<?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">2025-04-04T20:37:28.000</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="1.19793188"
                        xFract="0.13445948"
                        y3="0.6898435"
                        yFract="0.13344244"
                        z3="6.19295512"
                        zFract="0.24933531"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.69064515"
                        xFract="0.13615555"
                        y3="3.27064732"
                        yFract="0.63266981"
                        z3="6.32843262"
                        zFract="0.24740077"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.17931798"
                        xFract="0.63432079"
                        y3="0.69203154"
                        yFract="0.13386569"
                        z3="6.37517902"
                        zFract="0.24932255"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.67150751"
                        xFract="0.63614338"
                        y3="3.27061061"
                        yFract="0.63266271"
                        z3="6.51199775"
                        zFract="0.24744741"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.52503419"
                        xFract="0.29241674"
                        y3="1.36067608"
                        yFract="0.26320743"
                        z3="8.74275668"
                        zFract="0.34934511"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.02591934"
                        xFract="0.28036607"
                        y3="4.09836938"
                        yFract="0.7927833"
                        z3="8.83271479"
                        zFract="0.34530073"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.50998325"
                        xFract="0.79303888"
                        y3="1.36117029"
                        yFract="0.26330303"
                        z3="8.92964986"
                        zFract="0.34951689"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.00792388"
                        xFract="0.77996292"
                        y3="4.10437851"
                        yFract="0.7939457"
                        z3="9.01080869"
                        zFract="0.34511194"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.93509413"
                        xFract="0.43443906"
                        y3="2.34128894"
                        yFract="0.45289592"
                        z3="10.10234425"
                        zFract="0.40001054"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.92121808"
                        xFract="0.93407532"
                        y3="2.35405985"
                        yFract="0.45536631"
                        z3="10.28530801"
                        zFract="0.40000085"/>
               </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 a6" order="S"/>
                  <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="O2Ag16">
                  <atomArray count="2 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1757.8899999999994</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="1.19793188"
                        xFract="0.13445948"
                        y3="0.68984353"
                        yFract="0.13344244"
                        z3="6.19295522"
                        zFract="0.24933531"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.69064516"
                        xFract="0.13615555"
                        y3="3.27064733"
                        yFract="0.63266981"
                        z3="6.3284326"
                        zFract="0.24740077"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.17931798"
                        xFract="0.63432079"
                        y3="0.69203153"
                        yFract="0.13386569"
                        z3="6.37517904"
                        zFract="0.24932255"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.67150751"
                        xFract="0.63614338"
                        y3="3.27061061"
                        yFract="0.63266271"
                        z3="6.51199767"
                        zFract="0.24744741"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.52503418"
                        xFract="0.29241674"
                        y3="1.36067607"
                        yFract="0.26320743"
                        z3="8.74275678"
                        zFract="0.34934511"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.0259193"
                        xFract="0.28036607"
                        y3="4.09836936"
                        yFract="0.7927833"
                        z3="8.83271481"
                        zFract="0.34530073"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.50998321"
                        xFract="0.79303888"
                        y3="1.36117026"
                        yFract="0.26330303"
                        z3="8.92964983"
                        zFract="0.34951689"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.00792388"
                        xFract="0.77996292"
                        y3="4.10437849"
                        yFract="0.7939457"
                        z3="9.01080861"
                        zFract="0.34511194"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.93509411"
                        xFract="0.43443906"
                        y3="2.34128893"
                        yFract="0.45289592"
                        z3="10.10234425"
                        zFract="0.40001054"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.92121808"
                        xFract="0.93407532"
                        y3="2.35405984"
                        yFract="0.45536631"
                        z3="10.28530811"
                        zFract="0.40000085"/>
               </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 a6" order="S"/>
                  <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="O2Ag16">
                  <atomArray count="2 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1757.8899999999994</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">188.7520</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 2</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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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
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                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           x3="4.34121"
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                           y3="2.51266"
                           yFract="0.48604572"
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                           x3="5.82611"
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                           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"/>
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                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           x3="1.19793"
                           xFract="0.1344595"
                           y3="0.68984"
                           yFract="0.13344176"
                           z3="6.19296"
                           zFract="0.24933552"/>
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                           id="a10"
                           x3="2.69065"
                           xFract="0.13615611"
                           y3="3.27065"
                           yFract="0.63267033"
                           z3="6.32843"
                           zFract="0.24740065"/>
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                           id="a11"
                           x3="4.17932"
                           xFract="0.63432128"
                           y3="0.69203"
                           yFract="0.13386539"
                           z3="6.37518"
                           zFract="0.24932259"/>
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                           id="a12"
                           x3="5.67151"
                           xFract="0.63614386"
                           y3="3.27061"
                           yFract="0.63266259"
                           z3="6.5120"
                           zFract="0.2474475"/>
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                           id="a13"
                           x3="2.52503"
                           xFract="0.29241566"
                           y3="1.36068"
                           yFract="0.26320819"
                           z3="8.74276"
                           zFract="0.34934525"/>
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                           id="a14"
                           x3="4.02592"
                           xFract="0.28036612"
                           y3="4.09837"
                           yFract="0.79278342"
                           z3="8.83271"
                           zFract="0.34530053"/>
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                           id="a15"
                           x3="5.50998"
                           xFract="0.79303836"
                           y3="1.36117"
                           yFract="0.26330297"
                           z3="8.92965"
                           zFract="0.3495169"/>
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                           id="a16"
                           x3="7.00792"
                           xFract="0.77996213"
                           y3="4.10438"
                           yFract="0.79394599"
                           z3="9.01081"
                           zFract="0.345112"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93509"
                           xFract="0.43443827"
                           y3="2.34129"
                           yFract="0.45289613"
                           z3="10.10234"
                           zFract="0.40001037"/>
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                           id="a18"
                           x3="6.92122"
                           xFract="0.93407563"
                           y3="2.35406"
                           yFract="0.45536634"
                           z3="10.28531"
                           zFract="0.40000093"/>
                  </atomArray>
                  <bondArray>
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                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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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"
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <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="1.19791"
                           xFract="0.13444169"
                           y3="0.68999"
                           yFract="0.13347078"
                           z3="6.19304"
                           zFract="0.24933862"/>
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                           id="a10"
                           x3="2.69065"
                           xFract="0.1361667"
                           y3="3.27054"
                           yFract="0.63264905"
                           z3="6.32844"
                           zFract="0.24740122"/>
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                           id="a11"
                           x3="4.17933"
                           xFract="0.63430657"
                           y3="0.6922"
                           yFract="0.13389828"
                           z3="6.37522"
                           zFract="0.24932395"/>
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                           id="a12"
                           x3="5.6715"
                           xFract="0.63615182"
                           y3="3.27051"
                           yFract="0.63264325"
                           z3="6.51199"
                           zFract="0.24744726"/>
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                           id="a13"
                           x3="2.52512"
                           xFract="0.29253482"
                           y3="1.3596"
                           yFract="0.26299927"
                           z3="8.74081"
                           zFract="0.34926682"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02598"
                           xFract="0.2803521"
                           y3="4.09862"
                           yFract="0.79283178"
                           z3="8.83172"
                           zFract="0.34525952"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51016"
                           xFract="0.79316877"
                           y3="1.36013"
                           yFract="0.2631018"
                           z3="8.92772"
                           zFract="0.34943901"/>
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                           id="a16"
                           x3="7.00794"
                           xFract="0.77994525"
                           y3="4.10459"
                           yFract="0.79398661"
                           z3="9.00981"
                           zFract="0.34507074"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93485"
                           xFract="0.43431129"
                           y3="2.34219"
                           yFract="0.45307022"
                           z3="10.10549"
                           zFract="0.40013853"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92104"
                           xFract="0.93396257"
                           y3="2.35492"
                           yFract="0.4555327"
                           z3="10.28832"
                           zFract="0.40012326"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19786"
                           xFract="0.13438995"
                           y3="0.69044"
                           yFract="0.13355783"
                           z3="6.1933"
                           zFract="0.24934873"/>
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                           id="a10"
                           x3="2.69066"
                           xFract="0.13620018"
                           y3="3.27021"
                           yFract="0.63258522"
                           z3="6.32844"
                           zFract="0.24740167"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17935"
                           xFract="0.63426271"
                           y3="0.69269"
                           yFract="0.13399306"
                           z3="6.37532"
                           zFract="0.24932728"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67148"
                           xFract="0.6361764"
                           y3="3.27022"
                           yFract="0.63258715"
                           z3="6.51197"
                           zFract="0.24744691"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52538"
                           xFract="0.29288966"
                           y3="1.35637"
                           yFract="0.26237447"
                           z3="8.73498"
                           zFract="0.34903236"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02617"
                           xFract="0.2803117"
                           y3="4.09937"
                           yFract="0.79297686"
                           z3="8.82873"
                           zFract="0.34513565"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51071"
                           xFract="0.79356262"
                           y3="1.3570"
                           yFract="0.26249633"
                           z3="8.92195"
                           zFract="0.34920614"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00801"
                           xFract="0.77989435"
                           y3="4.10524"
                           yFract="0.79411234"
                           z3="9.00683"
                           zFract="0.34494772"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93414"
                           xFract="0.43393204"
                           y3="2.34489"
                           yFract="0.45359251"
                           z3="10.11491"
                           zFract="0.40052174"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.9205"
                           xFract="0.93362147"
                           y3="2.35752"
                           yFract="0.45603564"
                           z3="10.29736"
                           zFract="0.40049064"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           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"
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                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
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                           xFract="0.13428478"
                           y3="0.69134"
                           yFract="0.13373192"
                           z3="6.19383"
                           zFract="0.24936939"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69068"
                           xFract="0.13626617"
                           y3="3.26956"
                           yFract="0.63245948"
                           z3="6.32846"
                           zFract="0.24740338"/>
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                           x3="4.17939"
                           xFract="0.63417499"
                           y3="0.69367"
                           yFract="0.13418263"
                           z3="6.37554"
                           zFract="0.24933476"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67144"
                           xFract="0.63622558"
                           y3="3.26964"
                           yFract="0.63247496"
                           z3="6.51194"
                           zFract="0.24744662"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52591"
                           xFract="0.29360103"
                           y3="1.34991"
                           yFract="0.26112485"
                           z3="8.72331"
                           zFract="0.34856302"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02655"
                           xFract="0.2802309"
                           y3="4.10087"
                           yFract="0.79326702"
                           z3="8.82275"
                           zFract="0.3448879"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5118"
                           xFract="0.79434768"
                           y3="1.35075"
                           yFract="0.26128734"
                           z3="8.91039"
                           zFract="0.34873958"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00813"
                           xFract="0.77978922"
                           y3="4.10654"
                           yFract="0.79436381"
                           z3="9.00087"
                           zFract="0.34470173"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9327"
                           xFract="0.43317017"
                           y3="2.35029"
                           yFract="0.45463707"
                           z3="10.13376"
                           zFract="0.40128861"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.91943"
                           xFract="0.9329419"
                           y3="2.36271"
                           yFract="0.45703958"
                           z3="10.31543"
                           zFract="0.40122499"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
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                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19778"
                           xFract="0.1343139"
                           y3="0.69109"
                           yFract="0.13368356"
                           z3="6.19368"
                           zFract="0.24936354"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69067"
                           xFract="0.13624715"
                           y3="3.26974"
                           yFract="0.6324943"
                           z3="6.32846"
                           zFract="0.24740314"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17938"
                           xFract="0.63420029"
                           y3="0.69339"
                           yFract="0.13412847"
                           z3="6.37548"
                           zFract="0.24933274"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67145"
                           xFract="0.63621184"
                           y3="3.2698"
                           yFract="0.63250591"
                           z3="6.51195"
                           zFract="0.24744678"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52576"
                           xFract="0.29340146"
                           y3="1.35172"
                           yFract="0.26147498"
                           z3="8.72659"
                           zFract="0.34869494"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02644"
                           xFract="0.28025292"
                           y3="4.10045"
                           yFract="0.79318577"
                           z3="8.82443"
                           zFract="0.34495751"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51149"
                           xFract="0.79412609"
                           y3="1.35251"
                           yFract="0.26162779"
                           z3="8.91364"
                           zFract="0.34887075"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00809"
                           xFract="0.7798172"
                           y3="4.10618"
                           yFract="0.79429418"
                           z3="9.00254"
                           zFract="0.34477067"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9331"
                           xFract="0.43338277"
                           y3="2.34878"
                           yFract="0.45434498"
                           z3="10.12847"
                           zFract="0.4010734"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.91973"
                           xFract="0.9331329"
                           y3="2.36125"
                           yFract="0.45675716"
                           z3="10.31036"
                           zFract="0.40101895"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19778"
                           xFract="0.13428499"
                           y3="0.69139"
                           yFract="0.13374159"
                           z3="6.19282"
                           zFract="0.24932792"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69061"
                           xFract="0.1362631"
                           y3="3.26947"
                           yFract="0.63244207"
                           z3="6.32824"
                           zFract="0.24739468"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17944"
                           xFract="0.63418723"
                           y3="0.69363"
                           yFract="0.13417489"
                           z3="6.37456"
                           zFract="0.24929461"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67142"
                           xFract="0.6362309"
                           y3="3.26955"
                           yFract="0.63245755"
                           z3="6.51171"
                           zFract="0.2474374"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5259"
                           xFract="0.29321585"
                           y3="1.35389"
                           yFract="0.26189474"
                           z3="8.72604"
                           zFract="0.34866895"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02625"
                           xFract="0.28052457"
                           y3="4.0973"
                           yFract="0.79257644"
                           z3="8.82397"
                           zFract="0.34494373"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51161"
                           xFract="0.79393134"
                           y3="1.35474"
                           yFract="0.26205916"
                           z3="8.91313"
                           zFract="0.34884636"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00784"
                           xFract="0.78005566"
                           y3="4.10327"
                           yFract="0.79373127"
                           z3="9.00199"
                           zFract="0.34475301"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93336"
                           xFract="0.43326546"
                           y3="2.35045"
                           yFract="0.45466802"
                           z3="10.13131"
                           zFract="0.4011865"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.91972"
                           xFract="0.93303583"
                           y3="2.36224"
                           yFract="0.45694867"
                           z3="10.31343"
                           zFract="0.40114313"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19778"
                           xFract="0.13419923"
                           y3="0.69228"
                           yFract="0.13391375"
                           z3="6.19026"
                           zFract="0.24922191"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.6904"
                           xFract="0.13630496"
                           y3="3.26867"
                           yFract="0.63228732"
                           z3="6.32757"
                           zFract="0.24736896"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17963"
                           xFract="0.63414972"
                           y3="0.69435"
                           yFract="0.13431417"
                           z3="6.37179"
                           zFract="0.24917978"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67133"
                           xFract="0.63628904"
                           y3="3.26879"
                           yFract="0.63231053"
                           z3="6.51101"
                           zFract="0.24741009"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52634"
                           xFract="0.29266237"
                           y3="1.3604"
                           yFract="0.26315403"
                           z3="8.72439"
                           zFract="0.34859092"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02569"
                           xFract="0.28133929"
                           y3="4.08787"
                           yFract="0.79075231"
                           z3="8.8226"
                           zFract="0.34490275"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51197"
                           xFract="0.7933471"
                           y3="1.36143"
                           yFract="0.26335327"
                           z3="8.91162"
                           zFract="0.348774"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0071"
                           xFract="0.78077178"
                           y3="4.09455"
                           yFract="0.79204448"
                           z3="9.00031"
                           zFract="0.34469878"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93413"
                           xFract="0.43290994"
                           y3="2.35548"
                           yFract="0.45564102"
                           z3="10.13984"
                           zFract="0.40152622"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.91972"
                           xFract="0.93274965"
                           y3="2.36521"
                           yFract="0.45752318"
                           z3="10.32267"
                           zFract="0.4015168"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19778"
                           xFract="0.13415973"
                           y3="0.69269"
                           yFract="0.13399306"
                           z3="6.1891"
                           zFract="0.24917387"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69031"
                           xFract="0.13632455"
                           y3="3.26831"
                           yFract="0.63221768"
                           z3="6.32728"
                           zFract="0.24735785"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17971"
                           xFract="0.63413231"
                           y3="0.69467"
                           yFract="0.13437607"
                           z3="6.37055"
                           zFract="0.24912839"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6713"
                           xFract="0.63631677"
                           y3="3.26845"
                           yFract="0.63224476"
                           z3="6.5107"
                           zFract="0.24739797"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52653"
                           xFract="0.29241287"
                           y3="1.36332"
                           yFract="0.26371887"
                           z3="8.72366"
                           zFract="0.34855635"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02544"
                           xFract="0.28170495"
                           y3="4.08364"
                           yFract="0.78993407"
                           z3="8.82198"
                           zFract="0.34488415"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51214"
                           xFract="0.79308558"
                           y3="1.36444"
                           yFract="0.26393552"
                           z3="8.91095"
                           zFract="0.3487418"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00676"
                           xFract="0.7810915"
                           y3="4.09064"
                           yFract="0.79128814"
                           z3="8.99956"
                           zFract="0.34467461"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93447"
                           xFract="0.4327492"
                           y3="2.35774"
                           yFract="0.45607819"
                           z3="10.14367"
                           zFract="0.40167877"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.91971"
                           xFract="0.93261982"
                           y3="2.36654"
                           yFract="0.45778045"
                           z3="10.32681"
                           zFract="0.40168425"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19755"
                           xFract="0.13420401"
                           y3="0.69183"
                           yFract="0.13382671"
                           z3="6.18925"
                           zFract="0.24918182"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69036"
                           xFract="0.13632619"
                           y3="3.26838"
                           yFract="0.63223122"
                           z3="6.32654"
                           zFract="0.24732735"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.1794"
                           xFract="0.63415643"
                           y3="0.69388"
                           yFract="0.13422325"
                           z3="6.37068"
                           zFract="0.24913563"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67129"
                           xFract="0.63631027"
                           y3="3.2685"
                           yFract="0.63225444"
                           z3="6.50991"
                           zFract="0.24736561"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52671"
                           xFract="0.29224168"
                           y3="1.36541"
                           yFract="0.26412315"
                           z3="8.72567"
                           zFract="0.34863509"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02533"
                           xFract="0.28160074"
                           y3="4.08453"
                           yFract="0.79010623"
                           z3="8.82071"
                           zFract="0.34483118"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51183"
                           xFract="0.79286881"
                           y3="1.36615"
                           yFract="0.2642663"
                           z3="8.91248"
                           zFract="0.34880269"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00659"
                           xFract="0.78106781"
                           y3="4.09059"
                           yFract="0.79127847"
                           z3="8.99908"
                           zFract="0.34465548"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93546"
                           xFract="0.43298848"
                           y3="2.35698"
                           yFract="0.45593118"
                           z3="10.14549"
                           zFract="0.40175184"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.91972"
                           xFract="0.93268413"
                           y3="2.36589"
                           yFract="0.45765472"
                           z3="10.32859"
                           zFract="0.40175799"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19685"
                           xFract="0.13433328"
                           y3="0.68927"
                           yFract="0.1333315"
                           z3="6.18969"
                           zFract="0.24920528"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.6905"
                           xFract="0.13632944"
                           y3="3.26859"
                           yFract="0.63227184"
                           z3="6.32431"
                           zFract="0.24723547"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17848"
                           xFract="0.63423049"
                           y3="0.69151"
                           yFract="0.1337648"
                           z3="6.37106"
                           zFract="0.24915691"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67129"
                           xFract="0.63629389"
                           y3="3.26867"
                           yFract="0.63228732"
                           z3="6.50753"
                           zFract="0.24726801"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52726"
                           xFract="0.29172977"
                           y3="1.37168"
                           yFract="0.26533601"
                           z3="8.73173"
                           zFract="0.34887253"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02501"
                           xFract="0.28129076"
                           y3="4.08719"
                           yFract="0.79062078"
                           z3="8.81689"
                           zFract="0.34467186"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51091"
                           xFract="0.79221922"
                           y3="1.37129"
                           yFract="0.26526057"
                           z3="8.9171"
                           zFract="0.34898653"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00606"
                           xFract="0.78099433"
                           y3="4.09043"
                           yFract="0.79124752"
                           z3="8.99765"
                           zFract="0.34459854"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93842"
                           xFract="0.43370273"
                           y3="2.35472"
                           yFract="0.45549401"
                           z3="10.15093"
                           zFract="0.40197024"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.91975"
                           xFract="0.93287802"
                           y3="2.36393"
                           yFract="0.45727558"
                           z3="10.33391"
                           zFract="0.40197837"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19658"
                           xFract="0.13424463"
                           y3="0.68972"
                           yFract="0.13341855"
                           z3="6.19066"
                           zFract="0.24924499"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69018"
                           xFract="0.13635093"
                           y3="3.26781"
                           yFract="0.63212096"
                           z3="6.32326"
                           zFract="0.24719445"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17794"
                           xFract="0.63418038"
                           y3="0.69109"
                           yFract="0.13368356"
                           z3="6.37234"
                           zFract="0.24921123"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67122"
                           xFract="0.6363602"
                           y3="3.26786"
                           yFract="0.63213063"
                           z3="6.50645"
                           zFract="0.24722517"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52744"
                           xFract="0.29165686"
                           y3="1.37275"
                           yFract="0.26554299"
                           z3="8.73404"
                           zFract="0.34896502"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02446"
                           xFract="0.281159"
                           y3="4.0876"
                           yFract="0.79070009"
                           z3="8.81699"
                           zFract="0.34467674"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51095"
                           xFract="0.79218353"
                           y3="1.37173"
                           yFract="0.26534569"
                           z3="8.91852"
                           zFract="0.34904388"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00545"
                           xFract="0.78084769"
                           y3="4.09089"
                           yFract="0.7913365"
                           z3="8.99812"
                           zFract="0.34461862"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.93988"
                           xFract="0.43379827"
                           y3="2.35627"
                           yFract="0.45579384"
                           z3="10.15455"
                           zFract="0.40211242"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92152"
                           xFract="0.93304771"
                           y3="2.36525"
                           yFract="0.45753092"
                           z3="10.33719"
                           zFract="0.40210621"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19577"
                           xFract="0.13397676"
                           y3="0.69109"
                           yFract="0.13368356"
                           z3="6.19359"
                           zFract="0.24936489"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68924"
                           xFract="0.1364197"
                           y3="3.26546"
                           yFract="0.63166638"
                           z3="6.32011"
                           zFract="0.24707135"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17635"
                           xFract="0.63403606"
                           y3="0.68982"
                           yFract="0.13343789"
                           z3="6.3762"
                           zFract="0.24937495"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67103"
                           xFract="0.63656344"
                           y3="3.26542"
                           yFract="0.63165864"
                           z3="6.50323"
                           zFract="0.24709747"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52798"
                           xFract="0.29144006"
                           y3="1.37594"
                           yFract="0.26616006"
                           z3="8.74096"
                           zFract="0.34924212"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0228"
                           xFract="0.28076301"
                           y3="4.08882"
                           yFract="0.79093608"
                           z3="8.8173"
                           zFract="0.34469181"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51109"
                           xFract="0.79207886"
                           y3="1.37306"
                           yFract="0.26560296"
                           z3="8.9228"
                           zFract="0.34921669"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00361"
                           xFract="0.78040705"
                           y3="4.09226"
                           yFract="0.79160151"
                           z3="8.99953"
                           zFract="0.34467892"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94427"
                           xFract="0.43408751"
                           y3="2.36091"
                           yFract="0.45669139"
                           z3="10.16542"
                           zFract="0.40253936"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92683"
                           xFract="0.93355775"
                           y3="2.3692"
                           yFract="0.458295"
                           z3="10.34703"
                           zFract="0.40248971"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19594"
                           xFract="0.13403321"
                           y3="0.6908"
                           yFract="0.13362746"
                           z3="6.19297"
                           zFract="0.24933952"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68943"
                           xFract="0.13640435"
                           y3="3.26595"
                           yFract="0.63176117"
                           z3="6.32077"
                           zFract="0.24709717"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17668"
                           xFract="0.63406636"
                           y3="0.69008"
                           yFract="0.13348819"
                           z3="6.37539"
                           zFract="0.24934061"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67107"
                           xFract="0.63652101"
                           y3="3.26593"
                           yFract="0.6317573"
                           z3="6.5039"
                           zFract="0.24712403"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52786"
                           xFract="0.29148449"
                           y3="1.37527"
                           yFract="0.26603046"
                           z3="8.73951"
                           zFract="0.34918408"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02315"
                           xFract="0.2808458"
                           y3="4.08857"
                           yFract="0.79088772"
                           z3="8.81724"
                           zFract="0.34468884"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51106"
                           xFract="0.79210081"
                           y3="1.37278"
                           yFract="0.2655488"
                           z3="8.9219"
                           zFract="0.34918035"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00399"
                           xFract="0.78049873"
                           y3="4.09197"
                           yFract="0.79154541"
                           z3="8.99923"
                           zFract="0.34466612"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94335"
                           xFract="0.43402763"
                           y3="2.35993"
                           yFract="0.45650182"
                           z3="10.16313"
                           zFract="0.40244941"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92571"
                           xFract="0.93344987"
                           y3="2.36837"
                           yFract="0.45813445"
                           z3="10.34497"
                           zFract="0.40240945"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19563"
                           xFract="0.13394075"
                           y3="0.69122"
                           yFract="0.13370871"
                           z3="6.19458"
                           zFract="0.24940555"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68921"
                           xFract="0.13643683"
                           y3="3.26523"
                           yFract="0.63162189"
                           z3="6.32122"
                           zFract="0.24711717"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17629"
                           xFract="0.6339836"
                           y3="0.69026"
                           yFract="0.13352301"
                           z3="6.37718"
                           zFract="0.24941455"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67054"
                           xFract="0.63651209"
                           y3="3.2651"
                           yFract="0.63159674"
                           z3="6.50409"
                           zFract="0.24713434"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52918"
                           xFract="0.29164519"
                           y3="1.3759"
                           yFract="0.26615233"
                           z3="8.74241"
                           zFract="0.34929849"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02241"
                           xFract="0.28083153"
                           y3="4.08743"
                           yFract="0.7906672"
                           z3="8.81915"
                           zFract="0.34477047"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51226"
                           xFract="0.79218357"
                           y3="1.37401"
                           yFract="0.26578673"
                           z3="8.92454"
                           zFract="0.34928356"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00283"
                           xFract="0.78033982"
                           y3="4.0916"
                           yFract="0.79147384"
                           z3="9.00098"
                           zFract="0.34474115"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9456"
                           xFract="0.4340196"
                           y3="2.36393"
                           yFract="0.45727558"
                           z3="10.1652"
                           zFract="0.40252266"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92682"
                           xFract="0.93345972"
                           y3="2.3702"
                           yFract="0.45848844"
                           z3="10.34641"
                           zFract="0.40246292"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19556"
                           xFract="0.13392033"
                           y3="0.69131"
                           yFract="0.13372612"
                           z3="6.19492"
                           zFract="0.2494195"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68917"
                           xFract="0.13644554"
                           y3="3.26507"
                           yFract="0.63159094"
                           z3="6.32131"
                           zFract="0.24712118"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.1762"
                           xFract="0.63396465"
                           y3="0.6903"
                           yFract="0.13353074"
                           z3="6.37757"
                           zFract="0.24943067"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67043"
                           xFract="0.63651098"
                           y3="3.26492"
                           yFract="0.63156192"
                           z3="6.50412"
                           zFract="0.2471361"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.52947"
                           xFract="0.29168034"
                           y3="1.37604"
                           yFract="0.26617941"
                           z3="8.74303"
                           zFract="0.34932292"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02225"
                           xFract="0.28082878"
                           y3="4.08718"
                           yFract="0.79061884"
                           z3="8.81956"
                           zFract="0.34478801"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51252"
                           xFract="0.79220212"
                           y3="1.37427"
                           yFract="0.26583702"
                           z3="8.92511"
                           zFract="0.34930585"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00258"
                           xFract="0.78030559"
                           y3="4.09152"
                           yFract="0.79145837"
                           z3="9.00136"
                           zFract="0.34475743"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94608"
                           xFract="0.43401724"
                           y3="2.36479"
                           yFract="0.45744194"
                           z3="10.16564"
                           zFract="0.40253821"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92706"
                           xFract="0.93346143"
                           y3="2.3706"
                           yFract="0.45856581"
                           z3="10.34672"
                           zFract="0.40247443"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19543"
                           xFract="0.13388022"
                           y3="0.6915"
                           yFract="0.13376287"
                           z3="6.19561"
                           zFract="0.24944778"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68907"
                           xFract="0.1364596"
                           y3="3.26475"
                           yFract="0.63152904"
                           z3="6.3215"
                           zFract="0.24712967"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17603"
                           xFract="0.63392843"
                           y3="0.69038"
                           yFract="0.13354622"
                           z3="6.37834"
                           zFract="0.24946248"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6702"
                           xFract="0.63650709"
                           y3="3.26456"
                           yFract="0.63149229"
                           z3="6.5042"
                           zFract="0.24714047"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53004"
                           xFract="0.29174993"
                           y3="1.37631"
                           yFract="0.26623164"
                           z3="8.74429"
                           zFract="0.34937265"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02193"
                           xFract="0.28082232"
                           y3="4.08669"
                           yFract="0.79052406"
                           z3="8.82038"
                           zFract="0.34482306"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51304"
                           xFract="0.79223827"
                           y3="1.3748"
                           yFract="0.26593954"
                           z3="8.92625"
                           zFract="0.34935041"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00208"
                           xFract="0.78023618"
                           y3="4.09137"
                           yFract="0.79142935"
                           z3="9.00212"
                           zFract="0.34478999"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94705"
                           xFract="0.43401324"
                           y3="2.36652"
                           yFract="0.45777658"
                           z3="10.16653"
                           zFract="0.40256968"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92754"
                           xFract="0.93346678"
                           y3="2.37138"
                           yFract="0.4587167"
                           z3="10.34735"
                           zFract="0.40249786"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19516"
                           xFract="0.13380025"
                           y3="0.69186"
                           yFract="0.13383251"
                           z3="6.19699"
                           zFract="0.24950438"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68888"
                           xFract="0.13648747"
                           y3="3.26413"
                           yFract="0.63140911"
                           z3="6.32188"
                           zFract="0.24714659"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17569"
                           xFract="0.63385695"
                           y3="0.69053"
                           yFract="0.13357523"
                           z3="6.37989"
                           zFract="0.24952652"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66974"
                           xFract="0.63649931"
                           y3="3.26384"
                           yFract="0.63135301"
                           z3="6.50436"
                           zFract="0.24714921"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53118"
                           xFract="0.29188911"
                           y3="1.37685"
                           yFract="0.26633609"
                           z3="8.74679"
                           zFract="0.34947128"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0213"
                           xFract="0.28081108"
                           y3="4.08571"
                           yFract="0.79033449"
                           z3="8.82203"
                           zFract="0.34489356"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51407"
                           xFract="0.7923089"
                           y3="1.37586"
                           yFract="0.26614459"
                           z3="8.92853"
                           zFract="0.34943956"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00108"
                           xFract="0.78009928"
                           y3="4.09105"
                           yFract="0.79136745"
                           z3="9.00363"
                           zFract="0.34485473"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94899"
                           xFract="0.43400621"
                           y3="2.36997"
                           yFract="0.45844395"
                           z3="10.16831"
                           zFract="0.40263264"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92851"
                           xFract="0.93347724"
                           y3="2.37296"
                           yFract="0.45902233"
                           z3="10.34859"
                           zFract="0.40254387"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.1953"
                           xFract="0.13384204"
                           y3="0.69167"
                           yFract="0.13379576"
                           z3="6.19627"
                           zFract="0.24947485"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68898"
                           xFract="0.13647244"
                           y3="3.26446"
                           yFract="0.63147294"
                           z3="6.32168"
                           zFract="0.24713768"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17587"
                           xFract="0.63389485"
                           y3="0.69045"
                           yFract="0.13355976"
                           z3="6.37907"
                           zFract="0.24949264"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66998"
                           xFract="0.63650295"
                           y3="3.26422"
                           yFract="0.63142652"
                           z3="6.50428"
                           zFract="0.24714479"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53058"
                           xFract="0.29181642"
                           y3="1.37656"
                           yFract="0.26628"
                           z3="8.74547"
                           zFract="0.3494192"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02163"
                           xFract="0.28081633"
                           y3="4.08623"
                           yFract="0.79043507"
                           z3="8.82116"
                           zFract="0.34485639"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51353"
                           xFract="0.79227228"
                           y3="1.3753"
                           yFract="0.26603626"
                           z3="8.92733"
                           zFract="0.34939264"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0016"
                           xFract="0.78017109"
                           y3="4.09121"
                           yFract="0.7913984"
                           z3="9.00283"
                           zFract="0.34482047"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94797"
                           xFract="0.43401049"
                           y3="2.36815"
                           yFract="0.45809189"
                           z3="10.16737"
                           zFract="0.40259938"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.9280"
                           xFract="0.93347167"
                           y3="2.37213"
                           yFract="0.45886178"
                           z3="10.34794"
                           zFract="0.40251976"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19521"
                           xFract="0.13389439"
                           y3="0.69097"
                           yFract="0.13366035"
                           z3="6.1988"
                           zFract="0.24957959"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68892"
                           xFract="0.13640264"
                           y3="3.26508"
                           yFract="0.63159287"
                           z3="6.32402"
                           zFract="0.24723265"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17574"
                           xFract="0.63389713"
                           y3="0.6902"
                           yFract="0.1335114"
                           z3="6.38129"
                           zFract="0.24958414"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66954"
                           xFract="0.63638482"
                           y3="3.26468"
                           yFract="0.6315155"
                           z3="6.50631"
                           zFract="0.24722826"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53287"
                           xFract="0.29224581"
                           y3="1.37609"
                           yFract="0.26618908"
                           z3="8.74872"
                           zFract="0.3495471"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02127"
                           xFract="0.28058443"
                           y3="4.08801"
                           yFract="0.7907794"
                           z3="8.82212"
                           zFract="0.34489398"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51541"
                           xFract="0.792551"
                           y3="1.37568"
                           yFract="0.26610977"
                           z3="8.93045"
                           zFract="0.34951501"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00115"
                           xFract="0.77997323"
                           y3="4.09248"
                           yFract="0.79164407"
                           z3="9.00377"
                           zFract="0.34485821"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94948"
                           xFract="0.4340672"
                           y3="2.37019"
                           yFract="0.4584865"
                           z3="10.16856"
                           zFract="0.40264132"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92861"
                           xFract="0.93344776"
                           y3="2.37344"
                           yFract="0.45911518"
                           z3="10.34847"
                           zFract="0.40253802"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19519"
                           xFract="0.13390742"
                           y3="0.6908"
                           yFract="0.13362746"
                           z3="6.19941"
                           zFract="0.24960484"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68891"
                           xFract="0.13638747"
                           y3="3.26522"
                           yFract="0.63161996"
                           z3="6.32459"
                           zFract="0.24725579"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.1757"
                           xFract="0.6338962"
                           y3="0.69014"
                           yFract="0.13349979"
                           z3="6.38182"
                           zFract="0.24960601"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66943"
                           xFract="0.63635577"
                           y3="3.26479"
                           yFract="0.63153678"
                           z3="6.5068"
                           zFract="0.24724842"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53342"
                           xFract="0.29234963"
                           y3="1.37597"
                           yFract="0.26616587"
                           z3="8.74949"
                           zFract="0.34957739"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02119"
                           xFract="0.28052958"
                           y3="4.08844"
                           yFract="0.79086257"
                           z3="8.82235"
                           zFract="0.34490297"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51586"
                           xFract="0.79261781"
                           y3="1.37577"
                           yFract="0.26612718"
                           z3="8.9312"
                           zFract="0.34954443"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00104"
                           xFract="0.77992588"
                           y3="4.09278"
                           yFract="0.7917021"
                           z3="9.0040"
                           zFract="0.34486746"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.94984"
                           xFract="0.43408037"
                           y3="2.37068"
                           yFract="0.45858129"
                           z3="10.16885"
                           zFract="0.40265157"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92876"
                           xFract="0.93344209"
                           y3="2.37376"
                           yFract="0.45917708"
                           z3="10.34859"
                           zFract="0.40254209"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19515"
                           xFract="0.13393347"
                           y3="0.69046"
                           yFract="0.13356169"
                           z3="6.20063"
                           zFract="0.24965534"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68888"
                           xFract="0.13635353"
                           y3="3.26552"
                           yFract="0.63167799"
                           z3="6.32571"
                           zFract="0.24730124"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17564"
                           xFract="0.63389674"
                           y3="0.69003"
                           yFract="0.13347852"
                           z3="6.38289"
                           zFract="0.24965009"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66921"
                           xFract="0.63629768"
                           y3="3.26501"
                           yFract="0.63157933"
                           z3="6.50778"
                           zFract="0.24728874"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53452"
                           xFract="0.29255533"
                           y3="1.37575"
                           yFract="0.26612331"
                           z3="8.75105"
                           zFract="0.34963877"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02101"
                           xFract="0.28041652"
                           y3="4.0893"
                           yFract="0.79102893"
                           z3="8.8228"
                           zFract="0.34492058"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51676"
                           xFract="0.79275142"
                           y3="1.37595"
                           yFract="0.266162"
                           z3="8.9327"
                           zFract="0.34960328"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00082"
                           xFract="0.7798302"
                           y3="4.09339"
                           yFract="0.7918201"
                           z3="9.00445"
                           zFract="0.34488553"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95056"
                           xFract="0.4341067"
                           y3="2.37166"
                           yFract="0.45877086"
                           z3="10.16942"
                           zFract="0.40267167"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92905"
                           xFract="0.93343099"
                           y3="2.37438"
                           yFract="0.45929701"
                           z3="10.34885"
                           zFract="0.4025511"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <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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                           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"/>
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                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19506"
                           xFract="0.13398293"
                           y3="0.68979"
                           yFract="0.13343209"
                           z3="6.20307"
                           zFract="0.24975634"/>
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                           id="a10"
                           x3="2.68883"
                           xFract="0.13628733"
                           y3="3.26612"
                           yFract="0.63179405"
                           z3="6.32796"
                           zFract="0.24739254"/>
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                           id="a11"
                           x3="4.17551"
                           xFract="0.63389806"
                           y3="0.68979"
                           yFract="0.13343209"
                           z3="6.38502"
                           zFract="0.24973789"/>
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                           id="a12"
                           x3="5.66879"
                           xFract="0.63618483"
                           y3="3.26545"
                           yFract="0.63166445"
                           z3="6.50974"
                           zFract="0.24736933"/>
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                           x3="2.53672"
                           xFract="0.29296866"
                           y3="1.37529"
                           yFract="0.26603433"
                           z3="8.75416"
                           zFract="0.34976115"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02067"
                           xFract="0.28019472"
                           y3="4.09101"
                           yFract="0.79135971"
                           z3="8.82372"
                           zFract="0.34495659"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51856"
                           xFract="0.79301769"
                           y3="1.37632"
                           yFract="0.26623357"
                           z3="8.93571"
                           zFract="0.34972137"/>
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                           id="a16"
                           x3="7.00038"
                           xFract="0.77963884"
                           y3="4.09461"
                           yFract="0.79205609"
                           z3="9.00535"
                           zFract="0.34492168"/>
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                           id="a17"
                           x3="3.95201"
                           xFract="0.43416202"
                           y3="2.37361"
                           yFract="0.45914806"
                           z3="10.17056"
                           zFract="0.40271185"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92964"
                           xFract="0.93340854"
                           y3="2.37564"
                           yFract="0.45954075"
                           z3="10.34936"
                           zFract="0.40256866"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19554"
                           xFract="0.13401815"
                           y3="0.69026"
                           yFract="0.13352301"
                           z3="6.20366"
                           zFract="0.2497786"/>
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                           id="a10"
                           x3="2.6881"
                           xFract="0.13618223"
                           y3="3.26594"
                           yFract="0.63175923"
                           z3="6.32884"
                           zFract="0.24743063"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17603"
                           xFract="0.6339053"
                           y3="0.69062"
                           yFract="0.13359264"
                           z3="6.3852"
                           zFract="0.24974275"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66884"
                           xFract="0.6361884"
                           y3="3.2655"
                           yFract="0.63167412"
                           z3="6.51058"
                           zFract="0.2474035"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53782"
                           xFract="0.29300574"
                           y3="1.37682"
                           yFract="0.26633029"
                           z3="8.75738"
                           zFract="0.3498879"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02157"
                           xFract="0.28010189"
                           y3="4.09354"
                           yFract="0.79184911"
                           z3="8.82475"
                           zFract="0.3449928"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51839"
                           xFract="0.7929805"
                           y3="1.37641"
                           yFract="0.26625098"
                           z3="8.93784"
                           zFract="0.34980879"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00212"
                           xFract="0.77982085"
                           y3="4.09575"
                           yFract="0.79227661"
                           z3="9.0059"
                           zFract="0.34493817"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95199"
                           xFract="0.43423093"
                           y3="2.37286"
                           yFract="0.45900299"
                           z3="10.17105"
                           zFract="0.40273303"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93066"
                           xFract="0.93356324"
                           y3="2.37581"
                           yFract="0.45957363"
                           z3="10.34966"
                           zFract="0.40257813"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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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"
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                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
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                           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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                           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="1.19559"
                           xFract="0.13402172"
                           y3="0.69031"
                           yFract="0.13353268"
                           z3="6.20372"
                           zFract="0.24978085"/>
                     <atom elementType="Ag"
                           id="a10"
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                           xFract="0.13617313"
                           y3="3.26593"
                           yFract="0.6317573"
                           z3="6.32892"
                           zFract="0.24743406"/>
                     <atom elementType="Ag"
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                           x3="4.17608"
                           xFract="0.63390694"
                           y3="0.69069"
                           yFract="0.13360619"
                           z3="6.38521"
                           zFract="0.24974294"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66885"
                           xFract="0.63618911"
                           y3="3.26551"
                           yFract="0.63167605"
                           z3="6.51066"
                           zFract="0.24740673"/>
                     <atom elementType="Ag"
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                           x3="2.53792"
                           xFract="0.29300902"
                           y3="1.37696"
                           yFract="0.26635737"
                           z3="8.75768"
                           zFract="0.34989972"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02165"
                           xFract="0.28009315"
                           y3="4.09377"
                           yFract="0.7918936"
                           z3="8.82484"
                           zFract="0.34499595"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51837"
                           xFract="0.79297618"
                           y3="1.37642"
                           yFract="0.26625291"
                           z3="8.93804"
                           zFract="0.34981701"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00228"
                           xFract="0.77983805"
                           y3="4.09585"
                           yFract="0.79229596"
                           z3="9.00595"
                           zFract="0.34493967"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95198"
                           xFract="0.434236"
                           y3="2.37279"
                           yFract="0.45898945"
                           z3="10.1711"
                           zFract="0.4027352"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93075"
                           xFract="0.93357738"
                           y3="2.37582"
                           yFract="0.45957556"
                           z3="10.34968"
                           zFract="0.40257871"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
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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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <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="1.19567"
                           xFract="0.13402743"
                           y3="0.69039"
                           yFract="0.13354815"
                           z3="6.20383"
                           zFract="0.24978504"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.6879"
                           xFract="0.1361535"
                           y3="3.26589"
                           yFract="0.63174956"
                           z3="6.32909"
                           zFract="0.24744143"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17618"
                           xFract="0.6339083"
                           y3="0.69085"
                           yFract="0.13363714"
                           z3="6.38525"
                           zFract="0.24974409"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66886"
                           xFract="0.63618983"
                           y3="3.26552"
                           yFract="0.63167799"
                           z3="6.51081"
                           zFract="0.24741283"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53812"
                           xFract="0.29301559"
                           y3="1.37724"
                           yFract="0.26641153"
                           z3="8.75827"
                           zFract="0.34992295"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02181"
                           xFract="0.2800747"
                           y3="4.09424"
                           yFract="0.79198452"
                           z3="8.82503"
                           zFract="0.34500264"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51834"
                           xFract="0.79297019"
                           y3="1.37643"
                           yFract="0.26625485"
                           z3="8.93843"
                           zFract="0.34983303"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0026"
                           xFract="0.77987149"
                           y3="4.09606"
                           yFract="0.79233658"
                           z3="9.00605"
                           zFract="0.34494266"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95198"
                           xFract="0.43424853"
                           y3="2.37266"
                           yFract="0.4589643"
                           z3="10.17119"
                           zFract="0.40273907"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93094"
                           xFract="0.93360539"
                           y3="2.37586"
                           yFract="0.4595833"
                           z3="10.34974"
                           zFract="0.40258063"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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>
                  </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="1.19585"
                           xFract="0.13404028"
                           y3="0.69057"
                           yFract="0.13358297"
                           z3="6.20404"
                           zFract="0.24979292"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68764"
                           xFract="0.13611568"
                           y3="3.26583"
                           yFract="0.63173795"
                           z3="6.32941"
                           zFract="0.24745525"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17637"
                           xFract="0.63391126"
                           y3="0.69115"
                           yFract="0.13369517"
                           z3="6.38532"
                           zFract="0.24974604"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66888"
                           xFract="0.63619125"
                           y3="3.26554"
                           yFract="0.63168186"
                           z3="6.51112"
                           zFract="0.24742543"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53852"
                           xFract="0.29302872"
                           y3="1.3778"
                           yFract="0.26651986"
                           z3="8.75945"
                           zFract="0.34996941"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02214"
                           xFract="0.28004044"
                           y3="4.09517"
                           yFract="0.79216442"
                           z3="8.82541"
                           zFract="0.34501601"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51827"
                           xFract="0.79295459"
                           y3="1.37647"
                           yFract="0.26626259"
                           z3="8.93922"
                           zFract="0.34986546"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00324"
                           xFract="0.77993836"
                           y3="4.09648"
                           yFract="0.79241782"
                           z3="9.00625"
                           zFract="0.34494863"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95197"
                           xFract="0.43427383"
                           y3="2.37238"
                           yFract="0.45891014"
                           z3="10.17137"
                           zFract="0.40274686"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93132"
                           xFract="0.93366335"
                           y3="2.37592"
                           yFract="0.45959491"
                           z3="10.34985"
                           zFract="0.40258409"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19689"
                           xFract="0.13406922"
                           y3="0.69208"
                           yFract="0.13387506"
                           z3="6.20437"
                           zFract="0.24980162"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68699"
                           xFract="0.13596136"
                           y3="3.2663"
                           yFract="0.63182887"
                           z3="6.32975"
                           zFract="0.24747011"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17752"
                           xFract="0.63390951"
                           y3="0.69317"
                           yFract="0.13408591"
                           z3="6.38518"
                           zFract="0.24973451"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66879"
                           xFract="0.63610485"
                           y3="3.26628"
                           yFract="0.631825"
                           z3="6.51178"
                           zFract="0.24745158"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53791"
                           xFract="0.29287823"
                           y3="1.3783"
                           yFract="0.26661658"
                           z3="8.76164"
                           zFract="0.35005979"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02498"
                           xFract="0.28039539"
                           y3="4.09643"
                           yFract="0.79240815"
                           z3="8.82707"
                           zFract="0.34507498"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51795"
                           xFract="0.7928855"
                           y3="1.37663"
                           yFract="0.26629354"
                           z3="8.94078"
                           zFract="0.34992984"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00567"
                           xFract="0.78034402"
                           y3="4.0965"
                           yFract="0.79242169"
                           z3="9.0069"
                           zFract="0.34496911"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9525"
                           xFract="0.43435116"
                           y3="2.3725"
                           yFract="0.45893335"
                           z3="10.17333"
                           zFract="0.40282554"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93164"
                           xFract="0.93366113"
                           y3="2.3765"
                           yFract="0.4597071"
                           z3="10.35206"
                           zFract="0.40267285"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19696"
                           xFract="0.13407229"
                           y3="0.69217"
                           yFract="0.13389247"
                           z3="6.20439"
                           zFract="0.24980214"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68695"
                           xFract="0.13595176"
                           y3="3.26633"
                           yFract="0.63183467"
                           z3="6.32978"
                           zFract="0.24747139"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17758"
                           xFract="0.63390801"
                           y3="0.69329"
                           yFract="0.13410913"
                           z3="6.38517"
                           zFract="0.24973378"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66879"
                           xFract="0.636101"
                           y3="3.26632"
                           yFract="0.63183274"
                           z3="6.51182"
                           zFract="0.24745316"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53787"
                           xFract="0.29286863"
                           y3="1.37833"
                           yFract="0.26662238"
                           z3="8.76177"
                           zFract="0.35006517"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02514"
                           xFract="0.28041451"
                           y3="4.09651"
                           yFract="0.79242362"
                           z3="8.82717"
                           zFract="0.34507856"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51794"
                           xFract="0.79288286"
                           y3="1.37664"
                           yFract="0.26629547"
                           z3="8.94087"
                           zFract="0.34993353"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00581"
                           xFract="0.78036654"
                           y3="4.09651"
                           yFract="0.79242362"
                           z3="9.00694"
                           zFract="0.34497038"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95253"
                           xFract="0.43435523"
                           y3="2.37251"
                           yFract="0.45893528"
                           z3="10.17344"
                           zFract="0.40282995"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93166"
                           xFract="0.93366064"
                           y3="2.37654"
                           yFract="0.45971484"
                           z3="10.35219"
                           zFract="0.40267806"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19708"
                           xFract="0.13407507"
                           y3="0.69235"
                           yFract="0.13392729"
                           z3="6.20443"
                           zFract="0.24980321"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68687"
                           xFract="0.13593256"
                           y3="3.26639"
                           yFract="0.63184628"
                           z3="6.32982"
                           zFract="0.24747314"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17772"
                           xFract="0.63390837"
                           y3="0.69353"
                           yFract="0.13415555"
                           z3="6.38515"
                           zFract="0.24973226"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66878"
                           xFract="0.63609065"
                           y3="3.26641"
                           yFract="0.63185015"
                           z3="6.5119"
                           zFract="0.24745633"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5378"
                           xFract="0.2928511"
                           y3="1.37839"
                           yFract="0.26663399"
                           z3="8.76204"
                           zFract="0.3500763"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02548"
                           xFract="0.28045709"
                           y3="4.09666"
                           yFract="0.79245264"
                           z3="8.82736"
                           zFract="0.34508526"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5179"
                           xFract="0.79287422"
                           y3="1.37666"
                           yFract="0.26629934"
                           z3="8.94106"
                           zFract="0.34994138"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0061"
                           xFract="0.78041519"
                           y3="4.09651"
                           yFract="0.79242362"
                           z3="9.00702"
                           zFract="0.34497292"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95259"
                           xFract="0.43436337"
                           y3="2.37253"
                           yFract="0.45893915"
                           z3="10.17367"
                           zFract="0.40283918"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.9317"
                           xFract="0.9336606"
                           y3="2.37661"
                           yFract="0.45972838"
                           z3="10.35245"
                           zFract="0.4026885"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19751"
                           xFract="0.13403446"
                           y3="0.69352"
                           yFract="0.13415362"
                           z3="6.20468"
                           zFract="0.24981067"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68722"
                           xFract="0.13588913"
                           y3="3.26745"
                           yFract="0.63205132"
                           z3="6.3299"
                           zFract="0.247474"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17821"
                           xFract="0.63386433"
                           y3="0.69484"
                           yFract="0.13440896"
                           z3="6.38521"
                           zFract="0.24973159"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66855"
                           xFract="0.63596246"
                           y3="3.26734"
                           yFract="0.63203005"
                           z3="6.51213"
                           zFract="0.24746496"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5377"
                           xFract="0.29290371"
                           y3="1.37767"
                           yFract="0.26649471"
                           z3="8.76251"
                           zFract="0.35009682"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02755"
                           xFract="0.28100375"
                           y3="4.09459"
                           yFract="0.79205222"
                           z3="8.8291"
                           zFract="0.34515425"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51814"
                           xFract="0.79284896"
                           y3="1.37734"
                           yFract="0.26643088"
                           z3="8.9420"
                           zFract="0.34997824"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00808"
                           xFract="0.78080511"
                           y3="4.09591"
                           yFract="0.79230756"
                           z3="9.0075"
                           zFract="0.34498847"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95362"
                           xFract="0.43439352"
                           y3="2.37401"
                           yFract="0.45922544"
                           z3="10.17486"
                           zFract="0.40288313"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93072"
                           xFract="0.93336807"
                           y3="2.37794"
                           yFract="0.45998565"
                           z3="10.35483"
                           zFract="0.40278638"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19753"
                           xFract="0.13403396"
                           y3="0.69356"
                           yFract="0.13416135"
                           z3="6.20469"
                           zFract="0.24981097"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68723"
                           xFract="0.13588695"
                           y3="3.26749"
                           yFract="0.63205906"
                           z3="6.3299"
                           zFract="0.24747392"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17823"
                           xFract="0.63386383"
                           y3="0.69488"
                           yFract="0.13441669"
                           z3="6.38521"
                           zFract="0.24973148"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66854"
                           xFract="0.63595693"
                           y3="3.26738"
                           yFract="0.63203778"
                           z3="6.51214"
                           zFract="0.24746534"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5377"
                           xFract="0.29290564"
                           y3="1.37765"
                           yFract="0.26649084"
                           z3="8.76252"
                           zFract="0.35009726"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02762"
                           xFract="0.28102224"
                           y3="4.09452"
                           yFract="0.79203868"
                           z3="8.82916"
                           zFract="0.34515664"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51815"
                           xFract="0.79284871"
                           y3="1.37736"
                           yFract="0.26643475"
                           z3="8.94203"
                           zFract="0.34997942"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00815"
                           xFract="0.78081878"
                           y3="4.09589"
                           yFract="0.79230369"
                           z3="9.00751"
                           zFract="0.34498874"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95366"
                           xFract="0.43439445"
                           y3="2.37407"
                           yFract="0.45923705"
                           z3="10.1749"
                           zFract="0.40288458"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93069"
                           xFract="0.93335918"
                           y3="2.37798"
                           yFract="0.45999339"
                           z3="10.35492"
                           zFract="0.40279008"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="1.19756"
                           xFract="0.13403128"
                           y3="0.69364"
                           yFract="0.13417683"
                           z3="6.2047"
                           zFract="0.24981119"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68726"
                           xFract="0.13588524"
                           y3="3.26756"
                           yFract="0.6320726"
                           z3="6.32991"
                           zFract="0.24747415"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17826"
                           xFract="0.63386019"
                           y3="0.69497"
                           yFract="0.1344341"
                           z3="6.38521"
                           zFract="0.24973128"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66853"
                           xFract="0.63594947"
                           y3="3.26744"
                           yFract="0.63204939"
                           z3="6.51215"
                           zFract="0.24746569"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53769"
                           xFract="0.29290878"
                           y3="1.3776"
                           yFract="0.26648117"
                           z3="8.76256"
                           zFract="0.35009899"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02777"
                           xFract="0.28106185"
                           y3="4.09437"
                           yFract="0.79200967"
                           z3="8.82928"
                           zFract="0.34516139"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51817"
                           xFract="0.79284724"
                           y3="1.37741"
                           yFract="0.26644442"
                           z3="8.9421"
                           zFract="0.34998216"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00829"
                           xFract="0.78084611"
                           y3="4.09585"
                           yFract="0.79229596"
                           z3="9.00755"
                           zFract="0.34499008"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95373"
                           xFract="0.43439656"
                           y3="2.37417"
                           yFract="0.45925639"
                           z3="10.17498"
                           zFract="0.40288754"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.93062"
                           xFract="0.9333378"
                           y3="2.37808"
                           yFract="0.46001274"
                           z3="10.35509"
                           zFract="0.40279706"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19766"
                           xFract="0.13402204"
                           y3="0.69391"
                           yFract="0.13422906"
                           z3="6.20523"
                           zFract="0.24983222"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68791"
                           xFract="0.13591814"
                           y3="3.26835"
                           yFract="0.63222542"
                           z3="6.32986"
                           zFract="0.24746934"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17832"
                           xFract="0.63384713"
                           y3="0.69521"
                           yFract="0.13448053"
                           z3="6.38578"
                           zFract="0.24975409"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6686"
                           xFract="0.63586582"
                           y3="3.26843"
                           yFract="0.63224089"
                           z3="6.51219"
                           zFract="0.24746571"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53779"
                           xFract="0.29293326"
                           y3="1.37752"
                           yFract="0.2664657"
                           z3="8.76283"
                           zFract="0.3501099"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0287"
                           xFract="0.28120724"
                           y3="4.09448"
                           yFract="0.79203094"
                           z3="8.82904"
                           zFract="0.34514908"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51924"
                           xFract="0.79303635"
                           y3="1.37731"
                           yFract="0.26642507"
                           z3="8.94264"
                           zFract="0.35000171"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00918"
                           xFract="0.78104454"
                           y3="4.09534"
                           yFract="0.7921973"
                           z3="9.00812"
                           zFract="0.34501191"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9541"
                           xFract="0.43441429"
                           y3="2.37463"
                           yFract="0.45934537"
                           z3="10.17566"
                           zFract="0.40291376"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92962"
                           xFract="0.93320669"
                           y3="2.3777"
                           yFract="0.45993923"
                           z3="10.35593"
                           zFract="0.40283448"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.19767"
                           xFract="0.13402276"
                           y3="0.69392"
                           yFract="0.13423099"
                           z3="6.20526"
                           zFract="0.24983341"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68795"
                           xFract="0.135921"
                           y3="3.26839"
                           yFract="0.63223316"
                           z3="6.32986"
                           zFract="0.24746918"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17832"
                           xFract="0.6338452"
                           y3="0.69523"
                           yFract="0.1344844"
                           z3="6.38581"
                           zFract="0.24975529"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66861"
                           xFract="0.63586171"
                           y3="3.26849"
                           yFract="0.6322525"
                           z3="6.51219"
                           zFract="0.2474656"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53779"
                           xFract="0.29293326"
                           y3="1.37752"
                           yFract="0.2664657"
                           z3="8.76284"
                           zFract="0.35011031"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02875"
                           xFract="0.28121563"
                           y3="4.09448"
                           yFract="0.79203094"
                           z3="8.82903"
                           zFract="0.34514855"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5193"
                           xFract="0.79304642"
                           y3="1.37731"
                           yFract="0.26642507"
                           z3="8.94267"
                           zFract="0.35000279"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00923"
                           xFract="0.78105581"
                           y3="4.09531"
                           yFract="0.7921915"
                           z3="9.00815"
                           zFract="0.34501305"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95412"
                           xFract="0.43441572"
                           y3="2.37465"
                           yFract="0.45934924"
                           z3="10.17569"
                           zFract="0.40291491"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92956"
                           xFract="0.93319855"
                           y3="2.37768"
                           yFract="0.45993536"
                           z3="10.35597"
                           zFract="0.4028363"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.19768"
                           xFract="0.13402154"
                           y3="0.69395"
                           yFract="0.1342368"
                           z3="6.20531"
                           zFract="0.24983539"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68802"
                           xFract="0.13592503"
                           y3="3.26847"
                           yFract="0.63224863"
                           z3="6.32986"
                           zFract="0.24746889"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17833"
                           xFract="0.63384495"
                           y3="0.69525"
                           yFract="0.13448827"
                           z3="6.38587"
                           zFract="0.24975769"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66861"
                           xFract="0.63585208"
                           y3="3.26859"
                           yFract="0.63227184"
                           z3="6.51219"
                           zFract="0.24746546"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5378"
                           xFract="0.2929359"
                           y3="1.37751"
                           yFract="0.26646376"
                           z3="8.76287"
                           zFract="0.35011153"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02885"
                           xFract="0.28123048"
                           y3="4.0945"
                           yFract="0.79203481"
                           z3="8.8290"
                           zFract="0.34514704"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51941"
                           xFract="0.79306583"
                           y3="1.3773"
                           yFract="0.26642314"
                           z3="8.94273"
                           zFract="0.35000499"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.00932"
                           xFract="0.78107573"
                           y3="4.09526"
                           yFract="0.79218183"
                           z3="9.00821"
                           zFract="0.34501535"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95416"
                           xFract="0.43441761"
                           y3="2.3747"
                           yFract="0.45935891"
                           z3="10.17577"
                           zFract="0.40291801"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92946"
                           xFract="0.93318563"
                           y3="2.37764"
                           yFract="0.45992762"
                           z3="10.35606"
                           zFract="0.40284029"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="1.1977"
                           xFract="0.13402008"
                           y3="0.6940"
                           yFract="0.13424647"
                           z3="6.20542"
                           zFract="0.24983977"/>
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                           id="a10"
                           x3="2.68816"
                           xFract="0.1359331"
                           y3="3.26863"
                           yFract="0.63227958"
                           z3="6.32985"
                           zFract="0.24746789"/>
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                           id="a11"
                           x3="4.17834"
                           xFract="0.63384181"
                           y3="0.6953"
                           yFract="0.13449794"
                           z3="6.38599"
                           zFract="0.2497625"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66863"
                           xFract="0.6358352"
                           y3="3.2688"
                           yFract="0.63231247"
                           z3="6.5122"
                           zFract="0.24746551"/>
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                           id="a13"
                           x3="2.53782"
                           xFract="0.29294118"
                           y3="1.37749"
                           yFract="0.26645989"
                           z3="8.76293"
                           zFract="0.35011396"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02904"
                           xFract="0.28126042"
                           y3="4.09452"
                           yFract="0.79203868"
                           z3="8.82895"
                           zFract="0.34514449"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.51964"
                           xFract="0.79310634"
                           y3="1.37728"
                           yFract="0.26641927"
                           z3="8.94284"
                           zFract="0.35000894"/>
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                           id="a16"
                           x3="7.00951"
                           xFract="0.7811182"
                           y3="4.09515"
                           yFract="0.79216055"
                           z3="9.00833"
                           zFract="0.34501995"/>
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                           id="a17"
                           x3="3.95424"
                           xFract="0.43442139"
                           y3="2.3748"
                           yFract="0.45937826"
                           z3="10.17591"
                           zFract="0.40292339"/>
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                           id="a18"
                           x3="6.92925"
                           xFract="0.93315812"
                           y3="2.37756"
                           yFract="0.45991215"
                           z3="10.35624"
                           zFract="0.40284829"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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>
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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"/>
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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="1.19786"
                           xFract="0.13400645"
                           y3="0.69442"
                           yFract="0.13432771"
                           z3="6.20597"
                           zFract="0.24986126"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68895"
                           xFract="0.13598081"
                           y3="3.26951"
                           yFract="0.63244981"
                           z3="6.33003"
                           zFract="0.24747201"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17835"
                           xFract="0.63383867"
                           y3="0.69535"
                           yFract="0.13450761"
                           z3="6.38674"
                           zFract="0.24979309"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.66927"
                           xFract="0.63585582"
                           y3="3.2697"
                           yFract="0.63248656"
                           z3="6.51222"
                           zFract="0.24746342"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53851"
                           xFract="0.29300488"
                           y3="1.37803"
                           yFract="0.26656435"
                           z3="8.76364"
                           zFract="0.3501405"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02954"
                           xFract="0.28134139"
                           y3="4.09455"
                           yFract="0.79204448"
                           z3="8.82844"
                           zFract="0.34512233"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52006"
                           xFract="0.79320184"
                           y3="1.37702"
                           yFract="0.26636898"
                           z3="8.94338"
                           zFract="0.35003035"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01049"
                           xFract="0.78128546"
                           y3="4.09512"
                           yFract="0.79215474"
                           z3="9.00908"
                           zFract="0.34504822"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95366"
                           xFract="0.43438289"
                           y3="2.37419"
                           yFract="0.45926026"
                           z3="10.17596"
                           zFract="0.40292777"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92879"
                           xFract="0.93313299"
                           y3="2.37702"
                           yFract="0.45980769"
                           z3="10.35677"
                           zFract="0.40287191"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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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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                           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="1.19787"
                           xFract="0.1340062"
                           y3="0.69444"
                           yFract="0.13433158"
                           z3="6.2060"
                           zFract="0.24986243"/>
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                           id="a10"
                           x3="2.6890"
                           xFract="0.13598438"
                           y3="3.26956"
                           yFract="0.63245948"
                           z3="6.33004"
                           zFract="0.24747222"/>
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                           id="a11"
                           x3="4.17835"
                           xFract="0.63383867"
                           y3="0.69535"
                           yFract="0.13450761"
                           z3="6.38678"
                           zFract="0.24979472"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6693"
                           xFract="0.635857"
                           y3="3.26974"
                           yFract="0.6324943"
                           z3="6.51222"
                           zFract="0.24746329"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53855"
                           xFract="0.29300966"
                           y3="1.37805"
                           yFract="0.26656822"
                           z3="8.76368"
                           zFract="0.350142"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02957"
                           xFract="0.28134546"
                           y3="4.09456"
                           yFract="0.79204642"
                           z3="8.82841"
                           zFract="0.34512102"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52008"
                           xFract="0.79320615"
                           y3="1.37701"
                           yFract="0.26636704"
                           z3="8.94341"
                           zFract="0.35003154"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01054"
                           xFract="0.78129385"
                           y3="4.09512"
                           yFract="0.79215474"
                           z3="9.00912"
                           zFract="0.34504973"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95363"
                           xFract="0.43438075"
                           y3="2.37416"
                           yFract="0.45925446"
                           z3="10.17596"
                           zFract="0.40292789"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92877"
                           xFract="0.93313253"
                           y3="2.37699"
                           yFract="0.45980189"
                           z3="10.3568"
                           zFract="0.40287323"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
                     <atom elementType="Ag"
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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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="1.19789"
                           xFract="0.1340057"
                           y3="0.69448"
                           yFract="0.13433932"
                           z3="6.20606"
                           zFract="0.24986478"/>
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                           id="a10"
                           x3="2.68908"
                           xFract="0.13598912"
                           y3="3.26965"
                           yFract="0.63247689"
                           z3="6.33006"
                           zFract="0.2474727"/>
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                           id="a11"
                           x3="4.17835"
                           xFract="0.63383771"
                           y3="0.69536"
                           yFract="0.13450954"
                           z3="6.38686"
                           zFract="0.24979798"/>
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                           id="a12"
                           x3="5.66937"
                           xFract="0.63585911"
                           y3="3.26984"
                           yFract="0.63251364"
                           z3="6.51222"
                           zFract="0.24746297"/>
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                           x3="2.53862"
                           xFract="0.29301562"
                           y3="1.37811"
                           yFract="0.26657983"
                           z3="8.76376"
                           zFract="0.35014502"/>
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                           id="a14"
                           x3="4.02962"
                           xFract="0.28135385"
                           y3="4.09456"
                           yFract="0.79204642"
                           z3="8.82835"
                           zFract="0.34511844"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52013"
                           xFract="0.79321743"
                           y3="1.37698"
                           yFract="0.26636124"
                           z3="8.94347"
                           zFract="0.35003392"/>
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                           id="a16"
                           x3="7.01065"
                           xFract="0.7813123"
                           y3="4.09512"
                           yFract="0.79215474"
                           z3="9.0092"
                           zFract="0.34505272"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95357"
                           xFract="0.43437646"
                           y3="2.3741"
                           yFract="0.45924285"
                           z3="10.17597"
                           zFract="0.40292854"/>
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                           id="a18"
                           x3="6.92872"
                           xFract="0.93312993"
                           y3="2.37693"
                           yFract="0.45979028"
                           z3="10.35686"
                           zFract="0.40287589"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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>
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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="1.19815"
                           xFract="0.13397222"
                           y3="0.69528"
                           yFract="0.13449407"
                           z3="6.20641"
                           zFract="0.24987728"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68987"
                           xFract="0.13605804"
                           y3="3.27031"
                           yFract="0.63260456"
                           z3="6.33027"
                           zFract="0.24747836"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17846"
                           xFract="0.63384941"
                           y3="0.69543"
                           yFract="0.13452308"
                           z3="6.3877"
                           zFract="0.24983197"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67042"
                           xFract="0.63598416"
                           y3="3.27037"
                           yFract="0.63261617"
                           z3="6.51223"
                           zFract="0.24745998"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5391"
                           xFract="0.29308072"
                           y3="1.37827"
                           yFract="0.26661078"
                           z3="8.7644"
                           zFract="0.35016976"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02981"
                           xFract="0.28142811"
                           y3="4.09412"
                           yFract="0.79196131"
                           z3="8.82817"
                           zFract="0.34511123"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52004"
                           xFract="0.79323991"
                           y3="1.37659"
                           yFract="0.2662858"
                           z3="8.94407"
                           zFract="0.35005925"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01104"
                           xFract="0.78135555"
                           y3="4.09535"
                           yFract="0.79219924"
                           z3="9.00972"
                           zFract="0.34507269"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95369"
                           xFract="0.43443321"
                           y3="2.37372"
                           yFract="0.45916934"
                           z3="10.17579"
                           zFract="0.40292142"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92906"
                           xFract="0.93312143"
                           y3="2.37761"
                           yFract="0.45992182"
                           z3="10.35701"
                           zFract="0.40288019"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.42">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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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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                           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"
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                           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"/>
                     <atom elementType="Ag"
                           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="1.19816"
                           xFract="0.13397101"
                           y3="0.69531"
                           yFract="0.13449987"
                           z3="6.20643"
                           zFract="0.24987803"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.68991"
                           xFract="0.13606185"
                           y3="3.27034"
                           yFract="0.63261036"
                           z3="6.33028"
                           zFract="0.24747863"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17847"
                           xFract="0.63385109"
                           y3="0.69543"
                           yFract="0.13452308"
                           z3="6.38774"
                           zFract="0.24983358"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67047"
                           xFract="0.63598965"
                           y3="3.2704"
                           yFract="0.63262197"
                           z3="6.51223"
                           zFract="0.24745981"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53913"
                           xFract="0.29308479"
                           y3="1.37828"
                           yFract="0.26661271"
                           z3="8.76443"
                           zFract="0.3501709"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.02982"
                           xFract="0.28143172"
                           y3="4.0941"
                           yFract="0.79195744"
                           z3="8.82817"
                           zFract="0.34511124"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52004"
                           xFract="0.79324184"
                           y3="1.37657"
                           yFract="0.26628193"
                           z3="8.9441"
                           zFract="0.35006051"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01106"
                           xFract="0.78135698"
                           y3="4.09537"
                           yFract="0.7922031"
                           z3="9.00975"
                           zFract="0.34507383"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95369"
                           xFract="0.43443514"
                           y3="2.3737"
                           yFract="0.45916547"
                           z3="10.17578"
                           zFract="0.40292104"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92908"
                           xFract="0.9331219"
                           y3="2.37764"
                           yFract="0.45992762"
                           z3="10.35701"
                           zFract="0.4028801"/>
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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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.43">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="1.19871"
                           xFract="0.13397461"
                           y3="0.69623"
                           yFract="0.13467784"
                           z3="6.20684"
                           zFract="0.24989209"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69044"
                           xFract="0.13609583"
                           y3="3.27091"
                           yFract="0.63272062"
                           z3="6.3304"
                           zFract="0.24748138"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.17889"
                           xFract="0.63388203"
                           y3="0.69584"
                           yFract="0.13460239"
                           z3="6.38855"
                           zFract="0.24986507"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67155"
                           xFract="0.63613997"
                           y3="3.27072"
                           yFract="0.63268387"
                           z3="6.51236"
                           zFract="0.24746196"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53871"
                           xFract="0.29305192"
                           y3="1.37789"
                           yFract="0.26653727"
                           z3="8.76453"
                           zFract="0.35017661"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03002"
                           xFract="0.28147297"
                           y3="4.09402"
                           yFract="0.79194196"
                           z3="8.82818"
                           zFract="0.34511126"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52025"
                           xFract="0.7932973"
                           y3="1.37636"
                           yFract="0.26624131"
                           z3="8.94485"
                           zFract="0.35009097"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01107"
                           xFract="0.7813336"
                           y3="4.09563"
                           yFract="0.7922534"
                           z3="9.00997"
                           zFract="0.34508243"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.95433"
                           xFract="0.43454345"
                           y3="2.37369"
                           yFract="0.45916354"
                           z3="10.17619"
                           zFract="0.40293623"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.92946"
                           xFract="0.93316443"
                           y3="2.37786"
                           yFract="0.45997018"
                           z3="10.35657"
                           zFract="0.40286083"/>
                  </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 a6" order="S"/>
                     <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="O2Ag16">
                     <atomArray count="2 16" elementType="O Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1757.8899999999994</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="18">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="18">-0.000 0.001 -0.000 0.001 -0.000 0.000 -0.000 0.000 0.000 -0.001 0.000 -0.001 0.006 0.003 0.006 0.003 -0.005 -0.005</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="18">0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.001 -0.000 -0.001 -0.000 0.002 0.003 0.002 0.003 -0.298 -0.298</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="18">0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.071 -0.013 -0.072 -0.013 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="18">0.000 0.001 0.000 0.001 -0.000 0.001 -0.000 0.001 -0.000 -0.001 -0.000 -0.001 -0.063 -0.007 -0.064 -0.007 -0.303 -0.303</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.010</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.587</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">-0.168</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">-0.745</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-26.52189617</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-26.53992396</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-26.52790543</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-6.7554</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3499473E-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="1.19871"
                        xFract="0.13397461"
                        y3="0.69623"
                        yFract="0.13467784"
                        z3="6.20684"
                        zFract="0.24989209"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.69044"
                        xFract="0.13609583"
                        y3="3.27091"
                        yFract="0.63272062"
                        z3="6.3304"
                        zFract="0.24748138"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.17889"
                        xFract="0.63388203"
                        y3="0.69584"
                        yFract="0.13460239"
                        z3="6.38855"
                        zFract="0.24986507"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.67155"
                        xFract="0.63613997"
                        y3="3.27072"
                        yFract="0.63268387"
                        z3="6.51236"
                        zFract="0.24746196"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.53871"
                        xFract="0.29305192"
                        y3="1.37789"
                        yFract="0.26653727"
                        z3="8.76453"
                        zFract="0.35017661"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.03002"
                        xFract="0.28147297"
                        y3="4.09402"
                        yFract="0.79194196"
                        z3="8.82818"
                        zFract="0.34511126"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.52025"
                        xFract="0.7932973"
                        y3="1.37636"
                        yFract="0.26624131"
                        z3="8.94485"
                        zFract="0.35009097"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.01107"
                        xFract="0.7813336"
                        y3="4.09563"
                        yFract="0.7922534"
                        z3="9.00997"
                        zFract="0.34508243"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.95433"
                        xFract="0.43454345"
                        y3="2.37369"
                        yFract="0.45916354"
                        z3="10.17619"
                        zFract="0.40293623"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.92946"
                        xFract="0.93316443"
                        y3="2.37786"
                        yFract="0.45997018"
                        z3="10.35657"
                        zFract="0.40286083"/>
               </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 a6" order="S"/>
                  <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="O2Ag16">
                  <atomArray count="2 16" elementType="O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1757.8899999999994</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
