<?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">2025-04-05T02:16:52.000</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="3.00145894"
                        xFract="0.3360455"
                        y3="1.73721947"
                        yFract="0.3360455"
                        z3="1.46751306"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="5.6815113"
                        xFract="0.63604205"
                        y3="3.2890761"
                        yFract="0.63623465"
                        z3="6.58435471"
                        zFract="0.2503555"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="8.80706654"
                        xFract="0.9860455"
                        y3="5.09745687"
                        yFract="0.9860455"
                        z3="4.38641876"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46731094"
                        xFract="0.8360455"
                        y3="4.32201747"
                        yFract="0.8360455"
                        z3="1.83237706"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="5.5567069"
                        xFract="0.78834371"
                        y3="1.49123014"
                        yFract="0.28846164"
                        z3="8.93136193"
                        zFract="0.3492815"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.20264207"
                        xFract="0.63672274"
                        y3="0.70770482"
                        yFract="0.13689751"
                        z3="6.30547422"
                        zFract="0.24639005"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217054"
                        xFract="0.9860455"
                        y3="2.51265887"
                        yFract="0.4860455"
                        z3="4.20398676"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="7.021931"
                        xFract="0.78738347"
                        y3="4.05175017"
                        yFract="0.78376534"
                        z3="9.11056644"
                        zFract="0.3492339"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="5.98241494"
                        xFract="0.8360455"
                        y3="1.73721947"
                        yFract="0.3360455"
                        z3="1.64994506"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.69998446"
                        xFract="0.13593873"
                        y3="3.28915468"
                        yFract="0.63624985"
                        z3="6.4026672"
                        zFract="0.25038727"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="5.82611054"
                        xFract="0.4860455"
                        y3="5.09745687"
                        yFract="0.9860455"
                        z3="4.20398676"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="4.48635494"
                        xFract="0.3360455"
                        y3="4.32201747"
                        yFract="0.8360455"
                        z3="1.64994506"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.54402301"
                        xFract="0.28306372"
                        y3="1.49079662"
                        yFract="0.28837778"
                        z3="8.74790546"
                        zFract="0.34931965"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.21628544"
                        xFract="0.13612396"
                        y3="0.70451797"
                        yFract="0.13628105"
                        z3="6.22029754"
                        zFract="0.25038659"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="4.34121454"
                        xFract="0.4860455"
                        y3="2.51265887"
                        yFract="0.4860455"
                        z3="4.02155476"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="4.0222116"
                        xFract="0.28394347"
                        y3="4.05478875"
                        yFract="0.78435312"
                        z3="9.25821589"
                        zFract="0.36277904"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.40893909"
                        xFract="0.93608454"
                        y3="4.92292361"
                        yFract="0.95228401"
                        z3="10.1595841"
                        zFract="0.3874112"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.99270196"
                        xFract="0.45232534"
                        y3="2.25594356"
                        yFract="0.43638682"
                        z3="9.79599931"
                        zFract="0.3874584"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.52176819"
                        xFract="0.45166456"
                        y3="4.92448746"
                        yFract="0.95258652"
                        z3="9.98434414"
                        zFract="0.38746835"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a12" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H3Ag16">
                  <atomArray count="3 16" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1725.8911999999996</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="3.00145894"
                        xFract="0.3360455"
                        y3="1.73721947"
                        yFract="0.3360455"
                        z3="1.46751306"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="5.6815113"
                        xFract="0.63604205"
                        y3="3.28907609"
                        yFract="0.63623465"
                        z3="6.58435461"
                        zFract="0.2503555"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="8.80706654"
                        xFract="0.9860455"
                        y3="5.09745687"
                        yFract="0.9860455"
                        z3="4.38641876"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46731094"
                        xFract="0.8360455"
                        y3="4.32201747"
                        yFract="0.8360455"
                        z3="1.83237706"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="5.5567069"
                        xFract="0.78834371"
                        y3="1.49123017"
                        yFract="0.28846164"
                        z3="8.93136184"
                        zFract="0.3492815"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.2026421"
                        xFract="0.63672274"
                        y3="0.70770484"
                        yFract="0.13689751"
                        z3="6.30547415"
                        zFract="0.24639005"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217054"
                        xFract="0.9860455"
                        y3="2.51265887"
                        yFract="0.4860455"
                        z3="4.20398676"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="7.021931"
                        xFract="0.78738347"
                        y3="4.05175017"
                        yFract="0.78376534"
                        z3="9.11056644"
                        zFract="0.3492339"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="5.98241494"
                        xFract="0.8360455"
                        y3="1.73721947"
                        yFract="0.3360455"
                        z3="1.64994506"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.69998448"
                        xFract="0.13593874"
                        y3="3.28915467"
                        yFract="0.63624985"
                        z3="6.40266715"
                        zFract="0.25038727"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="5.82611054"
                        xFract="0.4860455"
                        y3="5.09745687"
                        yFract="0.9860455"
                        z3="4.20398676"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="4.48635494"
                        xFract="0.3360455"
                        y3="4.32201747"
                        yFract="0.8360455"
                        z3="1.64994506"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.54402302"
                        xFract="0.28306372"
                        y3="1.4907966"
                        yFract="0.28837778"
                        z3="8.74790549"
                        zFract="0.34931965"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.21628545"
                        xFract="0.13612396"
                        y3="0.70451797"
                        yFract="0.13628105"
                        z3="6.22029767"
                        zFract="0.25038659"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="4.34121454"
                        xFract="0.4860455"
                        y3="2.51265887"
                        yFract="0.4860455"
                        z3="4.02155476"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="4.02221161"
                        xFract="0.28394347"
                        y3="4.05478875"
                        yFract="0.78435312"
                        z3="9.25821594"
                        zFract="0.36277904"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.40893911"
                        xFract="0.93608454"
                        y3="4.92292362"
                        yFract="0.95228401"
                        z3="10.1595842"
                        zFract="0.3874112"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.99270199"
                        xFract="0.45232534"
                        y3="2.25594357"
                        yFract="0.43638682"
                        z3="9.79599924"
                        zFract="0.3874584"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.52176821"
                        xFract="0.45166456"
                        y3="4.92448747"
                        yFract="0.95258652"
                        z3="9.9843441"
                        zFract="0.38746835"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a12" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H3Ag16">
                  <atomArray count="3 16" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1725.8911999999996</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">179.0000</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 H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="2">Ag H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">107.868 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">16 3</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
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                           y3="4.92292"
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                           z3="9.7960"
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                           y3="4.92449"
                           yFract="0.95258701"
                           z3="9.98434"
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                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
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                     <bond atomRefs2="a7 a15" order="S"/>
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                     <bond atomRefs2="a8 a16" order="S"/>
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                  </formula>
                  <property dictRef="cml:molmass">
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                  </property>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.63604891"
                           y3="3.28902"
                           yFract="0.6362238"
                           z3="6.58435"
                           zFract="0.25035537"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           xFract="0.78835763"
                           y3="1.4913"
                           yFract="0.28847515"
                           z3="8.93088"
                           zFract="0.34926138"/>
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                           xFract="0.6367281"
                           y3="0.70775"
                           yFract="0.13690625"
                           z3="6.30543"
                           zFract="0.24638803"/>
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                           id="a7"
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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="7.02191"
                           xFract="0.78739442"
                           y3="4.0516"
                           yFract="0.78373629"
                           z3="9.11009"
                           zFract="0.34921468"/>
                     <atom elementType="Ag"
                           id="a9"
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                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           id="a10"
                           x3="2.69995"
                           xFract="0.13593533"
                           y3="3.28913"
                           yFract="0.63624508"
                           z3="6.40263"
                           zFract="0.25038587"/>
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                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           xFract="0.28303555"
                           y3="1.49084"
                           yFract="0.28838617"
                           z3="8.74741"
                           zFract="0.34929968"/>
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                           y3="0.70453"
                           yFract="0.13628338"
                           z3="6.22028"
                           zFract="0.25038589"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           x3="4.02224"
                           xFract="0.28394811"
                           y3="4.05479"
                           yFract="0.78435336"
                           z3="9.25774"
                           zFract="0.3627595"/>
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                           id="a17"
                           x3="8.40891"
                           xFract="0.93608097"
                           y3="4.92291"
                           yFract="0.95228138"
                           z3="10.15976"
                           zFract="0.38741849"/>
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                           x3="3.99268"
                           xFract="0.45232104"
                           y3="2.25595"
                           yFract="0.43638807"
                           z3="9.79617"
                           zFract="0.38746543"/>
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                           x3="5.52173"
                           xFract="0.4516608"
                           y3="4.92446"
                           yFract="0.95258121"
                           z3="9.98454"
                           zFract="0.3874765"/>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
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                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
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                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.68154"
                           xFract="0.63606672"
                           y3="3.28887"
                           yFract="0.63619478"
                           z3="6.58433"
                           zFract="0.25035472"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           id="a5"
                           x3="5.55718"
                           xFract="0.7883961"
                           y3="1.49151"
                           yFract="0.28851578"
                           z3="8.92942"
                           zFract="0.34920047"/>
                     <atom elementType="Ag"
                           id="a6"
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                           xFract="0.63674241"
                           y3="0.70788"
                           yFract="0.1369314"
                           z3="6.30529"
                           zFract="0.24638171"/>
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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="7.02184"
                           xFract="0.78742411"
                           y3="4.05117"
                           yFract="0.78365311"
                           z3="9.10866"
                           zFract="0.34915698"/>
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                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           id="a10"
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                           xFract="0.1359253"
                           y3="3.28906"
                           yFract="0.63623154"
                           z3="6.40253"
                           zFract="0.25038213"/>
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                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54345"
                           xFract="0.28294994"
                           y3="1.49098"
                           yFract="0.28841325"
                           z3="8.74592"
                           zFract="0.3492396"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21621"
                           xFract="0.13610533"
                           y3="0.70458"
                           yFract="0.13629305"
                           z3="6.22022"
                           zFract="0.25038352"/>
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                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02232"
                           xFract="0.28396153"
                           y3="4.05479"
                           yFract="0.78435336"
                           z3="9.2563"
                           zFract="0.36270039"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.40882"
                           xFract="0.9360678"
                           y3="4.92289"
                           yFract="0.95227751"
                           z3="10.1603"
                           zFract="0.38744083"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99262"
                           xFract="0.45230808"
                           y3="2.25598"
                           yFract="0.43639387"
                           z3="9.7967"
                           zFract="0.38748722"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.5216"
                           xFract="0.45164767"
                           y3="4.92437"
                           yFract="0.9525638"
                           z3="9.98511"
                           zFract="0.38750027"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
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                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
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                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
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                     <bond atomRefs2="a13 a16" order="S"/>
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                     <bond atomRefs2="a16 a18" order="S"/>
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                     <scalar units="unit:dalton">1725.8911999999996</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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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           xFract="0.6361033"
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                           yFract="0.63613482"
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                           yFract="0.83604599"
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                           yFract="0.28859702"
                           z3="8.9265"
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                           yFract="0.48604572"
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                           xFract="0.78748446"
                           y3="4.0503"
                           yFract="0.78348482"
                           z3="9.10579"
                           zFract="0.34904119"/>
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                           xFract="0.83604462"
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                           yFract="0.3360456"
                           z3="1.64995"
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                           yFract="0.63620252"
                           z3="6.40234"
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                           xFract="0.48604511"
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                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a12"
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                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           x3="2.54259"
                           xFract="0.28277967"
                           y3="1.49125"
                           yFract="0.28846548"
                           z3="8.74295"
                           zFract="0.34911987"/>
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                           y3="0.70466"
                           yFract="0.13630852"
                           z3="6.22011"
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                           xFract="0.48604463"
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                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a16"
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                           xFract="0.2839874"
                           y3="4.0548"
                           yFract="0.7843553"
                           z3="9.25343"
                           zFract="0.36258258"/>
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                           x3="8.40865"
                           xFract="0.93604507"
                           y3="4.92283"
                           yFract="0.9522659"
                           z3="10.16138"
                           zFract="0.38748552"/>
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                           xFract="0.45228121"
                           y3="2.25605"
                           yFract="0.43640741"
                           z3="9.79774"
                           zFract="0.38752996"/>
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                           x3="5.52135"
                           xFract="0.45162404"
                           y3="4.92418"
                           yFract="0.95252704"
                           z3="9.98625"
                           zFract="0.3875478"/>
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                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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="5.68166"
                           xFract="0.63617646"
                           y3="3.28794"
                           yFract="0.63601488"
                           z3="6.58424"
                           zFract="0.25035208"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.55933"
                           xFract="0.78863531"
                           y3="1.49277"
                           yFract="0.28875951"
                           z3="8.92066"
                           zFract="0.34883492"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20384"
                           xFract="0.6368297"
                           y3="0.70868"
                           yFract="0.13708615"
                           z3="6.30448"
                           zFract="0.24634497"/>
                     <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="7.02143"
                           xFract="0.78760683"
                           y3="4.04856"
                           yFract="0.78314824"
                           z3="9.10007"
                           zFract="0.3488104"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69926"
                           xFract="0.13586874"
                           y3="3.28862"
                           yFract="0.63614642"
                           z3="6.40194"
                           zFract="0.25036011"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           id="a13"
                           x3="2.54087"
                           xFract="0.28243818"
                           y3="1.4918"
                           yFract="0.28857187"
                           z3="8.7370"
                           zFract="0.34887998"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21589"
                           xFract="0.1360266"
                           y3="0.70484"
                           yFract="0.13634334"
                           z3="6.21989"
                           zFract="0.25037044"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02281"
                           xFract="0.28404179"
                           y3="4.05481"
                           yFract="0.78435723"
                           z3="9.24769"
                           zFract="0.36234693"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.40831"
                           xFract="0.93599864"
                           y3="4.92272"
                           yFract="0.95224462"
                           z3="10.16353"
                           zFract="0.38757448"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99227"
                           xFract="0.45223107"
                           y3="2.25617"
                           yFract="0.43643062"
                           z3="9.79984"
                           zFract="0.38761626"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.52085"
                           xFract="0.45157583"
                           y3="4.92381"
                           yFract="0.95245547"
                           z3="9.98855"
                           zFract="0.38764368"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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="5.68164"
                           xFract="0.63615287"
                           y3="3.28815"
                           yFract="0.63605551"
                           z3="6.58426"
                           zFract="0.25035265"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.55885"
                           xFract="0.78858178"
                           y3="1.49249"
                           yFract="0.28870535"
                           z3="8.9226"
                           zFract="0.34891589"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20363"
                           xFract="0.63681182"
                           y3="0.7085"
                           yFract="0.13705133"
                           z3="6.30466"
                           zFract="0.24635312"/>
                     <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="7.02152"
                           xFract="0.787567"
                           y3="4.04913"
                           yFract="0.7832585"
                           z3="9.10197"
                           zFract="0.34888707"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69939"
                           xFract="0.1358809"
                           y3="3.28872"
                           yFract="0.63616577"
                           z3="6.40207"
                           zFract="0.25036496"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54144"
                           xFract="0.28255113"
                           y3="1.49162"
                           yFract="0.28853705"
                           z3="8.73898"
                           zFract="0.34895981"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21596"
                           xFract="0.13604412"
                           y3="0.70478"
                           yFract="0.13633174"
                           z3="6.21997"
                           zFract="0.25037363"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.0227"
                           xFract="0.28402431"
                           y3="4.0548"
                           yFract="0.7843553"
                           z3="9.2496"
                           zFract="0.36242535"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.40842"
                           xFract="0.9360142"
                           y3="4.92275"
                           yFract="0.95225043"
                           z3="10.16282"
                           zFract="0.38754512"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99234"
                           xFract="0.45224666"
                           y3="2.25613"
                           yFract="0.43642288"
                           z3="9.79914"
                           zFract="0.38758751"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.52102"
                           xFract="0.45159182"
                           y3="4.92394"
                           yFract="0.95248062"
                           z3="9.98778"
                           zFract="0.38761157"/>
                  </atomArray>
                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="5.68144"
                           xFract="0.63610584"
                           y3="3.28829"
                           yFract="0.63608259"
                           z3="6.58341"
                           zFract="0.25031817"/>
                     <atom elementType="Ag"
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                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           xFract="0.78847921"
                           y3="1.49204"
                           yFract="0.2886183"
                           z3="8.92158"
                           zFract="0.34887699"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.2035"
                           xFract="0.63680833"
                           y3="0.70831"
                           yFract="0.13701458"
                           z3="6.3043"
                           zFract="0.24633899"/>
                     <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="7.02165"
                           xFract="0.78750498"
                           y3="4.0500"
                           yFract="0.78342679"
                           z3="9.10107"
                           zFract="0.34884867"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69943"
                           xFract="0.13587509"
                           y3="3.28885"
                           yFract="0.63619091"
                           z3="6.4012"
                           zFract="0.25032908"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54234"
                           xFract="0.28275123"
                           y3="1.49111"
                           yFract="0.2884384"
                           z3="8.73766"
                           zFract="0.3489043"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21601"
                           xFract="0.13607371"
                           y3="0.70456"
                           yFract="0.13628918"
                           z3="6.21913"
                           zFract="0.25033946"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02253"
                           xFract="0.28400446"
                           y3="4.05471"
                           yFract="0.78433789"
                           z3="9.2476"
                           zFract="0.3623441"/>
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                           id="a17"
                           x3="8.40836"
                           xFract="0.93601185"
                           y3="4.92267"
                           yFract="0.95223495"
                           z3="10.16264"
                           zFract="0.38753802"/>
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                           id="a18"
                           x3="3.99223"
                           xFract="0.45222243"
                           y3="2.25619"
                           yFract="0.43643449"
                           z3="9.79895"
                           zFract="0.38757993"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.52083"
                           xFract="0.45157248"
                           y3="4.92381"
                           yFract="0.95245547"
                           z3="9.98776"
                           zFract="0.38761141"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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>
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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="5.68084"
                           xFract="0.63596473"
                           y3="3.28871"
                           yFract="0.63616383"
                           z3="6.58085"
                           zFract="0.25021434"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.55537"
                           xFract="0.78817344"
                           y3="1.49067"
                           yFract="0.28835329"
                           z3="8.91854"
                           zFract="0.34876115"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20312"
                           xFract="0.63679855"
                           y3="0.70775"
                           yFract="0.13690625"
                           z3="6.30321"
                           zFract="0.24629617"/>
                     <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="7.02205"
                           xFract="0.78731962"
                           y3="4.05262"
                           yFract="0.7839336"
                           z3="9.09839"
                           zFract="0.34873424"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69957"
                           xFract="0.13586099"
                           y3="3.28924"
                           yFract="0.63626635"
                           z3="6.39857"
                           zFract="0.25022058"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54503"
                           xFract="0.28335082"
                           y3="1.48957"
                           yFract="0.2881405"
                           z3="8.7337"
                           zFract="0.34873781"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21615"
                           xFract="0.13615982"
                           y3="0.70391"
                           yFract="0.13616344"
                           z3="6.21661"
                           zFract="0.25023696"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02202"
                           xFract="0.28394783"
                           y3="4.05441"
                           yFract="0.78427985"
                           z3="9.24161"
                           zFract="0.36210077"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.40818"
                           xFract="0.93600671"
                           y3="4.92241"
                           yFract="0.95218466"
                           z3="10.16209"
                           zFract="0.38751635"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99187"
                           xFract="0.45214374"
                           y3="2.25638"
                           yFract="0.43647124"
                           z3="9.79836"
                           zFract="0.38755642"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.52025"
                           xFract="0.45151181"
                           y3="4.92343"
                           yFract="0.95238197"
                           z3="9.98768"
                           zFract="0.38761014"/>
                  </atomArray>
                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           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="5.67963"
                           xFract="0.6356818"
                           y3="3.28954"
                           yFract="0.63632439"
                           z3="6.57574"
                           zFract="0.25000714"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.55015"
                           xFract="0.78756094"
                           y3="1.48794"
                           yFract="0.2878252"
                           z3="8.91245"
                           zFract="0.34852906"/>
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                           id="a6"
                           x3="4.20237"
                           xFract="0.6367826"
                           y3="0.70661"
                           yFract="0.13668573"
                           z3="6.30104"
                           zFract="0.24621093"/>
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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="7.02285"
                           xFract="0.78694985"
                           y3="4.05785"
                           yFract="0.78494528"
                           z3="9.09303"
                           zFract="0.3485054"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69984"
                           xFract="0.13583208"
                           y3="3.29001"
                           yFract="0.6364153"
                           z3="6.39332"
                           zFract="0.25000403"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55041"
                           xFract="0.28454999"
                           y3="1.48649"
                           yFract="0.28754471"
                           z3="8.72579"
                           zFract="0.34840523"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21644"
                           xFract="0.13633373"
                           y3="0.70261"
                           yFract="0.13591197"
                           z3="6.21157"
                           zFract="0.25003195"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02099"
                           xFract="0.28383288"
                           y3="4.05381"
                           yFract="0.78416379"
                           z3="9.22964"
                           zFract="0.36161457"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.40781"
                           xFract="0.93599475"
                           y3="4.92189"
                           yFract="0.95208407"
                           z3="10.16099"
                           zFract="0.38747304"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99116"
                           xFract="0.45198804"
                           y3="2.25676"
                           yFract="0.43654475"
                           z3="9.79718"
                           zFract="0.38750938"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51909"
                           xFract="0.45139047"
                           y3="4.92267"
                           yFract="0.95223495"
                           z3="9.98751"
                           zFract="0.38760719"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               </molecule>
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                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="5.68043"
                           xFract="0.63586898"
                           y3="3.28899"
                           yFract="0.63621799"
                           z3="6.57911"
                           zFract="0.25014379"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.55359"
                           xFract="0.78796449"
                           y3="1.48974"
                           yFract="0.28817339"
                           z3="8.91647"
                           zFract="0.34868228"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20287"
                           xFract="0.6367942"
                           y3="0.70736"
                           yFract="0.13683081"
                           z3="6.30248"
                           zFract="0.2462675"/>
                     <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="7.02232"
                           xFract="0.78719339"
                           y3="4.0544"
                           yFract="0.78427792"
                           z3="9.09657"
                           zFract="0.34865654"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69966"
                           xFract="0.13585103"
                           y3="3.2895"
                           yFract="0.63631665"
                           z3="6.39678"
                           zFract="0.25014676"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           x3="2.54686"
                           xFract="0.28375894"
                           y3="1.48852"
                           yFract="0.28793739"
                           z3="8.73101"
                           zFract="0.34862471"/>
                     <atom elementType="Ag"
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                           x3="1.21625"
                           xFract="0.13621899"
                           y3="0.70347"
                           yFract="0.13607833"
                           z3="6.21489"
                           zFract="0.25016699"/>
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                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a16"
                           x3="4.02167"
                           xFract="0.28390839"
                           y3="4.05421"
                           yFract="0.78424117"
                           z3="9.23754"
                           zFract="0.36193545"/>
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                           id="a17"
                           x3="8.40805"
                           xFract="0.93600225"
                           y3="4.92223"
                           yFract="0.95214984"
                           z3="10.16171"
                           zFract="0.38750139"/>
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                           id="a18"
                           x3="3.99163"
                           xFract="0.45209096"
                           y3="2.25651"
                           yFract="0.43649639"
                           z3="9.79796"
                           zFract="0.38754047"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51985"
                           xFract="0.45146977"
                           y3="4.92317"
                           yFract="0.95233167"
                           z3="9.98762"
                           zFract="0.38760907"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
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                     <bond atomRefs2="a13 a18" order="S"/>
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                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.6802"
                           xFract="0.63585353"
                           y3="3.28875"
                           yFract="0.63617157"
                           z3="6.5775"
                           zFract="0.25007885"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.55293"
                           xFract="0.78788077"
                           y3="1.48946"
                           yFract="0.28811923"
                           z3="8.9161"
                           zFract="0.3486692"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.20266"
                           xFract="0.63677921"
                           y3="0.70715"
                           yFract="0.13679019"
                           z3="6.30039"
                           zFract="0.24618283"/>
                     <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="7.02192"
                           xFract="0.78715617"
                           y3="4.05409"
                           yFract="0.78421795"
                           z3="9.09587"
                           zFract="0.34862935"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69903"
                           xFract="0.13577042"
                           y3="3.28924"
                           yFract="0.63626635"
                           z3="6.3952"
                           zFract="0.25008408"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54673"
                           xFract="0.28374677"
                           y3="1.48842"
                           yFract="0.28791805"
                           z3="8.73048"
                           zFract="0.3486035"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21594"
                           xFract="0.13616507"
                           y3="0.70349"
                           yFract="0.1360822"
                           z3="6.21333"
                           zFract="0.25010392"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02247"
                           xFract="0.28398284"
                           y3="4.05483"
                           yFract="0.7843611"
                           z3="9.23411"
                           zFract="0.36179224"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.40869"
                           xFract="0.93615392"
                           y3="4.92177"
                           yFract="0.95206086"
                           z3="10.16015"
                           zFract="0.38743664"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99141"
                           xFract="0.45199335"
                           y3="2.25714"
                           yFract="0.43661826"
                           z3="9.79621"
                           zFract="0.38746852"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51884"
                           xFract="0.45136203"
                           y3="4.92253"
                           yFract="0.95220787"
                           z3="9.98573"
                           zFract="0.38753521"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               <molecule id="calculation.position.13">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67951"
                           xFract="0.63580909"
                           y3="3.28801"
                           yFract="0.63602842"
                           z3="6.57266"
                           zFract="0.24988366"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
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                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           xFract="0.7876296"
                           y3="1.48862"
                           yFract="0.28795674"
                           z3="8.91501"
                           zFract="0.34863079"/>
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                           xFract="0.63673927"
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                           yFract="0.13666832"
                           z3="6.29412"
                           zFract="0.24592876"/>
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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="7.0207"
                           xFract="0.78704018"
                           y3="4.05317"
                           yFract="0.78403999"
                           z3="9.09377"
                           zFract="0.34854784"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           id="a10"
                           x3="2.69716"
                           xFract="0.13553384"
                           y3="3.28844"
                           yFract="0.6361116"
                           z3="6.39046"
                           zFract="0.24989602"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54632"
                           xFract="0.28370594"
                           y3="1.48813"
                           yFract="0.28786195"
                           z3="8.72889"
                           zFract="0.3485399"/>
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                           id="a14"
                           x3="1.21501"
                           xFract="0.13600234"
                           y3="0.70356"
                           yFract="0.13609574"
                           z3="6.20863"
                           zFract="0.24991389"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02487"
                           xFract="0.28420617"
                           y3="4.05669"
                           yFract="0.7847209"
                           z3="9.22383"
                           zFract="0.36136301"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41059"
                           xFract="0.93660558"
                           y3="4.92039"
                           yFract="0.95179391"
                           z3="10.15544"
                           zFract="0.38724122"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.99076"
                           xFract="0.45170125"
                           y3="2.25904"
                           yFract="0.43698579"
                           z3="9.79098"
                           zFract="0.38725345"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.5158"
                           xFract="0.45103713"
                           y3="4.92061"
                           yFract="0.95183647"
                           z3="9.98008"
                           zFract="0.38731448"/>
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                     <bond atomRefs2="a1 a9" order="S"/>
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                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
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                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
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                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
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                     <bond atomRefs2="a10 a15" order="S"/>
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                     <bond atomRefs2="a11 a12" order="S"/>
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                     <bond atomRefs2="a12 a15" order="S"/>
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                     <bond atomRefs2="a16 a19" order="S"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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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                           xFract="0.33604563"
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                           xFract="0.63584917"
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                           xFract="0.98604578"
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                           zFract="0.15000004"/>
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                           zFract="0.05000012"/>
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                           yFract="0.28804959"
                           z3="8.91375"
                           zFract="0.348577"/>
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                           xFract="0.63658104"
                           y3="0.70623"
                           yFract="0.13661222"
                           z3="6.29354"
                           zFract="0.24590823"/>
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                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           x3="7.02114"
                           xFract="0.78734042"
                           y3="4.05082"
                           yFract="0.78358541"
                           z3="9.09257"
                           zFract="0.34850105"/>
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                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           xFract="0.13543014"
                           y3="3.28788"
                           yFract="0.63600328"
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                           zFract="0.24988814"/>
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                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
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                           zFract="0.15000013"/>
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                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
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                           xFract="0.13580356"
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                           yFract="0.13614797"
                           z3="6.20818"
                           zFract="0.24989767"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.28405914"
                           y3="4.05557"
                           yFract="0.78450424"
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                           zFract="0.36118027"/>
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                           x3="8.41171"
                           xFract="0.93691003"
                           y3="4.91918"
                           yFract="0.95155985"
                           z3="10.15174"
                           zFract="0.38708881"/>
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                           x3="3.99019"
                           xFract="0.45144954"
                           y3="2.26066"
                           yFract="0.43729916"
                           z3="9.78724"
                           zFract="0.38709954"/>
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                           id="a19"
                           x3="5.51557"
                           xFract="0.4510236"
                           y3="4.92035"
                           yFract="0.95178617"
                           z3="9.97691"
                           zFract="0.38718576"/>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
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                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
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                     <bond atomRefs2="a13 a14" order="S"/>
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                     <bond atomRefs2="a16 a19" order="S"/>
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                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               <molecule id="calculation.position.15">
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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>
                  </crystal>
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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="5.67933"
                           xFract="0.63588682"
                           y3="3.28689"
                           yFract="0.63581177"
                           z3="6.57203"
                           zFract="0.24985996"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           y3="1.48952"
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                           z3="8.91264"
                           zFract="0.34852958"/>
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                           xFract="0.63644003"
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                           yFract="0.13656193"
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                           zFract="0.24588982"/>
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                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.02154"
                           xFract="0.7876089"
                           y3="4.04873"
                           yFract="0.78318112"
                           z3="9.0915"
                           zFract="0.34845931"/>
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                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           id="a10"
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                           xFract="0.13533813"
                           y3="3.28739"
                           yFract="0.63590849"
                           z3="6.38996"
                           zFract="0.24988152"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           id="a13"
                           x3="2.54256"
                           xFract="0.28276886"
                           y3="1.49131"
                           yFract="0.28847709"
                           z3="8.72638"
                           zFract="0.34844203"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.21306"
                           xFract="0.13562612"
                           y3="0.70407"
                           yFract="0.1361944"
                           z3="6.20778"
                           zFract="0.24988326"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.0220"
                           xFract="0.28393002"
                           y3="4.05456"
                           yFract="0.78430887"
                           z3="9.21513"
                           zFract="0.3610174"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.4127"
                           xFract="0.93718015"
                           y3="4.9181"
                           yFract="0.95135094"
                           z3="10.14845"
                           zFract="0.38695331"/>
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                           id="a18"
                           x3="3.98967"
                           xFract="0.4512226"
                           y3="2.26211"
                           yFract="0.43757965"
                           z3="9.78391"
                           zFract="0.38696252"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51537"
                           xFract="0.45101222"
                           y3="4.92012"
                           yFract="0.95174168"
                           z3="9.97409"
                           zFract="0.38707123"/>
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                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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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                           yFract="0.63571699"
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                           zFract="0.24985951"/>
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                           y3="5.09746"
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                           yFract="0.83604599"
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                           y3="1.48932"
                           yFract="0.28809214"
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                           yFract="0.13652131"
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                           zFract="0.24592704"/>
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                           xFract="0.9860453"
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                           yFract="0.48604572"
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                           zFract="0.15000013"/>
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                           xFract="0.7875714"
                           y3="4.04804"
                           yFract="0.78304765"
                           z3="9.0909"
                           zFract="0.34843732"/>
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                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           yFract="0.63579823"
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                           zFract="0.24987061"/>
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                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           id="a13"
                           x3="2.54134"
                           xFract="0.28261144"
                           y3="1.49082"
                           yFract="0.2883823"
                           z3="8.72533"
                           zFract="0.34840284"/>
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                           xFract="0.13543373"
                           y3="0.70403"
                           yFract="0.13618666"
                           z3="6.20772"
                           zFract="0.24988379"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.0225"
                           xFract="0.28396571"
                           y3="4.05506"
                           yFract="0.78440559"
                           z3="9.21094"
                           zFract="0.36084402"/>
                     <atom elementType="H"
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                           x3="8.41286"
                           xFract="0.93726095"
                           y3="4.91754"
                           yFract="0.95124261"
                           z3="10.14486"
                           zFract="0.38680687"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98919"
                           xFract="0.45110259"
                           y3="2.26252"
                           yFract="0.43765896"
                           z3="9.78047"
                           zFract="0.38682241"/>
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                           x3="5.51537"
                           xFract="0.45101704"
                           y3="4.92007"
                           yFract="0.95173201"
                           z3="9.97012"
                           zFract="0.3869089"/>
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                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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="5.67743"
                           xFract="0.63570207"
                           y3="3.2855"
                           yFract="0.63554289"
                           z3="6.57183"
                           zFract="0.24985855"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.55144"
                           xFract="0.78767903"
                           y3="1.48896"
                           yFract="0.28802251"
                           z3="8.90868"
                           zFract="0.34837013"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19618"
                           xFract="0.6358619"
                           y3="0.70539"
                           yFract="0.13644973"
                           z3="6.29532"
                           zFract="0.24599421"/>
                     <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="7.0198"
                           xFract="0.78750398"
                           y3="4.04679"
                           yFract="0.78280585"
                           z3="9.08982"
                           zFract="0.34839775"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69389"
                           xFract="0.13524071"
                           y3="3.28579"
                           yFract="0.63559899"
                           z3="6.38908"
                           zFract="0.24985159"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53915"
                           xFract="0.28232987"
                           y3="1.48993"
                           yFract="0.28821014"
                           z3="8.72345"
                           zFract="0.34833271"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20979"
                           xFract="0.13508823"
                           y3="0.70396"
                           yFract="0.13617312"
                           z3="6.20761"
                           zFract="0.24988465"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.0234"
                           xFract="0.28403091"
                           y3="4.05595"
                           yFract="0.78457775"
                           z3="9.20341"
                           zFract="0.36053245"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41314"
                           xFract="0.93740427"
                           y3="4.91654"
                           yFract="0.95104917"
                           z3="10.1384"
                           zFract="0.38654336"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98833"
                           xFract="0.45088607"
                           y3="2.26327"
                           yFract="0.43780404"
                           z3="9.77429"
                           zFract="0.38657067"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51538"
                           xFract="0.45102739"
                           y3="4.91998"
                           yFract="0.9517146"
                           z3="9.96298"
                           zFract="0.38661694"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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="5.67563"
                           xFract="0.63539437"
                           y3="3.28556"
                           yFract="0.6355545"
                           z3="6.57076"
                           zFract="0.2498192"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.54971"
                           xFract="0.78744474"
                           y3="1.48838"
                           yFract="0.28791031"
                           z3="8.9085"
                           zFract="0.34836794"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19657"
                           xFract="0.63596393"
                           y3="0.70501"
                           yFract="0.13637623"
                           z3="6.29492"
                           zFract="0.24597742"/>
                     <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="7.01968"
                           xFract="0.78737304"
                           y3="4.04794"
                           yFract="0.78302831"
                           z3="9.08933"
                           zFract="0.34837634"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69352"
                           xFract="0.13515745"
                           y3="3.28601"
                           yFract="0.63564155"
                           z3="6.38779"
                           zFract="0.24979943"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53977"
                           xFract="0.28256683"
                           y3="1.48855"
                           yFract="0.2879432"
                           z3="8.72316"
                           zFract="0.3483213"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.2087"
                           xFract="0.13502007"
                           y3="0.70277"
                           yFract="0.13594292"
                           z3="6.20637"
                           zFract="0.24983838"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02453"
                           xFract="0.28421274"
                           y3="4.05603"
                           yFract="0.78459323"
                           z3="9.19963"
                           zFract="0.36037488"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.4122"
                           xFract="0.93721095"
                           y3="4.91691"
                           yFract="0.95112075"
                           z3="10.1367"
                           zFract="0.38647564"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98796"
                           xFract="0.45089917"
                           y3="2.26249"
                           yFract="0.43765316"
                           z3="9.77237"
                           zFract="0.38649419"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51544"
                           xFract="0.45102685"
                           y3="4.92009"
                           yFract="0.95173588"
                           z3="9.96121"
                           zFract="0.38654422"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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="5.67532"
                           xFract="0.63534141"
                           y3="3.28557"
                           yFract="0.63555643"
                           z3="6.57058"
                           zFract="0.2498126"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.54941"
                           xFract="0.78740406"
                           y3="1.48828"
                           yFract="0.28789097"
                           z3="8.90847"
                           zFract="0.34836761"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19663"
                           xFract="0.63598074"
                           y3="0.70494"
                           yFract="0.13636269"
                           z3="6.29485"
                           zFract="0.2459745"/>
                     <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="7.01966"
                           xFract="0.78735042"
                           y3="4.04814"
                           yFract="0.78306699"
                           z3="9.08925"
                           zFract="0.34837283"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69345"
                           xFract="0.13514185"
                           y3="3.28605"
                           yFract="0.63564928"
                           z3="6.38757"
                           zFract="0.24979055"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.53987"
                           xFract="0.28260673"
                           y3="1.48831"
                           yFract="0.28789677"
                           z3="8.7231"
                           zFract="0.34831894"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20851"
                           xFract="0.13500844"
                           y3="0.70256"
                           yFract="0.1359023"
                           z3="6.20615"
                           zFract="0.24983016"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02472"
                           xFract="0.28424364"
                           y3="4.05604"
                           yFract="0.78459516"
                           z3="9.19898"
                           zFract="0.3603478"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41203"
                           xFract="0.93717569"
                           y3="4.91698"
                           yFract="0.95113429"
                           z3="10.1364"
                           zFract="0.38646369"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98789"
                           xFract="0.45089995"
                           y3="2.26236"
                           yFract="0.43762801"
                           z3="9.77204"
                           zFract="0.38648105"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51545"
                           xFract="0.4510266"
                           y3="4.92011"
                           yFract="0.95173975"
                           z3="9.9609"
                           zFract="0.38653149"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</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="5.67445"
                           xFract="0.63517718"
                           y3="3.28576"
                           yFract="0.63559319"
                           z3="6.56967"
                           zFract="0.24977728"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.54936"
                           xFract="0.78739567"
                           y3="1.48828"
                           yFract="0.28789097"
                           z3="8.90816"
                           zFract="0.34835505"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19705"
                           xFract="0.63607045"
                           y3="0.70474"
                           yFract="0.136324"
                           z3="6.29373"
                           zFract="0.24592793"/>
                     <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="7.02046"
                           xFract="0.78750291"
                           y3="4.04795"
                           yFract="0.78303024"
                           z3="9.0883"
                           zFract="0.34833224"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="5.98241"
                           xFract="0.83604462"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69255"
                           xFract="0.13502847"
                           y3="3.28566"
                           yFract="0.63557384"
                           z3="6.38697"
                           zFract="0.24976882"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="5.82611"
                           xFract="0.48604511"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54026"
                           xFract="0.2826336"
                           y3="1.48871"
                           yFract="0.28797415"
                           z3="8.72238"
                           zFract="0.34828793"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20818"
                           xFract="0.13503595"
                           y3="0.7017"
                           yFract="0.13573595"
                           z3="6.20467"
                           zFract="0.24977169"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="4.02425"
                           xFract="0.2842072"
                           y3="4.0556"
                           yFract="0.78451005"
                           z3="9.19738"
                           zFract="0.36028416"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41177"
                           xFract="0.93711763"
                           y3="4.91713"
                           yFract="0.9511633"
                           z3="10.1365"
                           zFract="0.38646821"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98751"
                           xFract="0.45086801"
                           y3="2.26203"
                           yFract="0.43756417"
                           z3="9.7720"
                           zFract="0.38648084"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51516"
                           xFract="0.45098952"
                           y3="4.91999"
                           yFract="0.95171654"
                           z3="9.9616"
                           zFract="0.38656102"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a12" order="S"/>
                     <bond atomRefs2="a1 a15" order="S"/>
                     <bond atomRefs2="a1 a9" order="S"/>
                     <bond atomRefs2="a2 a8" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a7" order="S"/>
                     <bond atomRefs2="a2 a11" order="S"/>
                     <bond atomRefs2="a2 a10" order="S"/>
                     <bond atomRefs2="a2 a15" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a11" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a4 a9" order="S"/>
                     <bond atomRefs2="a4 a12" order="S"/>
                     <bond atomRefs2="a5 a8" order="S"/>
                     <bond atomRefs2="a5 a18" order="S"/>
                     <bond atomRefs2="a5 a13" order="S"/>
                     <bond atomRefs2="a5 a16" order="S"/>
                     <bond atomRefs2="a6 a14" order="S"/>
                     <bond atomRefs2="a6 a10" order="S"/>
                     <bond atomRefs2="a6 a15" order="S"/>
                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
                     <bond atomRefs2="a7 a15" order="S"/>
                     <bond atomRefs2="a8 a19" order="S"/>
                     <bond atomRefs2="a8 a17" order="S"/>
                     <bond atomRefs2="a8 a16" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H3Ag16">
                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="19">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="19">-0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="19">-0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="19">-0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="19">-0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">-0.000</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-20.70914491</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-20.71403301</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-20.71077427</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-7.3868</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.7395309E-05</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="5.67445"
                        xFract="0.63517718"
                        y3="3.28576"
                        yFract="0.63559319"
                        z3="6.56967"
                        zFract="0.24977728"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="8.80707"
                        xFract="0.98604578"
                        y3="5.09746"
                        yFract="0.9860461"
                        z3="4.38642"
                        zFract="0.15000004"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46731"
                        xFract="0.8360451"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.83238"
                        zFract="0.05000012"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="5.54936"
                        xFract="0.78739567"
                        y3="1.48828"
                        yFract="0.28789097"
                        z3="8.90816"
                        zFract="0.34835505"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.19705"
                        xFract="0.63607045"
                        y3="0.70474"
                        yFract="0.136324"
                        z3="6.29373"
                        zFract="0.24592793"/>
                  <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="7.02046"
                        xFract="0.78750291"
                        y3="4.04795"
                        yFract="0.78303024"
                        z3="9.0883"
                        zFract="0.34833224"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="5.98241"
                        xFract="0.83604462"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.64995"
                        zFract="0.05000021"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.69255"
                        xFract="0.13502847"
                        y3="3.28566"
                        yFract="0.63557384"
                        z3="6.38697"
                        zFract="0.24976882"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="5.82611"
                        xFract="0.48604511"
                        y3="5.09746"
                        yFract="0.9860461"
                        z3="4.20399"
                        zFract="0.15000013"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="4.48635"
                        xFract="0.33604443"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.64995"
                        zFract="0.05000021"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.54026"
                        xFract="0.2826336"
                        y3="1.48871"
                        yFract="0.28797415"
                        z3="8.72238"
                        zFract="0.34828793"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.20818"
                        xFract="0.13503595"
                        y3="0.7017"
                        yFract="0.13573595"
                        z3="6.20467"
                        zFract="0.24977169"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="4.34121"
                        xFract="0.48604463"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.02155"
                        zFract="0.14999981"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="4.02425"
                        xFract="0.2842072"
                        y3="4.0556"
                        yFract="0.78451005"
                        z3="9.19738"
                        zFract="0.36028416"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.41177"
                        xFract="0.93711763"
                        y3="4.91713"
                        yFract="0.9511633"
                        z3="10.1365"
                        zFract="0.38646821"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.98751"
                        xFract="0.45086801"
                        y3="2.26203"
                        yFract="0.43756417"
                        z3="9.7720"
                        zFract="0.38648084"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.51516"
                        xFract="0.45098952"
                        y3="4.91999"
                        yFract="0.95171654"
                        z3="9.9616"
                        zFract="0.38656102"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a12" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H3Ag16">
                  <atomArray count="3 16" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1725.8911999999996</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
