34571622"/>
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                           id="a14"
                           x3="3.9702"
                           xFract="0.26878657"
                           y3="4.12155"
                           yFract="0.79726733"
                           z3="8.86572"
                           zFract="0.34675677"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5236"
                           xFract="0.78952313"
                           y3="1.42136"
                           yFract="0.27494605"
                           z3="8.86617"
                           zFract="0.34679883"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.06786"
                           xFract="0.78888375"
                           y3="4.11613"
                           yFract="0.79621889"
                           z3="9.05561"
                           zFract="0.34677754"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.96691"
                           xFract="0.44103872"
                           y3="2.32818"
                           yFract="0.45036014"
                           z3="10.18828"
                           zFract="0.40346524"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90689"
                           xFract="0.93489133"
                           y3="2.32065"
                           yFract="0.44890355"
                           z3="10.37189"
                           zFract="0.40362692"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43632"
                           xFract="0.4405715"
                           y3="4.89087"
                           yFract="0.9460836"
                           z3="10.37375"
                           zFract="0.40366032"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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"/>
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                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19403"
                           xFract="0.13235999"
                           y3="0.70484"
                           yFract="0.13634334"
                           z3="6.18303"
                           zFract="0.24891734"/>
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                           id="a10"
                           x3="2.68383"
                           xFract="0.13199234"
                           y3="3.30199"
                           yFract="0.6387327"
                           z3="6.36806"
                           zFract="0.24899344"/>
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                           id="a11"
                           x3="4.18478"
                           xFract="0.63394398"
                           y3="0.70545"
                           yFract="0.13646134"
                           z3="6.36764"
                           zFract="0.24898104"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66737"
                           xFract="0.63319277"
                           y3="3.29403"
                           yFract="0.63719293"
                           z3="6.52349"
                           zFract="0.24789394"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54378"
                           xFract="0.28171892"
                           y3="1.50433"
                           yFract="0.29099566"
                           z3="8.66116"
                           zFract="0.34575217"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.97339"
                           xFract="0.26950182"
                           y3="4.11968"
                           yFract="0.7969056"
                           z3="8.86485"
                           zFract="0.3467159"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52345"
                           xFract="0.78912796"
                           y3="1.4252"
                           yFract="0.27568885"
                           z3="8.86508"
                           zFract="0.34674905"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.06502"
                           xFract="0.78856349"
                           y3="4.11451"
                           yFract="0.79590552"
                           z3="9.05449"
                           zFract="0.34674118"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.96625"
                           xFract="0.44091453"
                           y3="2.32832"
                           yFract="0.45038723"
                           z3="10.19041"
                           zFract="0.40355382"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90684"
                           xFract="0.9349263"
                           y3="2.3202"
                           yFract="0.4488165"
                           z3="10.3742"
                           zFract="0.40372219"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43579"
                           xFract="0.44052403"
                           y3="4.89044"
                           yFract="0.94600042"
                           z3="10.37548"
                           zFract="0.40373304"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
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                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           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="1.19585"
                           xFract="0.1325824"
                           y3="0.7057"
                           yFract="0.1365097"
                           z3="6.18036"
                           zFract="0.24880232"/>
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                           id="a10"
                           x3="2.6845"
                           xFract="0.1321953"
                           y3="3.30105"
                           yFract="0.63855087"
                           z3="6.36517"
                           zFract="0.24887491"/>
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                           x3="4.18419"
                           xFract="0.63378046"
                           y3="0.70612"
                           yFract="0.13659094"
                           z3="6.36475"
                           zFract="0.24886332"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66778"
                           xFract="0.63327021"
                           y3="3.29394"
                           yFract="0.63717552"
                           z3="6.5227"
                           zFract="0.24786073"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54379"
                           xFract="0.28171193"
                           y3="1.50442"
                           yFract="0.29101307"
                           z3="8.66381"
                           zFract="0.34586042"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98297"
                           xFract="0.27164732"
                           y3="4.11409"
                           yFract="0.79582428"
                           z3="8.86223"
                           zFract="0.34659285"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52297"
                           xFract="0.7879403"
                           y3="1.43669"
                           yFract="0.27791147"
                           z3="8.86184"
                           zFract="0.34660107"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.05648"
                           xFract="0.78759936"
                           y3="4.10965"
                           yFract="0.79496541"
                           z3="9.05113"
                           zFract="0.34663216"/>
                     <atom elementType="O"
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                           x3="3.96428"
                           xFract="0.44054363"
                           y3="2.32874"
                           yFract="0.45046847"
                           z3="10.19679"
                           zFract="0.40381913"/>
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                           id="a18"
                           x3="6.9067"
                           xFract="0.93503097"
                           y3="2.31887"
                           yFract="0.44855923"
                           z3="10.38113"
                           zFract="0.40400795"/>
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                           x3="5.43421"
                           xFract="0.44038332"
                           y3="4.88915"
                           yFract="0.94575089"
                           z3="10.38068"
                           zFract="0.40395158"/>
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                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
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                     <bond atomRefs2="a4 a8" order="S"/>
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                     <bond atomRefs2="a4 a7" order="S"/>
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                     <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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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="1.19949"
                           xFract="0.13302913"
                           y3="0.7074"
                           yFract="0.13683855"
                           z3="6.17501"
                           zFract="0.24857189"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68584"
                           xFract="0.13259928"
                           y3="3.29919"
                           yFract="0.63819107"
                           z3="6.35938"
                           zFract="0.2486374"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18302"
                           xFract="0.63345509"
                           y3="0.70746"
                           yFract="0.13685015"
                           z3="6.35897"
                           zFract="0.24862787"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6686"
                           xFract="0.63342606"
                           y3="3.29375"
                           yFract="0.63713876"
                           z3="6.52113"
                           zFract="0.24779473"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54379"
                           xFract="0.28169458"
                           y3="1.5046"
                           yFract="0.29104789"
                           z3="8.66912"
                           zFract="0.34607737"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.00212"
                           xFract="0.27593665"
                           y3="4.10291"
                           yFract="0.79366163"
                           z3="8.85699"
                           zFract="0.34634675"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52203"
                           xFract="0.78556642"
                           y3="1.45969"
                           yFract="0.28236056"
                           z3="8.85534"
                           zFract="0.3463042"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.03941"
                           xFract="0.78567374"
                           y3="4.09992"
                           yFract="0.79308325"
                           z3="9.04441"
                           zFract="0.3464141"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.96034"
                           xFract="0.43980375"
                           y3="2.32956"
                           yFract="0.45062709"
                           z3="10.20955"
                           zFract="0.40434978"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90643"
                           xFract="0.93524392"
                           y3="2.31619"
                           yFract="0.44804081"
                           z3="10.39499"
                           zFract="0.40457948"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43103"
                           xFract="0.44010046"
                           y3="4.88655"
                           yFract="0.94524795"
                           z3="10.39106"
                           zFract="0.40438792"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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="1.19727"
                           xFract="0.13275602"
                           y3="0.70637"
                           yFract="0.1366393"
                           z3="6.17826"
                           zFract="0.24871189"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68502"
                           xFract="0.13235286"
                           y3="3.30032"
                           yFract="0.63840966"
                           z3="6.3629"
                           zFract="0.24878181"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18373"
                           xFract="0.63365319"
                           y3="0.70664"
                           yFract="0.13669153"
                           z3="6.36249"
                           zFract="0.24877127"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6681"
                           xFract="0.63333159"
                           y3="3.29386"
                           yFract="0.63716004"
                           z3="6.52209"
                           zFract="0.24783509"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54379"
                           xFract="0.28170518"
                           y3="1.50449"
                           yFract="0.29102661"
                           z3="8.66589"
                           zFract="0.3459454"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99047"
                           xFract="0.27332735"
                           y3="4.10971"
                           yFract="0.79497702"
                           z3="8.86018"
                           zFract="0.34649656"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52261"
                           xFract="0.78701174"
                           y3="1.4457"
                           yFract="0.27965435"
                           z3="8.85929"
                           zFract="0.3464846"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0498"
                           xFract="0.78684604"
                           y3="4.10584"
                           yFract="0.79422841"
                           z3="9.0485"
                           zFract="0.34654682"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.96274"
                           xFract="0.44025449"
                           y3="2.32906"
                           yFract="0.45053037"
                           z3="10.20179"
                           zFract="0.40402705"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.9066"
                           xFract="0.93511538"
                           y3="2.31782"
                           yFract="0.44835612"
                           z3="10.38656"
                           zFract="0.40423185"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43296"
                           xFract="0.44027194"
                           y3="4.88813"
                           yFract="0.94555358"
                           z3="10.38475"
                           zFract="0.40412267"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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="1.19723"
                           xFract="0.13276183"
                           y3="0.70624"
                           yFract="0.13661416"
                           z3="6.17833"
                           zFract="0.24871504"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68548"
                           xFract="0.13240978"
                           y3="3.30053"
                           yFract="0.63845028"
                           z3="6.36276"
                           zFract="0.24877462"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18386"
                           xFract="0.63366536"
                           y3="0.70674"
                           yFract="0.13671088"
                           z3="6.36235"
                           zFract="0.24876507"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66849"
                           xFract="0.63337099"
                           y3="3.29413"
                           yFract="0.63721227"
                           z3="6.52012"
                           zFract="0.24775314"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54324"
                           xFract="0.28166111"
                           y3="1.50399"
                           yFract="0.29092989"
                           z3="8.67092"
                           zFract="0.34615327"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.9906"
                           xFract="0.27337036"
                           y3="4.10949"
                           yFract="0.79493446"
                           z3="8.85912"
                           zFract="0.34645319"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52308"
                           xFract="0.78701831"
                           y3="1.44645"
                           yFract="0.27979943"
                           z3="8.85911"
                           zFract="0.34647498"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04925"
                           xFract="0.78679329"
                           y3="4.10543"
                           yFract="0.7941491"
                           z3="9.04864"
                           zFract="0.34655452"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.96163"
                           xFract="0.44019261"
                           y3="2.32777"
                           yFract="0.45028083"
                           z3="10.20238"
                           zFract="0.40405584"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90743"
                           xFract="0.9353365"
                           y3="2.31697"
                           yFract="0.4481917"
                           z3="10.3865"
                           zFract="0.40422855"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43231"
                           xFract="0.44008197"
                           y3="4.88897"
                           yFract="0.94571607"
                           z3="10.38571"
                           zFract="0.40416235"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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="1.1971"
                           xFract="0.13277568"
                           y3="0.70587"
                           yFract="0.13654258"
                           z3="6.17855"
                           zFract="0.2487249"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68682"
                           xFract="0.13257673"
                           y3="3.30113"
                           yFract="0.63856634"
                           z3="6.36236"
                           zFract="0.24875404"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18422"
                           xFract="0.63369684"
                           y3="0.70704"
                           yFract="0.13676891"
                           z3="6.36196"
                           zFract="0.24874778"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66963"
                           xFract="0.63348801"
                           y3="3.2949"
                           yFract="0.63736122"
                           z3="6.51431"
                           zFract="0.2475115"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54162"
                           xFract="0.28153103"
                           y3="1.50252"
                           yFract="0.29064554"
                           z3="8.68581"
                           zFract="0.34676855"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99099"
                           xFract="0.27350129"
                           y3="4.10881"
                           yFract="0.79480292"
                           z3="8.85601"
                           zFract="0.34632598"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52447"
                           xFract="0.78703754"
                           y3="1.44867"
                           yFract="0.28022886"
                           z3="8.85858"
                           zFract="0.3464466"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04762"
                           xFract="0.78663552"
                           y3="4.10423"
                           yFract="0.79391697"
                           z3="9.04908"
                           zFract="0.34657833"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95834"
                           xFract="0.44001078"
                           y3="2.32393"
                           yFract="0.44953803"
                           z3="10.20413"
                           zFract="0.40414123"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90991"
                           xFract="0.93599433"
                           y3="2.31446"
                           yFract="0.44770617"
                           z3="10.38632"
                           zFract="0.40421861"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43039"
                           xFract="0.43951807"
                           y3="4.89148"
                           yFract="0.9462016"
                           z3="10.38856"
                           zFract="0.40428011"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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="1.19713"
                           xFract="0.13277397"
                           y3="0.70594"
                           yFract="0.13655613"
                           z3="6.1785"
                           zFract="0.24872268"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68654"
                           xFract="0.13254133"
                           y3="3.30101"
                           yFract="0.63854313"
                           z3="6.36245"
                           zFract="0.24875859"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18414"
                           xFract="0.6336892"
                           y3="0.70698"
                           yFract="0.1367573"
                           z3="6.36205"
                           zFract="0.24875175"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66939"
                           xFract="0.63346317"
                           y3="3.29474"
                           yFract="0.63733027"
                           z3="6.51553"
                           zFract="0.24756224"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54195"
                           xFract="0.28155651"
                           y3="1.50283"
                           yFract="0.2907055"
                           z3="8.68271"
                           zFract="0.34664047"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99091"
                           xFract="0.27347439"
                           y3="4.10895"
                           yFract="0.79483"
                           z3="8.85666"
                           zFract="0.34635256"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52418"
                           xFract="0.78703322"
                           y3="1.44821"
                           yFract="0.28013988"
                           z3="8.85869"
                           zFract="0.34645249"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04796"
                           xFract="0.78666846"
                           y3="4.10448"
                           yFract="0.79396533"
                           z3="9.04899"
                           zFract="0.34657344"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95902"
                           xFract="0.44004775"
                           y3="2.32473"
                           yFract="0.44969278"
                           z3="10.20377"
                           zFract="0.40412364"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90939"
                           xFract="0.935857"
                           y3="2.31498"
                           yFract="0.44780675"
                           z3="10.38636"
                           zFract="0.4042208"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.43079"
                           xFract="0.43963623"
                           y3="4.89095"
                           yFract="0.94609908"
                           z3="10.38796"
                           zFract="0.40425533"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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"
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                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           x3="1.19758"
                           xFract="0.13280801"
                           y3="0.70637"
                           yFract="0.1366393"
                           z3="6.17977"
                           zFract="0.24877288"/>
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                           id="a10"
                           x3="2.68665"
                           xFract="0.13260892"
                           y3="3.3005"
                           yFract="0.63844447"
                           z3="6.36345"
                           zFract="0.24879996"/>
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                           x3="4.18378"
                           xFract="0.63359124"
                           y3="0.70737"
                           yFract="0.13683274"
                           z3="6.3635"
                           zFract="0.2488114"/>
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                           x3="5.67037"
                           xFract="0.63356973"
                           y3="3.29534"
                           yFract="0.63744633"
                           z3="6.51372"
                           zFract="0.24748488"/>
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                           xFract="0.28173559"
                           y3="1.50219"
                           yFract="0.2905817"
                           z3="8.68615"
                           zFract="0.34678036"/>
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                           xFract="0.27344184"
                           y3="4.1084"
                           yFract="0.79472361"
                           z3="8.85601"
                           zFract="0.34632805"/>
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                           id="a15"
                           x3="5.52381"
                           xFract="0.78707138"
                           y3="1.44717"
                           yFract="0.2799387"
                           z3="8.85799"
                           zFract="0.34642629"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04866"
                           xFract="0.78669433"
                           y3="4.10543"
                           yFract="0.7941491"
                           z3="9.04889"
                           zFract="0.34656622"/>
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                           id="a17"
                           x3="3.95811"
                           xFract="0.44001171"
                           y3="2.32352"
                           yFract="0.44945872"
                           z3="10.20353"
                           zFract="0.40411785"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90794"
                           xFract="0.9355502"
                           y3="2.31564"
                           yFract="0.44793442"
                           z3="10.38814"
                           zFract="0.40429629"/>
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                           x3="5.43003"
                           xFract="0.43965329"
                           y3="4.88945"
                           yFract="0.94580892"
                           z3="10.39047"
                           zFract="0.40436208"/>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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"/>
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                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
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                     <bond atomRefs2="a12 a14" order="S"/>
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                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
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                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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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"
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                           x3="1.19767"
                           xFract="0.13281444"
                           y3="0.70646"
                           yFract="0.13665671"
                           z3="6.18004"
                           zFract="0.24878357"/>
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                           xFract="0.13262191"
                           y3="3.3004"
                           yFract="0.63842513"
                           z3="6.36365"
                           zFract="0.24880824"/>
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                           x3="4.18371"
                           xFract="0.63357179"
                           y3="0.70745"
                           yFract="0.13684822"
                           z3="6.3638"
                           zFract="0.24882373"/>
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                           id="a12"
                           x3="5.67057"
                           xFract="0.63359075"
                           y3="3.29547"
                           yFract="0.63747148"
                           z3="6.51335"
                           zFract="0.24746905"/>
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                           id="a13"
                           x3="2.54279"
                           xFract="0.28177256"
                           y3="1.50205"
                           yFract="0.29055462"
                           z3="8.68686"
                           zFract="0.34680926"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99029"
                           xFract="0.27343495"
                           y3="4.10828"
                           yFract="0.7947004"
                           z3="8.85588"
                           zFract="0.34632318"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52374"
                           xFract="0.78707987"
                           y3="1.44696"
                           yFract="0.27989808"
                           z3="8.85785"
                           zFract="0.34642104"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04881"
                           xFract="0.78670022"
                           y3="4.10563"
                           yFract="0.79418779"
                           z3="9.04887"
                           zFract="0.34656474"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95792"
                           xFract="0.44000393"
                           y3="2.32327"
                           yFract="0.44941036"
                           z3="10.20348"
                           zFract="0.40411664"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90764"
                           xFract="0.93548735"
                           y3="2.31577"
                           yFract="0.44795957"
                           z3="10.3885"
                           zFract="0.40431158"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42987"
                           xFract="0.43965633"
                           y3="4.88914"
                           yFract="0.94574895"
                           z3="10.39098"
                           zFract="0.4043838"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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"/>
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                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
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                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
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                     <bond atomRefs2="a15 a18" order="S"/>
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                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="O Ag"/>
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                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           yFract="0.83604599"
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                           zFract="0.05000019"/>
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                           zFract="0.05000009"/>
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                           y3="2.51266"
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                           zFract="0.14999981"/>
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                           xFract="0.98604507"
                           y3="5.09745"
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                           zFract="0.15000008"/>
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                           y3="0.70664"
                           yFract="0.13669153"
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                           xFract="0.63353121"
                           y3="0.70761"
                           yFract="0.13687917"
                           z3="6.3644"
                           zFract="0.24884842"/>
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                           id="a12"
                           x3="5.67097"
                           xFract="0.63363376"
                           y3="3.29572"
                           yFract="0.63751984"
                           z3="6.5126"
                           zFract="0.24743701"/>
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                           id="a13"
                           x3="2.54307"
                           xFract="0.28184458"
                           y3="1.50179"
                           yFract="0.29050433"
                           z3="8.68828"
                           zFract="0.34686702"/>
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                           id="a14"
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                           xFract="0.27342093"
                           y3="4.10806"
                           yFract="0.79465784"
                           z3="8.85561"
                           zFract="0.34631298"/>
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                           xFract="0.78709614"
                           y3="1.44653"
                           yFract="0.2798149"
                           z3="8.85756"
                           zFract="0.34641018"/>
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                           xFract="0.78671128"
                           y3="4.10602"
                           yFract="0.79426323"
                           z3="9.04883"
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                           xFract="0.43998837"
                           y3="2.32277"
                           yFract="0.44931364"
                           z3="10.20338"
                           zFract="0.40411423"/>
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                           yFract="0.4480118"
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                           xFract="0.43966407"
                           y3="4.88852"
                           yFract="0.94562902"
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                           zFract="0.4044276"/>
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                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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="1.1986"
                           xFract="0.13288467"
                           y3="0.70735"
                           yFract="0.13682887"
                           z3="6.18232"
                           zFract="0.24887322"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68666"
                           xFract="0.13272719"
                           y3="3.29929"
                           yFract="0.63821041"
                           z3="6.36577"
                           zFract="0.2488966"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18335"
                           xFract="0.63346034"
                           y3="0.70798"
                           yFract="0.13695074"
                           z3="6.36606"
                           zFract="0.24891632"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67233"
                           xFract="0.63379249"
                           y3="3.29644"
                           yFract="0.63765911"
                           z3="6.51225"
                           zFract="0.24741824"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54217"
                           xFract="0.28184972"
                           y3="1.50017"
                           yFract="0.29019095"
                           z3="8.68998"
                           zFract="0.34694116"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99049"
                           xFract="0.27354269"
                           y3="4.10751"
                           yFract="0.79455145"
                           z3="8.85602"
                           zFract="0.34632952"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52372"
                           xFract="0.78717769"
                           y3="1.44591"
                           yFract="0.27969497"
                           z3="8.85752"
                           zFract="0.34640911"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04903"
                           xFract="0.78665232"
                           y3="4.10651"
                           yFract="0.79435801"
                           z3="9.04947"
                           zFract="0.34658745"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9582"
                           xFract="0.44002199"
                           y3="2.32357"
                           yFract="0.44946839"
                           z3="10.20481"
                           zFract="0.40416991"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90483"
                           xFract="0.9349399"
                           y3="2.31656"
                           yFract="0.44811239"
                           z3="10.39014"
                           zFract="0.40438455"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42669"
                           xFract="0.43954498"
                           y3="4.88476"
                           yFract="0.94490169"
                           z3="10.39378"
                           zFract="0.40451264"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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="1.20033"
                           xFract="0.13301586"
                           y3="0.7090"
                           yFract="0.13714805"
                           z3="6.18639"
                           zFract="0.24903299"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68654"
                           xFract="0.13290652"
                           y3="3.29722"
                           yFract="0.63781"
                           z3="6.3697"
                           zFract="0.24906066"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18287"
                           xFract="0.633296"
                           y3="0.70885"
                           yFract="0.13711903"
                           z3="6.36991"
                           zFract="0.24907375"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67548"
                           xFract="0.63415897"
                           y3="3.29812"
                           yFract="0.63798409"
                           z3="6.51142"
                           zFract="0.24737397"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54007"
                           xFract="0.28185882"
                           y3="1.49642"
                           yFract="0.28946556"
                           z3="8.69391"
                           zFract="0.34711262"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99142"
                           xFract="0.27382106"
                           y3="4.10624"
                           yFract="0.79430578"
                           z3="8.85696"
                           zFract="0.34636749"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52402"
                           xFract="0.78736676"
                           y3="1.44447"
                           yFract="0.27941642"
                           z3="8.85742"
                           zFract="0.34640636"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04887"
                           xFract="0.78651757"
                           y3="4.10763"
                           yFract="0.79457466"
                           z3="9.05094"
                           zFract="0.34664636"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95971"
                           xFract="0.44009796"
                           y3="2.32541"
                           yFract="0.44982432"
                           z3="10.20813"
                           zFract="0.40429928"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.89972"
                           xFract="0.9339662"
                           y3="2.31777"
                           yFract="0.44834645"
                           z3="10.39222"
                           zFract="0.40448068"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42006"
                           xFract="0.43927123"
                           y3="4.87606"
                           yFract="0.94321877"
                           z3="10.39788"
                           zFract="0.40470956"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <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="1.19958"
                           xFract="0.13295943"
                           y3="0.70828"
                           yFract="0.13700877"
                           z3="6.18462"
                           zFract="0.24896351"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68659"
                           xFract="0.13282819"
                           y3="3.29812"
                           yFract="0.63798409"
                           z3="6.36799"
                           zFract="0.24898928"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18308"
                           xFract="0.63336783"
                           y3="0.70847"
                           yFract="0.13704553"
                           z3="6.36823"
                           zFract="0.24900505"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67411"
                           xFract="0.63399952"
                           y3="3.29739"
                           yFract="0.63784288"
                           z3="6.51178"
                           zFract="0.24739318"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54098"
                           xFract="0.2818544"
                           y3="1.49805"
                           yFract="0.28978086"
                           z3="8.6922"
                           zFract="0.34703803"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99102"
                           xFract="0.27370097"
                           y3="4.10679"
                           yFract="0.79441217"
                           z3="8.85655"
                           zFract="0.34635092"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52389"
                           xFract="0.78728425"
                           y3="1.4451"
                           yFract="0.27953829"
                           z3="8.85746"
                           zFract="0.34640741"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04894"
                           xFract="0.78657652"
                           y3="4.10714"
                           yFract="0.79447988"
                           z3="9.0503"
                           zFract="0.34662072"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95905"
                           xFract="0.44006435"
                           y3="2.32461"
                           yFract="0.44966957"
                           z3="10.20669"
                           zFract="0.40424318"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90194"
                           xFract="0.93438964"
                           y3="2.31724"
                           yFract="0.44824392"
                           z3="10.39131"
                           zFract="0.40443866"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42294"
                           xFract="0.43939007"
                           y3="4.87984"
                           yFract="0.94394997"
                           z3="10.3961"
                           zFract="0.40462406"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19928"
                           xFract="0.13288695"
                           y3="0.70851"
                           yFract="0.13705326"
                           z3="6.18559"
                           zFract="0.2490036"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68684"
                           xFract="0.13284217"
                           y3="3.29841"
                           yFract="0.63804019"
                           z3="6.36979"
                           zFract="0.24906187"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18374"
                           xFract="0.63344096"
                           y3="0.70886"
                           yFract="0.13712097"
                           z3="6.36933"
                           zFract="0.24904783"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67493"
                           xFract="0.63408984"
                           y3="3.29788"
                           yFract="0.63793766"
                           z3="6.51266"
                           zFract="0.24742642"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53939"
                           xFract="0.28171104"
                           y3="1.49677"
                           yFract="0.28953326"
                           z3="8.69481"
                           zFract="0.34715063"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99071"
                           xFract="0.27382723"
                           y3="4.10494"
                           yFract="0.79405431"
                           z3="8.85727"
                           zFract="0.34638383"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52294"
                           xFract="0.78702566"
                           y3="1.44613"
                           yFract="0.27973753"
                           z3="8.85885"
                           zFract="0.34646515"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04817"
                           xFract="0.78655144"
                           y3="4.10606"
                           yFract="0.79427096"
                           z3="9.05256"
                           zFract="0.34671666"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95876"
                           xFract="0.44004365"
                           y3="2.32432"
                           yFract="0.44961347"
                           z3="10.20627"
                           zFract="0.40422715"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90137"
                           xFract="0.93416684"
                           y3="2.31856"
                           yFract="0.44849926"
                           z3="10.39157"
                           zFract="0.40444881"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42118"
                           xFract="0.4395487"
                           y3="4.87513"
                           yFract="0.94303888"
                           z3="10.39884"
                           zFract="0.40474738"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19926"
                           xFract="0.13288263"
                           y3="0.70852"
                           yFract="0.1370552"
                           z3="6.18563"
                           zFract="0.24900528"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68685"
                           xFract="0.13284289"
                           y3="3.29842"
                           yFract="0.63804212"
                           z3="6.36987"
                           zFract="0.2490651"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18378"
                           xFract="0.63344574"
                           y3="0.70888"
                           yFract="0.13712484"
                           z3="6.36939"
                           zFract="0.24905016"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67497"
                           xFract="0.63409462"
                           y3="3.2979"
                           yFract="0.63794153"
                           z3="6.5127"
                           zFract="0.24742793"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53931"
                           xFract="0.28170437"
                           y3="1.4967"
                           yFract="0.28951972"
                           z3="8.69494"
                           zFract="0.34715625"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.99069"
                           xFract="0.27383255"
                           y3="4.10485"
                           yFract="0.7940369"
                           z3="8.85731"
                           zFract="0.34638565"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52289"
                           xFract="0.78701246"
                           y3="1.44618"
                           yFract="0.2797472"
                           z3="8.85892"
                           zFract="0.34646807"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04814"
                           xFract="0.78655122"
                           y3="4.10601"
                           yFract="0.79426129"
                           z3="9.05267"
                           zFract="0.34672131"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95875"
                           xFract="0.44004294"
                           y3="2.32431"
                           yFract="0.44961154"
                           z3="10.20625"
                           zFract="0.40422637"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90134"
                           xFract="0.93415506"
                           y3="2.31863"
                           yFract="0.4485128"
                           z3="10.39158"
                           zFract="0.4044492"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42109"
                           xFract="0.43955577"
                           y3="4.8749"
                           yFract="0.94299438"
                           z3="10.39897"
                           zFract="0.40475325"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19823"
                           xFract="0.13273011"
                           y3="0.70831"
                           yFract="0.13701458"
                           z3="6.18619"
                           zFract="0.24903107"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68705"
                           xFract="0.13277815"
                           y3="3.29944"
                           yFract="0.63823943"
                           z3="6.37096"
                           zFract="0.24910771"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18457"
                           xFract="0.63353296"
                           y3="0.70935"
                           yFract="0.13721575"
                           z3="6.37023"
                           zFract="0.24908186"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67477"
                           xFract="0.63404662"
                           y3="3.29805"
                           yFract="0.63797055"
                           z3="6.5137"
                           zFract="0.24746912"/>
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                           x3="2.53799"
                           xFract="0.28168338"
                           y3="1.49462"
                           yFract="0.28911737"
                           z3="8.69723"
                           zFract="0.34725624"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98911"
                           xFract="0.27358969"
                           y3="4.10462"
                           yFract="0.79399241"
                           z3="8.85786"
                           zFract="0.34641243"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52226"
                           xFract="0.78692028"
                           y3="1.44604"
                           yFract="0.27972012"
                           z3="8.86051"
                           zFract="0.34653489"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04712"
                           xFract="0.78637725"
                           y3="4.10604"
                           yFract="0.7942671"
                           z3="9.05425"
                           zFract="0.34678845"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95745"
                           xFract="0.44002723"
                           y3="2.32221"
                           yFract="0.44920532"
                           z3="10.20578"
                           zFract="0.40421344"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90226"
                           xFract="0.93432768"
                           y3="2.31844"
                           yFract="0.44847605"
                           z3="10.39321"
                           zFract="0.40451385"/>
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                           id="a19"
                           x3="5.42246"
                           xFract="0.44008716"
                           y3="4.87177"
                           yFract="0.94238892"
                           z3="10.39975"
                           zFract="0.40478627"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
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                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.23">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19812"
                           xFract="0.13271358"
                           y3="0.70829"
                           yFract="0.13701071"
                           z3="6.18625"
                           zFract="0.24903383"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68707"
                           xFract="0.13277091"
                           y3="3.29955"
                           yFract="0.63826071"
                           z3="6.37108"
                           zFract="0.24911241"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18466"
                           xFract="0.63354324"
                           y3="0.7094"
                           yFract="0.13722542"
                           z3="6.37032"
                           zFract="0.24908524"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67474"
                           xFract="0.63404063"
                           y3="3.29806"
                           yFract="0.63797248"
                           z3="6.51381"
                           zFract="0.24747368"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53784"
                           xFract="0.28168039"
                           y3="1.49439"
                           yFract="0.28907288"
                           z3="8.69748"
                           zFract="0.34726718"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98893"
                           xFract="0.27356143"
                           y3="4.1046"
                           yFract="0.79398854"
                           z3="8.85792"
                           zFract="0.34641537"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52219"
                           xFract="0.78691046"
                           y3="1.44602"
                           yFract="0.27971625"
                           z3="8.86068"
                           zFract="0.34654205"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04701"
                           xFract="0.78635783"
                           y3="4.10605"
                           yFract="0.79426903"
                           z3="9.05442"
                           zFract="0.34679567"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95731"
                           xFract="0.44002591"
                           y3="2.32198"
                           yFract="0.44916082"
                           z3="10.20573"
                           zFract="0.40421208"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90236"
                           xFract="0.93434638"
                           y3="2.31842"
                           yFract="0.44847218"
                           z3="10.39339"
                           zFract="0.40452099"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42261"
                           xFract="0.44014508"
                           y3="4.87143"
                           yFract="0.94232315"
                           z3="10.39983"
                           zFract="0.40478966"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           x3="7.32217"
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                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           x3="1.1979"
                           xFract="0.1326815"
                           y3="0.70824"
                           yFract="0.13700103"
                           z3="6.18637"
                           zFract="0.24903936"/>
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                           id="a10"
                           x3="2.68712"
                           xFract="0.13275713"
                           y3="3.29978"
                           yFract="0.6383052"
                           z3="6.37131"
                           zFract="0.24912136"/>
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                           x3="4.18483"
                           xFract="0.63356212"
                           y3="0.7095"
                           yFract="0.13724477"
                           z3="6.3705"
                           zFract="0.24909204"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6747"
                           xFract="0.63403006"
                           y3="3.2981"
                           yFract="0.63798022"
                           z3="6.51402"
                           zFract="0.24748231"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53755"
                           xFract="0.28167511"
                           y3="1.49394"
                           yFract="0.28898583"
                           z3="8.69798"
                           zFract="0.34728901"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98859"
                           xFract="0.27350922"
                           y3="4.10455"
                           yFract="0.79397887"
                           z3="8.85804"
                           zFract="0.3464212"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52205"
                           xFract="0.78688987"
                           y3="1.44599"
                           yFract="0.27971045"
                           z3="8.86103"
                           zFract="0.34655676"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04679"
                           xFract="0.78632093"
                           y3="4.10605"
                           yFract="0.79426903"
                           z3="9.05476"
                           zFract="0.34681013"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95703"
                           xFract="0.44002327"
                           y3="2.32152"
                           yFract="0.44907184"
                           z3="10.20563"
                           zFract="0.40420936"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90256"
                           xFract="0.93438378"
                           y3="2.31838"
                           yFract="0.44846444"
                           z3="10.39374"
                           zFract="0.40453486"/>
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                           id="a19"
                           x3="5.42291"
                           xFract="0.44026189"
                           y3="4.87074"
                           yFract="0.94218968"
                           z3="10.4000"
                           zFract="0.40479686"/>
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                     <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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
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                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           x3="7.46732"
                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
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                           zFract="0.14999981"/>
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                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           xFract="0.13276215"
                           y3="0.70843"
                           yFract="0.13703779"
                           z3="6.18659"
                           zFract="0.2490466"/>
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                           x3="2.68642"
                           xFract="0.13265417"
                           y3="3.29963"
                           yFract="0.63827618"
                           z3="6.37203"
                           zFract="0.24915278"/>
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                           x3="4.18481"
                           xFract="0.63351251"
                           y3="0.70998"
                           yFract="0.13733762"
                           z3="6.37129"
                           zFract="0.24912371"/>
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                           xFract="0.63392125"
                           y3="3.29815"
                           yFract="0.63798989"
                           z3="6.51465"
                           zFract="0.24750956"/>
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                           y3="1.49157"
                           yFract="0.28852738"
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                           xFract="0.27323418"
                           y3="4.10448"
                           yFract="0.79396533"
                           z3="8.85859"
                           zFract="0.34644801"/>
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                           x3="5.52248"
                           xFract="0.78697837"
                           y3="1.44582"
                           yFract="0.27967756"
                           z3="8.86238"
                           zFract="0.34661116"/>
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                           id="a16"
                           x3="7.04738"
                           xFract="0.78649312"
                           y3="4.10529"
                           yFract="0.79412202"
                           z3="9.05496"
                           zFract="0.34681793"/>
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                           x3="3.95529"
                           xFract="0.43985765"
                           y3="2.32021"
                           yFract="0.44881844"
                           z3="10.20755"
                           zFract="0.40429415"/>
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                           id="a18"
                           x3="6.90263"
                           xFract="0.93442347"
                           y3="2.31809"
                           yFract="0.44840835"
                           z3="10.39415"
                           zFract="0.40455188"/>
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                           x3="5.42388"
                           xFract="0.44057972"
                           y3="4.86913"
                           yFract="0.94187824"
                           z3="10.39898"
                           zFract="0.40475504"/>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
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                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           id="a9"
                           x3="1.19857"
                           xFract="0.13277268"
                           y3="0.70846"
                           yFract="0.13704359"
                           z3="6.18662"
                           zFract="0.24904759"/>
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                           x3="2.68632"
                           xFract="0.13263933"
                           y3="3.29961"
                           yFract="0.63827231"
                           z3="6.37213"
                           zFract="0.24915715"/>
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                           xFract="0.63350577"
                           y3="0.71005"
                           yFract="0.13735116"
                           z3="6.3714"
                           zFract="0.24912811"/>
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                           id="a12"
                           x3="5.67399"
                           xFract="0.63390519"
                           y3="3.29816"
                           yFract="0.63799183"
                           z3="6.51474"
                           zFract="0.24751345"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53624"
                           xFract="0.28171554"
                           y3="1.49124"
                           yFract="0.28846355"
                           z3="8.69939"
                           zFract="0.34735388"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98668"
                           xFract="0.27319656"
                           y3="4.10447"
                           yFract="0.7939634"
                           z3="8.85867"
                           zFract="0.34645187"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52254"
                           xFract="0.78699037"
                           y3="1.4458"
                           yFract="0.27967369"
                           z3="8.86256"
                           zFract="0.3466184"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04746"
                           xFract="0.78651714"
                           y3="4.10518"
                           yFract="0.79410074"
                           z3="9.05499"
                           zFract="0.34681912"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95505"
                           xFract="0.43983474"
                           y3="2.32003"
                           yFract="0.44878362"
                           z3="10.20782"
                           zFract="0.40430606"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90264"
                           xFract="0.934429"
                           y3="2.31805"
                           yFract="0.44840061"
                           z3="10.3942"
                           zFract="0.40455396"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42401"
                           xFract="0.44062369"
                           y3="4.8689"
                           yFract="0.94183375"
                           z3="10.39884"
                           zFract="0.40474932"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
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                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           x3="1.19873"
                           xFract="0.1327947"
                           y3="0.70851"
                           yFract="0.13705326"
                           z3="6.18668"
                           zFract="0.24904957"/>
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                           id="a10"
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                           xFract="0.13261131"
                           y3="3.29957"
                           yFract="0.63826458"
                           z3="6.37233"
                           zFract="0.24916587"/>
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                           xFract="0.63349156"
                           y3="0.71018"
                           yFract="0.13737631"
                           z3="6.37162"
                           zFract="0.24913694"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67382"
                           xFract="0.63387475"
                           y3="3.29818"
                           yFract="0.6379957"
                           z3="6.51491"
                           zFract="0.2475208"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53592"
                           xFract="0.28172546"
                           y3="1.49058"
                           yFract="0.28833588"
                           z3="8.69974"
                           zFract="0.34736996"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98621"
                           xFract="0.27311965"
                           y3="4.10445"
                           yFract="0.79395953"
                           z3="8.85882"
                           zFract="0.34645921"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52266"
                           xFract="0.78701531"
                           y3="1.44575"
                           yFract="0.27966402"
                           z3="8.86293"
                           zFract="0.3466333"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04762"
                           xFract="0.78656421"
                           y3="4.10497"
                           yFract="0.79406012"
                           z3="9.05504"
                           zFract="0.34682107"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95457"
                           xFract="0.43978891"
                           y3="2.31967"
                           yFract="0.44871398"
                           z3="10.20835"
                           zFract="0.40432946"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90266"
                           xFract="0.93444006"
                           y3="2.31797"
                           yFract="0.44838513"
                           z3="10.39431"
                           zFract="0.40455852"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42428"
                           xFract="0.44071137"
                           y3="4.86846"
                           yFract="0.94174864"
                           z3="10.39856"
                           zFract="0.40473783"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="1.19906"
                           xFract="0.13283945"
                           y3="0.70862"
                           yFract="0.13707454"
                           z3="6.18681"
                           zFract="0.2490539"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68574"
                           xFract="0.13255457"
                           y3="3.29948"
                           yFract="0.63824717"
                           z3="6.37273"
                           zFract="0.24918333"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18479"
                           xFract="0.63346387"
                           y3="0.71045"
                           yFract="0.13742853"
                           z3="6.37205"
                           zFract="0.24915416"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67348"
                           xFract="0.63381483"
                           y3="3.29821"
                           yFract="0.6380015"
                           z3="6.51526"
                           zFract="0.24753593"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53528"
                           xFract="0.28174434"
                           y3="1.48927"
                           yFract="0.28808247"
                           z3="8.70043"
                           zFract="0.34740168"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98529"
                           xFract="0.27296823"
                           y3="4.10442"
                           yFract="0.79395372"
                           z3="8.85913"
                           zFract="0.34647424"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5229"
                           xFract="0.78706424"
                           y3="1.44566"
                           yFract="0.27964661"
                           z3="8.86368"
                           zFract="0.34666351"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04795"
                           xFract="0.78666003"
                           y3="4.10455"
                           yFract="0.79397887"
                           z3="9.05515"
                           zFract="0.34682535"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95361"
                           xFract="0.43969727"
                           y3="2.31895"
                           yFract="0.4485747"
                           z3="10.20942"
                           zFract="0.40437668"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90269"
                           xFract="0.93446051"
                           y3="2.31781"
                           yFract="0.44835418"
                           z3="10.39454"
                           zFract="0.40456809"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42482"
                           xFract="0.44088867"
                           y3="4.86756"
                           yFract="0.94157454"
                           z3="10.39799"
                           zFract="0.40471446"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19913"
                           xFract="0.13283867"
                           y3="0.70875"
                           yFract="0.13709969"
                           z3="6.18676"
                           zFract="0.24905149"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68534"
                           xFract="0.1325212"
                           y3="3.29913"
                           yFract="0.63817946"
                           z3="6.37325"
                           zFract="0.24920611"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18474"
                           xFract="0.63341212"
                           y3="0.7109"
                           yFract="0.13751558"
                           z3="6.37253"
                           zFract="0.24917327"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67272"
                           xFract="0.63369121"
                           y3="3.29817"
                           yFract="0.63799376"
                           z3="6.51571"
                           zFract="0.2475563"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53534"
                           xFract="0.2818604"
                           y3="1.48817"
                           yFract="0.28786969"
                           z3="8.7008"
                           zFract="0.34741826"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.9844"
                           xFract="0.27294422"
                           y3="4.10312"
                           yFract="0.79370225"
                           z3="8.85998"
                           zFract="0.34651312"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52199"
                           xFract="0.78690679"
                           y3="1.44571"
                           yFract="0.27965628"
                           z3="8.86463"
                           zFract="0.34670458"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04856"
                           xFract="0.78684425"
                           y3="4.1037"
                           yFract="0.79381445"
                           z3="9.05479"
                           zFract="0.34681033"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95174"
                           xFract="0.43941156"
                           y3="2.31866"
                           yFract="0.44851861"
                           z3="10.21145"
                           zFract="0.40446482"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90281"
                           xFract="0.93454423"
                           y3="2.31715"
                           yFract="0.44822652"
                           z3="10.39517"
                           zFract="0.40459452"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42555"
                           xFract="0.44115854"
                           y3="4.86603"
                           yFract="0.94127858"
                           z3="10.39733"
                           zFract="0.40468785"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19914"
                           xFract="0.13283938"
                           y3="0.70876"
                           yFract="0.13710162"
                           z3="6.18676"
                           zFract="0.24905145"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68531"
                           xFract="0.13251906"
                           y3="3.2991"
                           yFract="0.63817366"
                           z3="6.37329"
                           zFract="0.24920787"/>
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                           id="a11"
                           x3="4.18473"
                           xFract="0.63340659"
                           y3="0.71094"
                           yFract="0.13752332"
                           z3="6.37257"
                           zFract="0.24917488"/>
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                           id="a12"
                           x3="5.67266"
                           xFract="0.63368211"
                           y3="3.29816"
                           yFract="0.63799183"
                           z3="6.51575"
                           zFract="0.2475581"/>
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                           id="a13"
                           x3="2.53535"
                           xFract="0.28187075"
                           y3="1.48808"
                           yFract="0.28785228"
                           z3="8.70083"
                           zFract="0.34741959"/>
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                           id="a14"
                           x3="3.98433"
                           xFract="0.27294211"
                           y3="4.10302"
                           yFract="0.79368291"
                           z3="8.86005"
                           zFract="0.3465163"/>
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                           id="a15"
                           x3="5.52192"
                           xFract="0.78689504"
                           y3="1.44571"
                           yFract="0.27965628"
                           z3="8.8647"
                           zFract="0.34670762"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04861"
                           xFract="0.78685842"
                           y3="4.10364"
                           yFract="0.79380284"
                           z3="9.05476"
                           zFract="0.34680906"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9516"
                           xFract="0.43939"
                           y3="2.31864"
                           yFract="0.44851474"
                           z3="10.21161"
                           zFract="0.40447175"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90282"
                           xFract="0.93455073"
                           y3="2.3171"
                           yFract="0.44821684"
                           z3="10.39522"
                           zFract="0.40459661"/>
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                           id="a19"
                           x3="5.4256"
                           xFract="0.44117849"
                           y3="4.86591"
                           yFract="0.94125537"
                           z3="10.39727"
                           zFract="0.40468545"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
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                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.31">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <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="1.19915"
                           xFract="0.13283913"
                           y3="0.70878"
                           yFract="0.13710549"
                           z3="6.18675"
                           zFract="0.24905099"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68525"
                           xFract="0.13251381"
                           y3="3.29905"
                           yFract="0.63816399"
                           z3="6.37337"
                           zFract="0.24921136"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18472"
                           xFract="0.63339817"
                           y3="0.71101"
                           yFract="0.13753686"
                           z3="6.37264"
                           zFract="0.24917766"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67254"
                           xFract="0.63366198"
                           y3="3.29816"
                           yFract="0.63799183"
                           z3="6.51582"
                           zFract="0.24756126"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53536"
                           xFract="0.28188881"
                           y3="1.48791"
                           yFract="0.2878194"
                           z3="8.70089"
                           zFract="0.34742227"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98419"
                           xFract="0.2729379"
                           y3="4.10282"
                           yFract="0.79364422"
                           z3="8.86018"
                           zFract="0.34652226"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52178"
                           xFract="0.7868706"
                           y3="1.44572"
                           yFract="0.27965822"
                           z3="8.86485"
                           zFract="0.34671409"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04871"
                           xFract="0.78688869"
                           y3="4.1035"
                           yFract="0.79377576"
                           z3="9.05471"
                           zFract="0.34680697"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9513"
                           xFract="0.4393445"
                           y3="2.31859"
                           yFract="0.44850507"
                           z3="10.21193"
                           zFract="0.40448566"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90284"
                           xFract="0.93456372"
                           y3="2.3170"
                           yFract="0.4481975"
                           z3="10.39532"
                           zFract="0.40460079"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42572"
                           xFract="0.44122174"
                           y3="4.86567"
                           yFract="0.94120895"
                           z3="10.39717"
                           zFract="0.40468141"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.32">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
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                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           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="1.19917"
                           xFract="0.13283863"
                           y3="0.70882"
                           yFract="0.13711323"
                           z3="6.18674"
                           zFract="0.24905047"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68512"
                           xFract="0.13250261"
                           y3="3.29894"
                           yFract="0.63814271"
                           z3="6.37354"
                           zFract="0.2492188"/>
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                           id="a11"
                           x3="4.18471"
                           xFract="0.63338204"
                           y3="0.71116"
                           yFract="0.13756588"
                           z3="6.37279"
                           zFract="0.24918361"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6723"
                           xFract="0.63362365"
                           y3="3.29814"
                           yFract="0.63798796"
                           z3="6.51596"
                           zFract="0.24756762"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53538"
                           xFract="0.28192589"
                           y3="1.48756"
                           yFract="0.28775169"
                           z3="8.70101"
                           zFract="0.34742763"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98391"
                           xFract="0.27293044"
                           y3="4.10241"
                           yFract="0.79356491"
                           z3="8.86045"
                           zFract="0.3465346"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5215"
                           xFract="0.78682267"
                           y3="1.44573"
                           yFract="0.27966015"
                           z3="8.86515"
                           zFract="0.34672705"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0489"
                           xFract="0.78694561"
                           y3="4.10324"
                           yFract="0.79372547"
                           z3="9.0546"
                           zFract="0.34680237"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95071"
                           xFract="0.43925421"
                           y3="2.3185"
                           yFract="0.44848766"
                           z3="10.21258"
                           zFract="0.40451386"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90287"
                           xFract="0.93458899"
                           y3="2.31679"
                           yFract="0.44815688"
                           z3="10.39552"
                           zFract="0.4046092"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42595"
                           xFract="0.44130657"
                           y3="4.86519"
                           yFract="0.94111609"
                           z3="10.39696"
                           zFract="0.40467293"/>
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                  <bondArray>
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                     <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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
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                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           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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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           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="1.19851"
                           xFract="0.13274045"
                           y3="0.70869"
                           yFract="0.13708808"
                           z3="6.1869"
                           zFract="0.24905886"/>
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                           id="a10"
                           x3="2.68498"
                           xFract="0.13250225"
                           y3="3.2987"
                           yFract="0.63809628"
                           z3="6.37324"
                           zFract="0.24920723"/>
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                           x3="4.18458"
                           xFract="0.63335252"
                           y3="0.71124"
                           yFract="0.13758135"
                           z3="6.37281"
                           zFract="0.24918464"/>
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                           id="a12"
                           x3="5.67182"
                           xFract="0.633547"
                           y3="3.2981"
                           yFract="0.63798022"
                           z3="6.51603"
                           zFract="0.24757174"/>
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                           xFract="0.28203145"
                           y3="1.48777"
                           yFract="0.28779231"
                           z3="8.70071"
                           zFract="0.34741318"/>
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                           xFract="0.2730698"
                           y3="4.10119"
                           yFract="0.79332892"
                           z3="8.86077"
                           zFract="0.34654913"/>
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                           id="a15"
                           x3="5.52012"
                           xFract="0.78657289"
                           y3="1.44592"
                           yFract="0.2796969"
                           z3="8.86568"
                           zFract="0.34675191"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04898"
                           xFract="0.78700624"
                           y3="4.10275"
                           yFract="0.79363068"
                           z3="9.0538"
                           zFract="0.34677015"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95058"
                           xFract="0.43930371"
                           y3="2.31776"
                           yFract="0.44834451"
                           z3="10.21386"
                           zFract="0.40456762"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90335"
                           xFract="0.93472924"
                           y3="2.31617"
                           yFract="0.44803695"
                           z3="10.39602"
                           zFract="0.40462935"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42541"
                           xFract="0.44127285"
                           y3="4.8646"
                           yFract="0.94100197"
                           z3="10.39756"
                           zFract="0.40469969"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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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="1.19847"
                           xFract="0.13273471"
                           y3="0.70868"
                           yFract="0.13708615"
                           z3="6.18692"
                           zFract="0.24905979"/>
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                           id="a10"
                           x3="2.68497"
                           xFract="0.13250154"
                           y3="3.29869"
                           yFract="0.63809435"
                           z3="6.37322"
                           zFract="0.24920645"/>
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                           id="a11"
                           x3="4.18457"
                           xFract="0.63335085"
                           y3="0.71124"
                           yFract="0.13758135"
                           z3="6.37281"
                           zFract="0.24918466"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67178"
                           xFract="0.63354125"
                           y3="3.29809"
                           yFract="0.63797829"
                           z3="6.51603"
                           zFract="0.24757186"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53618"
                           xFract="0.28203791"
                           y3="1.48779"
                           yFract="0.28779618"
                           z3="8.70069"
                           zFract="0.34741221"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98405"
                           xFract="0.27307919"
                           y3="4.10111"
                           yFract="0.79331344"
                           z3="8.8608"
                           zFract="0.34655045"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52003"
                           xFract="0.78655683"
                           y3="1.44593"
                           yFract="0.27969884"
                           z3="8.86571"
                           zFract="0.34675335"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04898"
                           xFract="0.78700913"
                           y3="4.10272"
                           yFract="0.79362488"
                           z3="9.05375"
                           zFract="0.34676815"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95057"
                           xFract="0.43930685"
                           y3="2.31771"
                           yFract="0.44833484"
                           z3="10.21394"
                           zFract="0.40457099"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90338"
                           xFract="0.93473812"
                           y3="2.31613"
                           yFract="0.44802921"
                           z3="10.39605"
                           zFract="0.40463056"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42537"
                           xFract="0.44126903"
                           y3="4.86457"
                           yFract="0.94099616"
                           z3="10.3976"
                           zFract="0.40470147"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
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               <molecule id="calculation.position.35">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           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"
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                           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"
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                           x3="1.19838"
                           xFract="0.13272154"
                           y3="0.70866"
                           yFract="0.13708228"
                           z3="6.18694"
                           zFract="0.24906086"/>
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                           xFract="0.13250371"
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                           yFract="0.63808661"
                           z3="6.37319"
                           zFract="0.24920531"/>
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                           xFract="0.63334653"
                           y3="0.71125"
                           yFract="0.13758329"
                           z3="6.37281"
                           zFract="0.2491847"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67172"
                           xFract="0.63353119"
                           y3="3.29809"
                           yFract="0.63797829"
                           z3="6.51604"
                           zFract="0.24757242"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53628"
                           xFract="0.28205179"
                           y3="1.48782"
                           yFract="0.28780199"
                           z3="8.70065"
                           zFract="0.34741028"/>
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                           id="a14"
                           x3="3.98407"
                           xFract="0.27309796"
                           y3="4.10095"
                           yFract="0.79328249"
                           z3="8.86084"
                           zFract="0.34655227"/>
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                           id="a15"
                           x3="5.51985"
                           xFract="0.78652375"
                           y3="1.44596"
                           yFract="0.27970464"
                           z3="8.86578"
                           zFract="0.34675662"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04899"
                           xFract="0.78701755"
                           y3="4.10265"
                           yFract="0.79361134"
                           z3="9.05365"
                           zFract="0.34676414"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95055"
                           xFract="0.43931313"
                           y3="2.31761"
                           yFract="0.4483155"
                           z3="10.21411"
                           zFract="0.40457813"/>
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                           id="a18"
                           x3="6.90345"
                           xFract="0.93475757"
                           y3="2.31605"
                           yFract="0.44801373"
                           z3="10.39612"
                           zFract="0.40463337"/>
                     <atom elementType="O"
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                           x3="5.4253"
                           xFract="0.441265"
                           y3="4.86449"
                           yFract="0.94098069"
                           z3="10.39768"
                           zFract="0.40470503"/>
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                  <bondArray>
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                     <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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <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="1.19821"
                           xFract="0.13269688"
                           y3="0.70862"
                           yFract="0.13707454"
                           z3="6.18698"
                           zFract="0.24906298"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68492"
                           xFract="0.13250279"
                           y3="3.29859"
                           yFract="0.63807501"
                           z3="6.37311"
                           zFract="0.24920222"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18452"
                           xFract="0.63333957"
                           y3="0.71127"
                           yFract="0.13758715"
                           z3="6.37281"
                           zFract="0.24918474"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6716"
                           xFract="0.63351202"
                           y3="3.29808"
                           yFract="0.63797635"
                           z3="6.51606"
                           zFract="0.24757355"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53648"
                           xFract="0.28208052"
                           y3="1.48787"
                           yFract="0.28781166"
                           z3="8.70057"
                           zFract="0.34740643"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.9841"
                           xFract="0.27313383"
                           y3="4.10063"
                           yFract="0.79322059"
                           z3="8.86092"
                           zFract="0.34655593"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51949"
                           xFract="0.78645951"
                           y3="1.4460"
                           yFract="0.27971238"
                           z3="8.86591"
                           zFract="0.34676278"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04901"
                           xFract="0.78703247"
                           y3="4.10253"
                           yFract="0.79358813"
                           z3="9.05344"
                           zFract="0.34675567"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95051"
                           xFract="0.43932473"
                           y3="2.31742"
                           yFract="0.44827874"
                           z3="10.21444"
                           zFract="0.40459201"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90357"
                           xFract="0.93479312"
                           y3="2.31589"
                           yFract="0.44798278"
                           z3="10.39625"
                           zFract="0.40463862"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42516"
                           xFract="0.44125597"
                           y3="4.86434"
                           yFract="0.94095167"
                           z3="10.39784"
                           zFract="0.40471214"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="1.19772"
                           xFract="0.13264071"
                           y3="0.70835"
                           yFract="0.13702231"
                           z3="6.18771"
                           zFract="0.24909446"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68504"
                           xFract="0.13253737"
                           y3="3.29844"
                           yFract="0.63804599"
                           z3="6.37252"
                           zFract="0.249178"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18418"
                           xFract="0.63330181"
                           y3="0.71107"
                           yFract="0.13754847"
                           z3="6.37256"
                           zFract="0.24917566"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67126"
                           xFract="0.63345307"
                           y3="3.2981"
                           yFract="0.63798022"
                           z3="6.51617"
                           zFract="0.24757887"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53697"
                           xFract="0.28218102"
                           y3="1.48768"
                           yFract="0.28777491"
                           z3="8.70047"
                           zFract="0.34740139"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98463"
                           xFract="0.27329788"
                           y3="4.09985"
                           yFract="0.79306971"
                           z3="8.86141"
                           zFract="0.34657578"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51879"
                           xFract="0.78636137"
                           y3="1.4458"
                           yFract="0.27967369"
                           z3="8.86651"
                           zFract="0.34678937"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04825"
                           xFract="0.78696666"
                           y3="4.10189"
                           yFract="0.79346432"
                           z3="9.05301"
                           zFract="0.34674091"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95026"
                           xFract="0.43931941"
                           y3="2.31704"
                           yFract="0.44820524"
                           z3="10.2156"
                           zFract="0.40464064"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90403"
                           xFract="0.93499747"
                           y3="2.31457"
                           yFract="0.44772744"
                           z3="10.3965"
                           zFract="0.40464961"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42441"
                           xFract="0.44106657"
                           y3="4.8650"
                           yFract="0.94107934"
                           z3="10.39728"
                           zFract="0.40469016"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19762"
                           xFract="0.13262875"
                           y3="0.7083"
                           yFract="0.13701264"
                           z3="6.18787"
                           zFract="0.24910133"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68507"
                           xFract="0.13254625"
                           y3="3.2984"
                           yFract="0.63803825"
                           z3="6.3724"
                           zFract="0.24917308"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.1841"
                           xFract="0.63329225"
                           y3="0.71103"
                           yFract="0.13754073"
                           z3="6.3725"
                           zFract="0.24917346"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67119"
                           xFract="0.63344133"
                           y3="3.2981"
                           yFract="0.63798022"
                           z3="6.5162"
                           zFract="0.24758027"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53707"
                           xFract="0.28220164"
                           y3="1.48764"
                           yFract="0.28776717"
                           z3="8.70044"
                           zFract="0.34739997"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98474"
                           xFract="0.27333271"
                           y3="4.09968"
                           yFract="0.79303683"
                           z3="8.86151"
                           zFract="0.34657984"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51864"
                           xFract="0.78634007"
                           y3="1.44576"
                           yFract="0.27966595"
                           z3="8.86663"
                           zFract="0.34679471"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04809"
                           xFract="0.78695235"
                           y3="4.10176"
                           yFract="0.79343918"
                           z3="9.05292"
                           zFract="0.34673782"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9502"
                           xFract="0.43931706"
                           y3="2.31696"
                           yFract="0.44818976"
                           z3="10.21584"
                           zFract="0.40465072"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90413"
                           xFract="0.93504026"
                           y3="2.3143"
                           yFract="0.44767521"
                           z3="10.39656"
                           zFract="0.4046522"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42425"
                           xFract="0.44102625"
                           y3="4.86514"
                           yFract="0.94110642"
                           z3="10.39717"
                           zFract="0.40468585"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           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="1.19742"
                           xFract="0.13260581"
                           y3="0.70819"
                           yFract="0.13699136"
                           z3="6.18817"
                           zFract="0.24911426"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68512"
                           xFract="0.13256042"
                           y3="3.29834"
                           yFract="0.63802665"
                           z3="6.37216"
                           zFract="0.24916322"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18396"
                           xFract="0.63327647"
                           y3="0.71095"
                           yFract="0.13752525"
                           z3="6.37239"
                           zFract="0.24916943"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67104"
                           xFract="0.6334152"
                           y3="3.29811"
                           yFract="0.63798216"
                           z3="6.51624"
                           zFract="0.24758227"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53728"
                           xFract="0.28224361"
                           y3="1.48757"
                           yFract="0.28775363"
                           z3="8.7004"
                           zFract="0.34739791"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98496"
                           xFract="0.27340045"
                           y3="4.09936"
                           yFract="0.79297492"
                           z3="8.86171"
                           zFract="0.34658794"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51835"
                           xFract="0.7863001"
                           y3="1.44567"
                           yFract="0.27964855"
                           z3="8.86688"
                           zFract="0.34680579"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04777"
                           xFract="0.78692373"
                           y3="4.1015"
                           yFract="0.79338888"
                           z3="9.05274"
                           zFract="0.34673163"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9501"
                           xFract="0.43931474"
                           y3="2.31681"
                           yFract="0.44816075"
                           z3="10.21632"
                           zFract="0.40467082"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90432"
                           xFract="0.93512512"
                           y3="2.31375"
                           yFract="0.44756882"
                           z3="10.39666"
                           zFract="0.40465661"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42394"
                           xFract="0.44094727"
                           y3="4.86542"
                           yFract="0.94116059"
                           z3="10.39694"
                           zFract="0.40467681"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19719"
                           xFract="0.13257397"
                           y3="0.70812"
                           yFract="0.13697782"
                           z3="6.1885"
                           zFract="0.24912844"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68516"
                           xFract="0.13258544"
                           y3="3.29815"
                           yFract="0.63798989"
                           z3="6.37189"
                           zFract="0.24915235"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18358"
                           xFract="0.63324261"
                           y3="0.71064"
                           yFract="0.13746529"
                           z3="6.37207"
                           zFract="0.24915774"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67077"
                           xFract="0.63336413"
                           y3="3.29817"
                           yFract="0.63799376"
                           z3="6.51618"
                           zFract="0.24758041"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53736"
                           xFract="0.28223487"
                           y3="1.4878"
                           yFract="0.28779812"
                           z3="8.70032"
                           zFract="0.3473941"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98472"
                           xFract="0.27338043"
                           y3="4.09915"
                           yFract="0.7929343"
                           z3="8.86178"
                           zFract="0.3465917"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51846"
                           xFract="0.78639756"
                           y3="1.44485"
                           yFract="0.27948993"
                           z3="8.86751"
                           zFract="0.34683248"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04718"
                           xFract="0.78692884"
                           y3="4.10042"
                           yFract="0.79317997"
                           z3="9.0527"
                           zFract="0.34673304"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94975"
                           xFract="0.43936106"
                           y3="2.31572"
                           yFract="0.4479499"
                           z3="10.21674"
                           zFract="0.40469046"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90453"
                           xFract="0.93528368"
                           y3="2.31247"
                           yFract="0.44732122"
                           z3="10.39733"
                           zFract="0.40468535"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42365"
                           xFract="0.44085719"
                           y3="4.86585"
                           yFract="0.94124376"
                           z3="10.39707"
                           zFract="0.40468224"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
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                           zFract="0.14999981"/>
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           x3="1.19718"
                           xFract="0.1325723"
                           y3="0.70812"
                           yFract="0.13697782"
                           z3="6.18851"
                           zFract="0.24912887"/>
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                           id="a10"
                           x3="2.68516"
                           xFract="0.1325864"
                           y3="3.29814"
                           yFract="0.63798796"
                           z3="6.37188"
                           zFract="0.24915196"/>
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                           id="a11"
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                           xFract="0.63324189"
                           y3="0.71063"
                           yFract="0.13746335"
                           z3="6.37206"
                           zFract="0.24915737"/>
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                           id="a12"
                           x3="5.67076"
                           xFract="0.63336246"
                           y3="3.29817"
                           yFract="0.63799376"
                           z3="6.51617"
                           zFract="0.24758002"/>
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                           x3="2.53736"
                           xFract="0.28223391"
                           y3="1.48781"
                           yFract="0.28780005"
                           z3="8.70032"
                           zFract="0.34739409"/>
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                           x3="3.98471"
                           xFract="0.27337971"
                           y3="4.09914"
                           yFract="0.79293237"
                           z3="8.86178"
                           zFract="0.34659174"/>
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                           id="a15"
                           x3="5.51847"
                           xFract="0.78640117"
                           y3="1.44483"
                           yFract="0.27948606"
                           z3="8.86753"
                           zFract="0.3468333"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04716"
                           xFract="0.78692837"
                           y3="4.10039"
                           yFract="0.79317417"
                           z3="9.0527"
                           zFract="0.34673313"/>
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                           id="a17"
                           x3="3.94974"
                           xFract="0.43936227"
                           y3="2.31569"
                           yFract="0.44794409"
                           z3="10.21676"
                           zFract="0.40469135"/>
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                           id="a18"
                           x3="6.90454"
                           xFract="0.93529018"
                           y3="2.31242"
                           yFract="0.44731155"
                           z3="10.39736"
                           zFract="0.40468662"/>
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                           id="a19"
                           x3="5.42365"
                           xFract="0.44085623"
                           y3="4.86586"
                           yFract="0.9412457"
                           z3="10.39707"
                           zFract="0.40468222"/>
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                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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               </molecule>
               <molecule id="calculation.position.42">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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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"/>
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                           x3="1.19717"
                           xFract="0.13257062"
                           y3="0.70812"
                           yFract="0.13697782"
                           z3="6.18853"
                           zFract="0.24912972"/>
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                           x3="2.68517"
                           xFract="0.13258904"
                           y3="3.29813"
                           yFract="0.63798602"
                           z3="6.37187"
                           zFract="0.24915154"/>
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                           x3="4.18354"
                           xFract="0.63323975"
                           y3="0.7106"
                           yFract="0.13745755"
                           z3="6.37204"
                           zFract="0.24915667"/>
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                           id="a12"
                           x3="5.67074"
                           xFract="0.63335814"
                           y3="3.29818"
                           yFract="0.6379957"
                           z3="6.51617"
                           zFract="0.24758006"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53736"
                           xFract="0.28223294"
                           y3="1.48782"
                           yFract="0.28780199"
                           z3="8.70031"
                           zFract="0.34739367"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.9847"
                           xFract="0.273379"
                           y3="4.09913"
                           yFract="0.79293043"
                           z3="8.86178"
                           zFract="0.34659178"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51848"
                           xFract="0.78640862"
                           y3="1.44477"
                           yFract="0.27947445"
                           z3="8.86757"
                           zFract="0.346835"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04712"
                           xFract="0.78692841"
                           y3="4.10032"
                           yFract="0.79316063"
                           z3="9.0527"
                           zFract="0.34673333"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94972"
                           xFract="0.43936663"
                           y3="2.31561"
                           yFract="0.44792862"
                           z3="10.21679"
                           zFract="0.40469274"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90455"
                           xFract="0.93529956"
                           y3="2.31234"
                           yFract="0.44729607"
                           z3="10.3974"
                           zFract="0.40468835"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42363"
                           xFract="0.44084999"
                           y3="4.86589"
                           yFract="0.9412515"
                           z3="10.39708"
                           zFract="0.40468264"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="O Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
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                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
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                           zFract="0.14999981"/>
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                           xFract="0.48604607"
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                           yFract="0.98604417"
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                           zFract="0.15000014"/>
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                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
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                           id="a8"
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                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           xFract="0.13256655"
                           y3="0.70811"
                           yFract="0.13697589"
                           z3="6.18857"
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                           xFract="0.13259097"
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                           yFract="0.63798216"
                           z3="6.37183"
                           zFract="0.24914993"/>
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                           xFract="0.63323522"
                           y3="0.71056"
                           yFract="0.13744981"
                           z3="6.37199"
                           zFract="0.24915481"/>
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                           id="a12"
                           x3="5.67071"
                           xFract="0.63335214"
                           y3="3.29819"
                           yFract="0.63799763"
                           z3="6.51616"
                           zFract="0.24757971"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53737"
                           xFract="0.28223173"
                           y3="1.48785"
                           yFract="0.28780779"
                           z3="8.7003"
                           zFract="0.34739319"/>
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                           x3="3.98466"
                           xFract="0.27337518"
                           y3="4.0991"
                           yFract="0.79292463"
                           z3="8.86179"
                           zFract="0.34659234"/>
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                           x3="5.51849"
                           xFract="0.7864209"
                           y3="1.44466"
                           yFract="0.27945317"
                           z3="8.86766"
                           zFract="0.34683881"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04705"
                           xFract="0.78693112"
                           y3="4.10017"
                           yFract="0.79313161"
                           z3="9.05269"
                           zFract="0.34673332"/>
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                           x3="3.94967"
                           xFract="0.43937173"
                           y3="2.31547"
                           yFract="0.44790154"
                           z3="10.21684"
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                           xFract="0.93532098"
                           y3="2.31217"
                           yFract="0.44726319"
                           z3="10.39749"
                           zFract="0.4046922"/>
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                           x3="5.42359"
                           xFract="0.44083749"
                           y3="4.86595"
                           yFract="0.94126311"
                           z3="10.3971"
                           zFract="0.40468347"/>
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                     <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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.44">
                  <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="1.19701"
                           xFract="0.1325486"
                           y3="0.70807"
                           yFract="0.13696815"
                           z3="6.18864"
                           zFract="0.24913469"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68512"
                           xFract="0.13259896"
                           y3="3.29794"
                           yFract="0.63794927"
                           z3="6.37174"
                           zFract="0.24914662"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18322"
                           xFract="0.63321884"
                           y3="0.71026"
                           yFract="0.13739178"
                           z3="6.3719"
                           zFract="0.24915223"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67065"
                           xFract="0.63334208"
                           y3="3.29819"
                           yFract="0.63799763"
                           z3="6.5161"
                           zFract="0.2475774"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53733"
                           xFract="0.28220671"
                           y3="1.48804"
                           yFract="0.28784454"
                           z3="8.70023"
                           zFract="0.34739015"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.98427"
                           xFract="0.27332037"
                           y3="4.09899"
                           yFract="0.79290335"
                           z3="8.86179"
                           zFract="0.34659347"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51852"
                           xFract="0.78650687"
                           y3="1.44382"
                           yFract="0.27929068"
                           z3="8.86811"
                           zFract="0.34685836"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.04655"
                           xFract="0.78692145"
                           y3="4.0994"
                           yFract="0.79298266"
                           z3="9.05283"
                           zFract="0.34674141"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94935"
                           xFract="0.43935853"
                           y3="2.31505"
                           yFract="0.44782029"
                           z3="10.21747"
                           zFract="0.40472229"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.90474"
                           xFract="0.93543068"
                           y3="2.31131"
                           yFract="0.44709683"
                           z3="10.39792"
                           zFract="0.40471064"/>
                     <atom elementType="O"
                           id="a19"
                           x3="5.42392"
                           xFract="0.44092946"
                           y3="4.86557"
                           yFract="0.9411896"
                           z3="10.39678"
                           zFract="0.4046701"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O3Ag16">
                     <atomArray count="3 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1773.8893999999993</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="19">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="19">0.002 0.001 0.001 0.001 0.000 0.000 0.000 -0.001 0.001 0.001 0.001 0.003 -0.013 -0.008 -0.008 -0.008 0.008 0.008 0.008</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="19">0.001 0.001 0.001 0.001 0.000 0.000 0.000 0.000 0.001 0.001 0.001 0.001 -0.002 -0.005 -0.005 -0.005 0.526 0.524 0.525</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="19">0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 -0.000 0.182 0.077 0.076 0.076 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="19">0.003 0.003 0.003 0.003 0.002 0.002 0.002 0.001 0.003 0.003 0.003 0.003 0.167 0.064 0.063 0.063 0.534 0.532 0.533</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.003</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">1.567</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.419</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">1.983</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-33.24387589</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-33.22783910</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-33.23853029</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-6.2284</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5566900E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="3.00146"
                        xFract="0.33604563"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.46751"
                        zFract="0.04999987"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="4.48636"
                        xFract="0.33604611"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.64995"
                        zFract="0.05000019"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.98242"
                        xFract="0.8360463"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.64995"
                        zFract="0.05000019"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46732"
                        xFract="0.83604678"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.83238"
                        zFract="0.05000009"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.34121"
                        xFract="0.48604463"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.02155"
                        zFract="0.14999981"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="5.82611"
                        xFract="0.48604607"
                        y3="5.09745"
                        yFract="0.98604417"
                        z3="4.20399"
                        zFract="0.15000014"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217"
                        xFract="0.9860453"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.20399"
                        zFract="0.15000013"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="8.80706"
                        xFract="0.98604507"
                        y3="5.09745"
                        yFract="0.98604417"
                        z3="4.38642"
                        zFract="0.15000008"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="1.19701"
                        xFract="0.1325486"
                        y3="0.70807"
                        yFract="0.13696815"
                        z3="6.18864"
                        zFract="0.24913469"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.68512"
                        xFract="0.13259896"
                        y3="3.29794"
                        yFract="0.63794927"
                        z3="6.37174"
                        zFract="0.24914662"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.18322"
                        xFract="0.63321884"
                        y3="0.71026"
                        yFract="0.13739178"
                        z3="6.3719"
                        zFract="0.24915223"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.67065"
                        xFract="0.63334208"
                        y3="3.29819"
                        yFract="0.63799763"
                        z3="6.5161"
                        zFract="0.2475774"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.53733"
                        xFract="0.28220671"
                        y3="1.48804"
                        yFract="0.28784454"
                        z3="8.70023"
                        zFract="0.34739015"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="3.98427"
                        xFract="0.27332037"
                        y3="4.09899"
                        yFract="0.79290335"
                        z3="8.86179"
                        zFract="0.34659347"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.51852"
                        xFract="0.78650687"
                        y3="1.44382"
                        yFract="0.27929068"
                        z3="8.86811"
                        zFract="0.34685836"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.04655"
                        xFract="0.78692145"
                        y3="4.0994"
                        yFract="0.79298266"
                        z3="9.05283"
                        zFract="0.34674141"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.94935"
                        xFract="0.43935853"
                        y3="2.31505"
                        yFract="0.44782029"
                        z3="10.21747"
                        zFract="0.40472229"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.90474"
                        xFract="0.93543068"
                        y3="2.31131"
                        yFract="0.44709683"
                        z3="10.39792"
                        zFract="0.40471064"/>
                  <atom elementType="O"
                        id="a19"
                        x3="5.42392"
                        xFract="0.44092946"
                        y3="4.86557"
                        yFract="0.9411896"
                        z3="10.39678"
                        zFract="0.4046701"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                  <bond atomRefs2="a6 a8" 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 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="O3Ag16">
                  <atomArray count="3 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1773.8893999999993</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
