<?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">2025-04-07T10:59:29.000</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="5.67445434"
                        xFract="0.63517765"
                        y3="3.28576265"
                        yFract="0.6355937"
                        z3="6.56967113"
                        zFract="0.24977731"/>
                  <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="5.54936137"
                        xFract="0.7873961"
                        y3="1.48827794"
                        yFract="0.28789057"
                        z3="8.90816365"
                        zFract="0.3483552"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.19705211"
                        xFract="0.63607044"
                        y3="0.70474383"
                        yFract="0.13632474"
                        z3="6.29372789"
                        zFract="0.24592783"/>
                  <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="7.02046167"
                        xFract="0.78750353"
                        y3="4.04794648"
                        yFract="0.78302956"
                        z3="9.08830388"
                        zFract="0.3483324"/>
                  <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="2.69254653"
                        xFract="0.13502771"
                        y3="3.28566189"
                        yFract="0.63557421"
                        z3="6.38697172"
                        zFract="0.2497689"/>
                  <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="2.54025724"
                        xFract="0.28263348"
                        y3="1.4887065"
                        yFract="0.28797347"
                        z3="8.72237679"
                        zFract="0.34828781"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.20817966"
                        xFract="0.13503602"
                        y3="0.70169873"
                        yFract="0.1357357"
                        z3="6.20466572"
                        zFract="0.24977152"/>
                  <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="4.02424745"
                        xFract="0.28420662"
                        y3="4.05560162"
                        yFract="0.78451036"
                        z3="9.19737694"
                        zFract="0.36028404"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.41176783"
                        xFract="0.93711725"
                        y3="4.91713015"
                        yFract="0.95116333"
                        z3="10.1365013"
                        zFract="0.38646827"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.9875058"
                        xFract="0.45086747"
                        y3="2.26202833"
                        yFract="0.43756385"
                        z3="9.77200301"
                        zFract="0.38648098"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.51516168"
                        xFract="0.45099022"
                        y3="4.91998568"
                        yFract="0.9517157"
                        z3="9.96160385"
                        zFract="0.38656118"/>
               </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="5.67445432"
                        xFract="0.63517765"
                        y3="3.28576264"
                        yFract="0.6355937"
                        z3="6.56967105"
                        zFract="0.24977731"/>
                  <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="5.54936134"
                        xFract="0.78739609"
                        y3="1.48827793"
                        yFract="0.28789057"
                        z3="8.90816377"
                        zFract="0.34835521"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.19705211"
                        xFract="0.63607044"
                        y3="0.70474384"
                        yFract="0.13632474"
                        z3="6.29372779"
                        zFract="0.24592783"/>
                  <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="7.02046166"
                        xFract="0.78750353"
                        y3="4.04794648"
                        yFract="0.78302956"
                        z3="9.08830383"
                        zFract="0.3483324"/>
                  <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="2.69254651"
                        xFract="0.13502771"
                        y3="3.28566191"
                        yFract="0.63557421"
                        z3="6.38697174"
                        zFract="0.2497689"/>
                  <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="2.54025726"
                        xFract="0.28263348"
                        y3="1.4887065"
                        yFract="0.28797347"
                        z3="8.72237679"
                        zFract="0.34828781"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.20817965"
                        xFract="0.13503602"
                        y3="0.70169871"
                        yFract="0.13573569"
                        z3="6.20466569"
                        zFract="0.24977152"/>
                  <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="4.02424747"
                        xFract="0.28420662"
                        y3="4.05560161"
                        yFract="0.78451036"
                        z3="9.1973769"
                        zFract="0.36028404"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.41176781"
                        xFract="0.93711725"
                        y3="4.91713015"
                        yFract="0.95116333"
                        z3="10.13650125"
                        zFract="0.38646827"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.98750581"
                        xFract="0.45086747"
                        y3="2.26202835"
                        yFract="0.43756386"
                        z3="9.77200301"
                        zFract="0.38648098"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.51516166"
                        xFract="0.45099022"
                        y3="4.91998567"
                        yFract="0.9517157"
                        z3="9.96160383"
                        zFract="0.38656118"/>
               </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">178.2840</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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                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
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                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
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                           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="0.78732376"
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                           z3="8.90911"
                           zFract="0.3483962"/>
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                           xFract="0.63606567"
                           y3="0.70472"
                           yFract="0.13632013"
                           z3="6.2936"
                           zFract="0.24592274"/>
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                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           xFract="0.78741987"
                           y3="4.04869"
                           yFract="0.78317339"
                           z3="9.0893"
                           zFract="0.34837225"/>
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                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           xFract="0.13501702"
                           y3="3.28557"
                           yFract="0.63555643"
                           z3="6.38676"
                           zFract="0.24976066"/>
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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"
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                           zFract="0.05000021"/>
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                           xFract="0.28277593"
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                           yFract="0.2878871"
                           z3="8.72338"
                           zFract="0.34832801"/>
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                           y3="0.70181"
                           yFract="0.13575722"
                           z3="6.2045"
                           zFract="0.24976455"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.28420289"
                           y3="4.05561"
                           yFract="0.78451198"
                           z3="9.19762"
                           zFract="0.36029401"/>
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                           xFract="0.93717062"
                           y3="4.91705"
                           yFract="0.95114783"
                           z3="10.1355"
                           zFract="0.38642674"/>
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                           xFract="0.45085038"
                           y3="2.2623"
                           yFract="0.4376164"
                           z3="9.7710"
                           zFract="0.38643942"/>
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                           x3="5.5150"
                           xFract="0.45097232"
                           y3="4.91989"
                           yFract="0.95169719"
                           z3="9.96058"
                           zFract="0.38651984"/>
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                     <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"/>
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                     <bond atomRefs2="a7 a9" order="S"/>
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                     <bond atomRefs2="a8 a19" order="S"/>
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                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="H Ag"/>
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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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                           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="5.67482"
                           xFract="0.63525947"
                           y3="3.28555"
                           yFract="0.63555257"
                           z3="6.5690"
                           zFract="0.24974925"/>
                     <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"
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                           xFract="0.78710371"
                           y3="1.48661"
                           yFract="0.28756793"
                           z3="8.91194"
                           zFract="0.34851886"/>
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                           xFract="0.63604965"
                           y3="0.70466"
                           yFract="0.13630852"
                           z3="6.29321"
                           zFract="0.2459072"/>
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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="7.02018"
                           xFract="0.78716977"
                           y3="4.05092"
                           yFract="0.78360475"
                           z3="9.09228"
                           zFract="0.34849145"/>
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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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                           xFract="0.13498626"
                           y3="3.28528"
                           yFract="0.63550034"
                           z3="6.38612"
                           zFract="0.24973578"/>
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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"/>
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                           x3="2.54261"
                           xFract="0.28320122"
                           y3="1.48691"
                           yFract="0.28762596"
                           z3="8.72637"
                           zFract="0.34844787"/>
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                           id="a14"
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                           xFract="0.13500194"
                           y3="0.70214"
                           yFract="0.13582106"
                           z3="6.20402"
                           zFract="0.24974434"/>
                     <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="4.02418"
                           xFract="0.28419354"
                           y3="4.05562"
                           yFract="0.78451392"
                           z3="9.19835"
                           zFract="0.36032399"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41288"
                           xFract="0.93733368"
                           y3="4.91682"
                           yFract="0.95110334"
                           z3="10.1325"
                           zFract="0.38630225"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98772"
                           xFract="0.45080013"
                           y3="2.2631"
                           yFract="0.43777115"
                           z3="9.7680"
                           zFract="0.38631514"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51453"
                           xFract="0.45092239"
                           y3="4.91959"
                           yFract="0.95163916"
                           z3="9.95749"
                           zFract="0.38639505"/>
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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"/>
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                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           y3="1.73722"
                           yFract="0.3360456"
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                           yFract="0.83604599"
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                           y3="4.05537"
                           yFract="0.78446556"
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                           zFract="0.34873026"/>
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                           zFract="0.05000021"/>
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                           zFract="0.24968638"/>
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                           zFract="0.15000013"/>
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                           xFract="0.33604443"
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                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           y3="1.48422"
                           yFract="0.28710561"
                           z3="8.73237"
                           zFract="0.34868835"/>
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                           y3="0.7028"
                           yFract="0.13594873"
                           z3="6.20305"
                           zFract="0.24970353"/>
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                           zFract="0.14999981"/>
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                           y3="4.91636"
                           yFract="0.95101435"
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                           y3="2.26471"
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                           y3="4.9190"
                           yFract="0.95152503"
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                     <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="5.67648"
                           xFract="0.63562848"
                           y3="3.28461"
                           yFract="0.63537073"
                           z3="6.5660"
                           zFract="0.24962374"/>
                     <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="5.53449"
                           xFract="0.7857851"
                           y3="1.47911"
                           yFract="0.28611714"
                           z3="8.92895"
                           zFract="0.34925602"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19608"
                           xFract="0.63595208"
                           y3="0.70428"
                           yFract="0.13623502"
                           z3="6.29088"
                           zFract="0.24581444"/>
                     <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="7.01892"
                           xFract="0.78567109"
                           y3="4.06428"
                           yFract="0.78618909"
                           z3="9.11018"
                           zFract="0.34920747"/>
                     <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="2.6900"
                           xFract="0.13480215"
                           y3="3.28357"
                           yFract="0.63516956"
                           z3="6.38231"
                           zFract="0.24958761"/>
                     <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="2.55322"
                           xFract="0.28575941"
                           y3="1.47883"
                           yFract="0.28606297"
                           z3="8.74436"
                           zFract="0.34916893"/>
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                           id="a14"
                           x3="1.20843"
                           xFract="0.13484374"
                           y3="0.70413"
                           yFract="0.136206"
                           z3="6.20112"
                           zFract="0.24962233"/>
                     <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="4.02388"
                           xFract="0.28413454"
                           y3="4.05571"
                           yFract="0.78453133"
                           z3="9.20271"
                           zFract="0.36050296"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41786"
                           xFract="0.93830099"
                           y3="4.91545"
                           yFract="0.95083832"
                           z3="10.11449"
                           zFract="0.38555504"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98868"
                           xFract="0.45049479"
                           y3="2.26794"
                           yFract="0.4387074"
                           z3="9.7500"
                           zFract="0.3855694"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51167"
                           xFract="0.45061227"
                           y3="4.91783"
                           yFract="0.95129871"
                           z3="9.93898"
                           zFract="0.38564758"/>
                  </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"/>
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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.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>
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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="5.67581"
                           xFract="0.63547949"
                           y3="3.28499"
                           yFract="0.63544424"
                           z3="6.56721"
                           zFract="0.24967436"/>
                     <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="5.53939"
                           xFract="0.78631502"
                           y3="1.48214"
                           yFract="0.28670325"
                           z3="8.9221"
                           zFract="0.34895915"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.1964"
                           xFract="0.6359913"
                           y3="0.70443"
                           yFract="0.13626403"
                           z3="6.29182"
                           zFract="0.24585187"/>
                     <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="7.01943"
                           xFract="0.78627504"
                           y3="4.0589"
                           yFract="0.78514839"
                           z3="9.10297"
                           zFract="0.34891906"/>
                     <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="2.69084"
                           xFract="0.13487655"
                           y3="3.28426"
                           yFract="0.63530303"
                           z3="6.38384"
                           zFract="0.2496471"/>
                     <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="2.54894"
                           xFract="0.2847274"
                           y3="1.48209"
                           yFract="0.28669358"
                           z3="8.73711"
                           zFract="0.34887835"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20835"
                           xFract="0.13490741"
                           y3="0.70333"
                           yFract="0.13605125"
                           z3="6.20229"
                           zFract="0.24967155"/>
                     <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="4.0240"
                           xFract="0.28415853"
                           y3="4.05567"
                           yFract="0.78452359"
                           z3="9.20095"
                           zFract="0.36043072"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41585"
                           xFract="0.93791086"
                           y3="4.9160"
                           yFract="0.95094472"
                           z3="10.12174"
                           zFract="0.38585585"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.9883"
                           xFract="0.45061895"
                           y3="2.26599"
                           yFract="0.43833019"
                           z3="9.75726"
                           zFract="0.38587016"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51282"
                           xFract="0.45073675"
                           y3="4.91854"
                           yFract="0.95143605"
                           z3="9.94644"
                           zFract="0.38594883"/>
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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"/>
                  </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>
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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="5.67628"
                           xFract="0.63559012"
                           y3="3.28466"
                           yFract="0.6353804"
                           z3="6.56771"
                           zFract="0.24969411"/>
                     <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"
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                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           xFract="0.78641509"
                           y3="1.48279"
                           yFract="0.28682899"
                           z3="8.92306"
                           zFract="0.34899505"/>
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                           id="a6"
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                           xFract="0.6359908"
                           y3="0.70447"
                           yFract="0.13627177"
                           z3="6.29181"
                           zFract="0.24585135"/>
                     <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="7.01902"
                           xFract="0.78634791"
                           y3="4.05743"
                           yFract="0.78486404"
                           z3="9.10382"
                           zFract="0.34895698"/>
                     <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="2.69014"
                           xFract="0.13479479"
                           y3="3.28389"
                           yFract="0.63523146"
                           z3="6.3842"
                           zFract="0.24966411"/>
                     <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="2.54756"
                           xFract="0.28445064"
                           y3="1.48256"
                           yFract="0.2867845"
                           z3="8.7381"
                           zFract="0.34892162"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20831"
                           xFract="0.13485734"
                           y3="0.70378"
                           yFract="0.1361383"
                           z3="6.20272"
                           zFract="0.24968858"/>
                     <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="4.02398"
                           xFract="0.28416577"
                           y3="4.05556"
                           yFract="0.78450231"
                           z3="9.19977"
                           zFract="0.36038266"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41677"
                           xFract="0.93809889"
                           y3="4.91565"
                           yFract="0.95087701"
                           z3="10.1202"
                           zFract="0.38579106"/>
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                           id="a18"
                           x3="3.9884"
                           xFract="0.45054611"
                           y3="2.26692"
                           yFract="0.43851009"
                           z3="9.75566"
                           zFract="0.38580311"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.5122"
                           xFract="0.45067226"
                           y3="4.91813"
                           yFract="0.95135674"
                           z3="9.94482"
                           zFract="0.38588471"/>
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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"/>
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                     <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>
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               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="5.67767"
                           xFract="0.63591962"
                           y3="3.28366"
                           yFract="0.63518697"
                           z3="6.56919"
                           zFract="0.24975263"/>
                     <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="5.54328"
                           xFract="0.78671697"
                           y3="1.48474"
                           yFract="0.2872062"
                           z3="8.92595"
                           zFract="0.34910313"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19645"
                           xFract="0.63598234"
                           y3="0.70461"
                           yFract="0.13629885"
                           z3="6.2918"
                           zFract="0.24585067"/>
                     <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="7.0178"
                           xFract="0.78656532"
                           y3="4.05305"
                           yFract="0.78401678"
                           z3="9.10639"
                           zFract="0.34907151"/>
                     <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="2.68806"
                           xFract="0.1345548"
                           y3="3.28276"
                           yFract="0.63501287"
                           z3="6.38528"
                           zFract="0.24971513"/>
                     <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="2.54342"
                           xFract="0.28362133"
                           y3="1.48396"
                           yFract="0.28705531"
                           z3="8.74109"
                           zFract="0.34905227"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20817"
                           xFract="0.13470281"
                           y3="0.70514"
                           yFract="0.13640137"
                           z3="6.20403"
                           zFract="0.24974055"/>
                     <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="4.02391"
                           xFract="0.28418679"
                           y3="4.05522"
                           yFract="0.78443654"
                           z3="9.19623"
                           zFract="0.36023852"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.41952"
                           xFract="0.93866037"
                           y3="4.91461"
                           yFract="0.95067584"
                           z3="10.11555"
                           zFract="0.38559546"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98873"
                           xFract="0.45033262"
                           y3="2.26971"
                           yFract="0.43904978"
                           z3="9.75086"
                           zFract="0.38560189"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.51033"
                           xFract="0.45047809"
                           y3="4.91689"
                           yFract="0.95111688"
                           z3="9.93995"
                           zFract="0.38569197"/>
                  </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"/>
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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"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
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               <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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                           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="5.68046"
                           xFract="0.63657934"
                           y3="3.28167"
                           yFract="0.63480202"
                           z3="6.57215"
                           zFract="0.24986961"/>
                     <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="5.5491"
                           xFract="0.78731737"
                           y3="1.48864"
                           yFract="0.28796061"
                           z3="8.93174"
                           zFract="0.34931976"/>
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                           id="a6"
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                           xFract="0.63596903"
                           y3="0.70487"
                           yFract="0.13634915"
                           z3="6.29176"
                           zFract="0.24584848"/>
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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="7.01535"
                           xFract="0.78699943"
                           y3="4.04428"
                           yFract="0.78232032"
                           z3="9.11152"
                           zFract="0.34930021"/>
                     <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="2.68389"
                           xFract="0.13407216"
                           y3="3.28051"
                           yFract="0.63457763"
                           z3="6.38743"
                           zFract="0.24981678"/>
                     <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="2.53513"
                           xFract="0.28196008"
                           y3="1.48677"
                           yFract="0.28759888"
                           z3="8.74705"
                           zFract="0.34931275"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20791"
                           xFract="0.13439807"
                           y3="0.70785"
                           yFract="0.13692559"
                           z3="6.20664"
                           zFract="0.24984404"/>
                     <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="4.02377"
                           xFract="0.28422883"
                           y3="4.05454"
                           yFract="0.784305"
                           z3="9.18915"
                           zFract="0.35995024"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42502"
                           xFract="0.93978428"
                           y3="4.91252"
                           yFract="0.95027155"
                           z3="10.10626"
                           zFract="0.3852047"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98938"
                           xFract="0.44990398"
                           y3="2.27529"
                           yFract="0.44012917"
                           z3="9.74126"
                           zFract="0.38519947"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.50658"
                           xFract="0.45008806"
                           y3="4.91441"
                           yFract="0.95063715"
                           z3="9.93022"
                           zFract="0.38530693"/>
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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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                  <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="5.67893"
                           xFract="0.63621769"
                           y3="3.28276"
                           yFract="0.63501287"
                           z3="6.57052"
                           zFract="0.24980518"/>
                     <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"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="5.5459"
                           xFract="0.78698684"
                           y3="1.4865"
                           yFract="0.28754665"
                           z3="8.92856"
                           zFract="0.34920079"/>
                     <atom elementType="Ag"
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                           x3="4.19648"
                           xFract="0.63597581"
                           y3="0.70473"
                           yFract="0.13632206"
                           z3="6.29178"
                           zFract="0.2458496"/>
                     <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="7.01669"
                           xFract="0.78675975"
                           y3="4.0491"
                           yFract="0.7832527"
                           z3="9.1087"
                           zFract="0.34917451"/>
                     <atom elementType="Ag"
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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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                           id="a10"
                           x3="2.68618"
                           xFract="0.13433775"
                           y3="3.28174"
                           yFract="0.63481556"
                           z3="6.38625"
                           zFract="0.249761"/>
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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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                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           xFract="0.28287164"
                           y3="1.48523"
                           yFract="0.28730098"
                           z3="8.74377"
                           zFract="0.34916942"/>
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                           xFract="0.1345668"
                           y3="0.70636"
                           yFract="0.13663737"
                           z3="6.20521"
                           zFract="0.24978733"/>
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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="4.02385"
                           xFract="0.2842066"
                           y3="4.05491"
                           yFract="0.78437657"
                           z3="9.19304"
                           zFract="0.36010863"/>
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                           id="a17"
                           x3="8.4220"
                           xFract="0.93916692"
                           y3="4.91367"
                           yFract="0.950494"
                           z3="10.11137"
                           zFract="0.38541963"/>
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                           id="a18"
                           x3="3.98902"
                           xFract="0.45013941"
                           y3="2.27222"
                           yFract="0.43953531"
                           z3="9.74653"
                           zFract="0.3854204"/>
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                           id="a19"
                           x3="5.50864"
                           xFract="0.45030254"
                           y3="4.91577"
                           yFract="0.95090023"
                           z3="9.93557"
                           zFract="0.38551865"/>
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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"/>
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                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               </molecule>
               <molecule id="calculation.position.12">
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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="5.67825"
                           xFract="0.63612001"
                           y3="3.28259"
                           yFract="0.63497999"
                           z3="6.57103"
                           zFract="0.24982799"/>
                     <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="5.54641"
                           xFract="0.78708394"
                           y3="1.48638"
                           yFract="0.28752344"
                           z3="8.92837"
                           zFract="0.34919192"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19619"
                           xFract="0.63593681"
                           y3="0.70463"
                           yFract="0.13630272"
                           z3="6.2932"
                           zFract="0.24590856"/>
                     <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="7.01681"
                           xFract="0.78677314"
                           y3="4.04917"
                           yFract="0.78326624"
                           z3="9.10876"
                           zFract="0.34917656"/>
                     <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="2.68664"
                           xFract="0.1344043"
                           y3="3.28185"
                           yFract="0.63483684"
                           z3="6.38672"
                           zFract="0.24977891"/>
                     <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="2.53934"
                           xFract="0.28283196"
                           y3="1.48505"
                           yFract="0.28726616"
                           z3="8.74385"
                           zFract="0.3491738"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20798"
                           xFract="0.13461794"
                           y3="0.70569"
                           yFract="0.13650777"
                           z3="6.20596"
                           zFract="0.24981918"/>
                     <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="4.02368"
                           xFract="0.28413472"
                           y3="4.05536"
                           yFract="0.78446362"
                           z3="9.18807"
                           zFract="0.35990509"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42213"
                           xFract="0.93920221"
                           y3="4.91353"
                           yFract="0.95046692"
                           z3="10.10923"
                           zFract="0.38533196"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98887"
                           xFract="0.4501075"
                           y3="2.27229"
                           yFract="0.43954885"
                           z3="9.74464"
                           zFract="0.38534336"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.5082"
                           xFract="0.45025668"
                           y3="4.91548"
                           yFract="0.95084413"
                           z3="9.93389"
                           zFract="0.38545145"/>
                  </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"/>
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                     <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"/>
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                     <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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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           xFract="0.63583201"
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                           yFract="0.63488133"
                           z3="6.57256"
                           zFract="0.24989635"/>
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                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
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                           zFract="0.15000004"/>
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                           x3="7.46731"
                           xFract="0.8360451"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000012"/>
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                           yFract="0.2874596"
                           z3="8.92781"
                           zFract="0.34916568"/>
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                           yFract="0.13624856"
                           z3="6.29745"
                           zFract="0.24608502"/>
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                           id="a7"
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                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="7.01714"
                           xFract="0.78680825"
                           y3="4.04938"
                           yFract="0.78330686"
                           z3="9.10893"
                           zFract="0.34918239"/>
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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"
                           x3="2.68803"
                           xFract="0.13460758"
                           y3="3.28216"
                           yFract="0.63489681"
                           z3="6.38812"
                           zFract="0.24983225"/>
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                           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="2.5383"
                           xFract="0.28270955"
                           y3="1.48451"
                           yFract="0.2871617"
                           z3="8.74407"
                           zFract="0.34918619"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20776"
                           xFract="0.13477568"
                           y3="0.70367"
                           yFract="0.13611702"
                           z3="6.2082"
                           zFract="0.24991429"/>
                     <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="4.02318"
                           xFract="0.28392174"
                           y3="4.0567"
                           yFract="0.78472283"
                           z3="9.17315"
                           zFract="0.35929407"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.4225"
                           xFract="0.93930474"
                           y3="4.91311"
                           yFract="0.95038568"
                           z3="10.10281"
                           zFract="0.38506902"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98841"
                           xFract="0.45001204"
                           y3="2.27248"
                           yFract="0.43958561"
                           z3="9.73896"
                           zFract="0.38511189"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.50689"
                           xFract="0.45012271"
                           y3="4.91459"
                           yFract="0.95067197"
                           z3="9.92886"
                           zFract="0.38525026"/>
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                     <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"/>
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                     <bond atomRefs2="a10 a15" order="S"/>
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                  <property dictRef="cml:molmass">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           y3="0.70379"
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                           xFract="0.9860453"
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                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           x3="7.01781"
                           xFract="0.78688113"
                           y3="4.04979"
                           yFract="0.78338617"
                           z3="9.10928"
                           zFract="0.34919443"/>
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                           xFract="0.83604462"
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                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           xFract="0.13501509"
                           y3="3.28277"
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                           zFract="0.15000013"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.28349409"
                           y3="4.05938"
                           yFract="0.78524125"
                           z3="9.14332"
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                           xFract="0.93951412"
                           y3="4.91226"
                           yFract="0.95022126"
                           z3="10.08997"
                           zFract="0.38454311"/>
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                           x3="3.98748"
                           xFract="0.4498204"
                           y3="2.27285"
                           yFract="0.43965718"
                           z3="9.72759"
                           zFract="0.38464857"/>
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                           x3="5.50425"
                           xFract="0.44984949"
                           y3="4.91283"
                           yFract="0.95033152"
                           z3="9.91879"
                           zFract="0.38484749"/>
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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"/>
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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"/>
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                     <bond atomRefs2="a10 a15" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
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                     <bond atomRefs2="a16 a19" order="S"/>
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                     <atomArray count="3 16" elementType="H Ag"/>
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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"
                           zFract="0.04999987"/>
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                           x3="5.67523"
                           xFract="0.63568766"
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                           yFract="0.63483104"
                           z3="6.57334"
                           zFract="0.24993116"/>
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                           id="a3"
                           x3="8.80707"
                           xFract="0.98604578"
                           y3="5.09746"
                           yFract="0.9860461"
                           z3="4.38642"
                           zFract="0.15000004"/>
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                           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="0.78751623"
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                           yFract="0.28742672"
                           z3="8.92753"
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                           z3="4.20399"
                           zFract="0.15000013"/>
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                           x3="7.01731"
                           xFract="0.78682713"
                           y3="4.04948"
                           yFract="0.7833262"
                           z3="9.10902"
                           zFract="0.3491855"/>
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                           id="a9"
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                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000021"/>
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                           xFract="0.13471054"
                           y3="3.28231"
                           yFract="0.63492582"
                           z3="6.38883"
                           zFract="0.24985933"/>
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                           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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                           x3="2.53777"
                           xFract="0.28264667"
                           y3="1.48424"
                           yFract="0.28710948"
                           z3="8.74418"
                           zFract="0.34919241"/>
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                           xFract="0.13485384"
                           y3="0.70265"
                           yFract="0.13591971"
                           z3="6.20934"
                           zFract="0.2499627"/>
                     <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="4.02292"
                           xFract="0.28381357"
                           y3="4.05737"
                           yFract="0.78485243"
                           z3="9.16563"
                           zFract="0.35898614"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42269"
                           xFract="0.93935781"
                           y3="4.91289"
                           yFract="0.95034312"
                           z3="10.09957"
                           zFract="0.38493633"/>
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                           id="a18"
                           x3="3.98817"
                           xFract="0.44996311"
                           y3="2.27257"
                           yFract="0.43960302"
                           z3="9.73609"
                           zFract="0.38499496"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.50622"
                           xFract="0.45005273"
                           y3="4.91415"
                           yFract="0.95058685"
                           z3="9.92632"
                           zFract="0.38514867"/>
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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"/>
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                     <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"/>
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                     <bond atomRefs2="a9 a15" order="S"/>
                     <bond atomRefs2="a10 a15" order="S"/>
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                     <bond atomRefs2="a12 a15" order="S"/>
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                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           y3="1.73722"
                           yFract="0.3360456"
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                           yFract="0.78341905"
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                           z3="1.64995"
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                           y3="3.28227"
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                           z3="6.38803"
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                           yFract="0.9860461"
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                           zFract="0.15000013"/>
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                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
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                           xFract="0.28287678"
                           y3="1.48408"
                           yFract="0.28707853"
                           z3="8.74374"
                           zFract="0.34917144"/>
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                           y3="0.70269"
                           yFract="0.13592745"
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                           zFract="0.24992325"/>
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                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.28411302"
                           y3="4.05562"
                           yFract="0.78451392"
                           z3="9.15766"
                           zFract="0.35866069"/>
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                           x3="8.42278"
                           xFract="0.93939989"
                           y3="4.91261"
                           yFract="0.95028896"
                           z3="10.09794"
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                           x3="3.98812"
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                           yFract="0.43979646"
                           z3="9.73341"
                           zFract="0.384884"/>
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                           xFract="0.44993607"
                           y3="4.91315"
                           yFract="0.95039342"
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                     <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="5.67616"
                           xFract="0.6358369"
                           y3="3.28189"
                           yFract="0.63484458"
                           z3="6.57137"
                           zFract="0.24984815"/>
                     <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="5.5451"
                           xFract="0.786764"
                           y3="1.48742"
                           yFract="0.28772461"
                           z3="8.92552"
                           zFract="0.3490771"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19576"
                           xFract="0.63597164"
                           y3="0.70352"
                           yFract="0.136088"
                           z3="6.29754"
                           zFract="0.24608878"/>
                     <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="7.0156"
                           xFract="0.78644203"
                           y3="4.0505"
                           yFract="0.78352351"
                           z3="9.1061"
                           zFract="0.34906885"/>
                     <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="2.68846"
                           xFract="0.13467296"
                           y3="3.28223"
                           yFract="0.63491035"
                           z3="6.38711"
                           zFract="0.24978976"/>
                     <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="2.54051"
                           xFract="0.28313902"
                           y3="1.4839"
                           yFract="0.28704371"
                           z3="8.74324"
                           zFract="0.34914759"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20775"
                           xFract="0.13486265"
                           y3="0.70275"
                           yFract="0.13593906"
                           z3="6.20729"
                           zFract="0.24987842"/>
                     <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="4.0246"
                           xFract="0.28445766"
                           y3="4.05361"
                           yFract="0.7841251"
                           z3="9.14852"
                           zFract="0.35828746"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42289"
                           xFract="0.93945013"
                           y3="4.91228"
                           yFract="0.95022512"
                           z3="10.09607"
                           zFract="0.38479354"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98806"
                           xFract="0.44973846"
                           y3="2.27471"
                           yFract="0.44001698"
                           z3="9.73034"
                           zFract="0.38475692"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.5035"
                           xFract="0.44980367"
                           y3="4.9120"
                           yFract="0.95017096"
                           z3="9.92258"
                           zFract="0.38500561"/>
                  </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="5.6764"
                           xFract="0.63587523"
                           y3="3.28191"
                           yFract="0.63484845"
                           z3="6.57087"
                           zFract="0.24982706"/>
                     <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="5.54417"
                           xFract="0.78656947"
                           y3="1.48782"
                           yFract="0.28780199"
                           z3="8.92501"
                           zFract="0.34905799"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.1960"
                           xFract="0.63602924"
                           y3="0.70334"
                           yFract="0.13605318"
                           z3="6.29701"
                           zFract="0.24606676"/>
                     <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="7.01515"
                           xFract="0.78634149"
                           y3="4.05076"
                           yFract="0.7835738"
                           z3="9.10534"
                           zFract="0.34903851"/>
                     <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="2.68839"
                           xFract="0.13466314"
                           y3="3.28221"
                           yFract="0.63490648"
                           z3="6.38667"
                           zFract="0.24977197"/>
                     <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="2.54122"
                           xFract="0.28326678"
                           y3="1.48381"
                           yFract="0.2870263"
                           z3="8.74299"
                           zFract="0.34913571"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20778"
                           xFract="0.13486576"
                           y3="0.70277"
                           yFract="0.13594292"
                           z3="6.20676"
                           zFract="0.24985664"/>
                     <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="4.02503"
                           xFract="0.28462325"
                           y3="4.05264"
                           yFract="0.78393747"
                           z3="9.1441"
                           zFract="0.35810698"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42294"
                           xFract="0.93947394"
                           y3="4.91212"
                           yFract="0.95019417"
                           z3="10.09516"
                           zFract="0.38475642"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98803"
                           xFract="0.44967947"
                           y3="2.27527"
                           yFract="0.4401253"
                           z3="9.72885"
                           zFract="0.38469523"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.50279"
                           xFract="0.44973854"
                           y3="4.91144"
                           yFract="0.95006264"
                           z3="9.92162"
                           zFract="0.38496892"/>
                  </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="5.67734"
                           xFract="0.63603193"
                           y3="3.28192"
                           yFract="0.63485038"
                           z3="6.56885"
                           zFract="0.24974206"/>
                     <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="5.54381"
                           xFract="0.78659677"
                           y3="1.48691"
                           yFract="0.28762596"
                           z3="8.92387"
                           zFract="0.34901358"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19644"
                           xFract="0.63611075"
                           y3="0.70326"
                           yFract="0.13603771"
                           z3="6.2948"
                           zFract="0.24597537"/>
                     <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="7.01498"
                           xFract="0.78628504"
                           y3="4.05105"
                           yFract="0.7836299"
                           z3="9.10427"
                           zFract="0.34899475"/>
                     <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="2.68799"
                           xFract="0.13463556"
                           y3="3.2818"
                           yFract="0.63482717"
                           z3="6.38495"
                           zFract="0.2497032"/>
                     <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="2.54107"
                           xFract="0.28332063"
                           y3="1.48299"
                           yFract="0.28686768"
                           z3="8.74148"
                           zFract="0.34907551"/>
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                           id="a14"
                           x3="1.20786"
                           xFract="0.13482136"
                           y3="0.70337"
                           yFract="0.13605899"
                           z3="6.2050"
                           zFract="0.24978357"/>
                     <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="4.0242"
                           xFract="0.28442429"
                           y3="4.05326"
                           yFract="0.7840574"
                           z3="9.13739"
                           zFract="0.35783368"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.4241"
                           xFract="0.93973692"
                           y3="4.91141"
                           yFract="0.95005683"
                           z3="10.09333"
                           zFract="0.38467969"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98791"
                           xFract="0.44955045"
                           y3="2.2764"
                           yFract="0.44034389"
                           z3="9.72754"
                           zFract="0.38464031"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.50094"
                           xFract="0.44954001"
                           y3="4.91028"
                           yFract="0.94983825"
                           z3="9.92002"
                           zFract="0.38490979"/>
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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"/>
                  </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>
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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="5.67828"
                           xFract="0.63618767"
                           y3="3.28194"
                           yFract="0.63485425"
                           z3="6.56684"
                           zFract="0.24965746"/>
                     <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="5.54345"
                           xFract="0.78662504"
                           y3="1.48599"
                           yFract="0.28744799"
                           z3="8.92273"
                           zFract="0.34896918"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19689"
                           xFract="0.63619297"
                           y3="0.70319"
                           yFract="0.13602417"
                           z3="6.29258"
                           zFract="0.24588353"/>
                     <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="7.0148"
                           xFract="0.78622786"
                           y3="4.05133"
                           yFract="0.78368406"
                           z3="9.10319"
                           zFract="0.34895061"/>
                     <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="2.6876"
                           xFract="0.13460965"
                           y3="3.28139"
                           yFract="0.63474786"
                           z3="6.38324"
                           zFract="0.24963482"/>
                     <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="2.54092"
                           xFract="0.28337545"
                           y3="1.48216"
                           yFract="0.28670712"
                           z3="8.73997"
                           zFract="0.34901532"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20795"
                           xFract="0.13477768"
                           y3="0.70398"
                           yFract="0.13617699"
                           z3="6.20323"
                           zFract="0.24971006"/>
                     <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="4.02336"
                           xFract="0.28422366"
                           y3="4.05388"
                           yFract="0.78417733"
                           z3="9.13067"
                           zFract="0.35755999"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42526"
                           xFract="0.94000087"
                           y3="4.91069"
                           yFract="0.94991756"
                           z3="10.09151"
                           zFract="0.38460338"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98779"
                           xFract="0.44942048"
                           y3="2.27754"
                           yFract="0.44056441"
                           z3="9.72623"
                           zFract="0.38458537"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.49908"
                           xFract="0.4493398"
                           y3="4.90912"
                           yFract="0.94961386"
                           z3="9.91842"
                           zFract="0.38485067"/>
                  </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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                     <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.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
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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="5.68016"
                           xFract="0.63650012"
                           y3="3.28197"
                           yFract="0.63486005"
                           z3="6.5628"
                           zFract="0.24948745"/>
                     <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="5.54273"
                           xFract="0.7866806"
                           y3="1.48416"
                           yFract="0.287094"
                           z3="8.92046"
                           zFract="0.34888077"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19779"
                           xFract="0.63635838"
                           y3="0.70304"
                           yFract="0.13599515"
                           z3="6.28814"
                           zFract="0.24569987"/>
                     <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="7.01445"
                           xFract="0.78611423"
                           y3="4.0519"
                           yFract="0.78379432"
                           z3="9.10104"
                           zFract="0.34886272"/>
                     <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="2.68681"
                           xFract="0.13455712"
                           y3="3.28056"
                           yFract="0.63458731"
                           z3="6.37981"
                           zFract="0.24949769"/>
                     <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="2.54062"
                           xFract="0.28348508"
                           y3="1.4805"
                           yFract="0.28638602"
                           z3="8.73694"
                           zFract="0.34889453"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20812"
                           xFract="0.1346896"
                           y3="0.70519"
                           yFract="0.13641105"
                           z3="6.19971"
                           zFract="0.24956389"/>
                     <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="4.02169"
                           xFract="0.28382406"
                           y3="4.05512"
                           yFract="0.7844172"
                           z3="9.11724"
                           zFract="0.357013"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42758"
                           xFract="0.94052683"
                           y3="4.90927"
                           yFract="0.94964287"
                           z3="10.08785"
                           zFract="0.38444991"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98754"
                           xFract="0.44915885"
                           y3="2.27982"
                           yFract="0.44100545"
                           z3="9.7236"
                           zFract="0.3844751"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.49537"
                           xFract="0.44894203"
                           y3="4.90679"
                           yFract="0.94916315"
                           z3="9.91522"
                           zFract="0.38473243"/>
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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>
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               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
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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="5.68062"
                           xFract="0.63657631"
                           y3="3.28198"
                           yFract="0.63486199"
                           z3="6.56182"
                           zFract="0.24944619"/>
                     <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="5.54255"
                           xFract="0.78669281"
                           y3="1.48372"
                           yFract="0.28700889"
                           z3="8.91991"
                           zFract="0.34885936"/>
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                           id="a6"
                           x3="4.1980"
                           xFract="0.63639746"
                           y3="0.7030"
                           yFract="0.13598742"
                           z3="6.28706"
                           zFract="0.24565522"/>
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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="7.01437"
                           xFract="0.78608733"
                           y3="4.05204"
                           yFract="0.7838214"
                           z3="9.10051"
                           zFract="0.34884103"/>
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                           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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                           x3="2.68662"
                           xFract="0.13454452"
                           y3="3.28036"
                           yFract="0.63454862"
                           z3="6.37897"
                           zFract="0.24946409"/>
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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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                           x3="4.48635"
                           xFract="0.33604443"
                           y3="4.32202"
                           yFract="0.83604599"
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                           zFract="0.05000021"/>
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                           xFract="0.2835102"
                           y3="1.4801"
                           yFract="0.28630864"
                           z3="8.73621"
                           zFract="0.34886545"/>
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                           y3="0.70548"
                           yFract="0.13646714"
                           z3="6.19885"
                           zFract="0.24952819"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           x3="4.02129"
                           xFract="0.28372806"
                           y3="4.05542"
                           yFract="0.78447523"
                           z3="9.11398"
                           zFract="0.35688021"/>
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                           x3="8.42815"
                           xFract="0.94065616"
                           y3="4.90892"
                           yFract="0.94957517"
                           z3="10.08696"
                           zFract="0.38441258"/>
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                           x3="3.98748"
                           xFract="0.44909579"
                           y3="2.28037"
                           yFract="0.44111184"
                           z3="9.72296"
                           zFract="0.38444828"/>
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                           x3="5.49446"
                           xFract="0.44884336"
                           y3="4.90623"
                           yFract="0.94905482"
                           z3="9.91444"
                           zFract="0.38470362"/>
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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"/>
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                     <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"/>
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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"/>
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                     <bond atomRefs2="a10 a13" order="S"/>
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                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="3 16" elementType="H Ag"/>
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                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               <molecule id="calculation.position.23">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="5.68039"
                           xFract="0.6365387"
                           y3="3.28197"
                           yFract="0.63486005"
                           z3="6.56231"
                           zFract="0.24946683"/>
                     <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="5.54264"
                           xFract="0.78668671"
                           y3="1.48394"
                           yFract="0.28705144"
                           z3="8.92019"
                           zFract="0.34887027"/>
                     <atom elementType="Ag"
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                           xFract="0.63637876"
                           y3="0.70302"
                           yFract="0.13599128"
                           z3="6.2876"
                           zFract="0.24567753"/>
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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="7.01441"
                           xFract="0.78610078"
                           y3="4.05197"
                           yFract="0.78380786"
                           z3="9.10077"
                           zFract="0.34885167"/>
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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="0.13455166"
                           y3="3.28046"
                           yFract="0.63456796"
                           z3="6.37939"
                           zFract="0.24948088"/>
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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"/>
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                           x3="2.54058"
                           xFract="0.28349764"
                           y3="1.4803"
                           yFract="0.28634733"
                           z3="8.73657"
                           zFract="0.34887978"/>
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                           xFract="0.1346785"
                           y3="0.70534"
                           yFract="0.13644006"
                           z3="6.19928"
                           zFract="0.24954603"/>
                     <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="4.02149"
                           xFract="0.28377606"
                           y3="4.05527"
                           yFract="0.78444621"
                           z3="9.11561"
                           zFract="0.3569466"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42786"
                           xFract="0.94059114"
                           y3="4.90909"
                           yFract="0.94960805"
                           z3="10.08741"
                           zFract="0.38443147"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98751"
                           xFract="0.4491278"
                           y3="2.28009"
                           yFract="0.44105768"
                           z3="9.72328"
                           zFract="0.3844617"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.49491"
                           xFract="0.44889185"
                           y3="4.90651"
                           yFract="0.94910898"
                           z3="9.91483"
                           zFract="0.38471804"/>
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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"/>
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                     <bond atomRefs2="a2 a10" order="S"/>
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                     <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"/>
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                     <bond atomRefs2="a7 a9" order="S"/>
                     <bond atomRefs2="a7 a11" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           y3="1.73722"
                           yFract="0.3360456"
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                           yFract="0.83604599"
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                           yFract="0.78359702"
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                           yFract="0.6344577"
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                           zFract="0.15000013"/>
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                           y3="4.32202"
                           yFract="0.83604599"
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                           yFract="0.28637441"
                           z3="8.73589"
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                           y3="0.7055"
                           yFract="0.13647101"
                           z3="6.19721"
                           zFract="0.24946005"/>
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                           y3="4.05504"
                           yFract="0.78440172"
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                           xFract="0.94076719"
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                           yFract="0.9494533"
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                           yFract="0.44126079"
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                           y3="4.90563"
                           yFract="0.94893876"
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                     <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.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </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="5.67965"
                           xFract="0.63640108"
                           y3="3.28211"
                           yFract="0.63488714"
                           z3="6.55889"
                           zFract="0.24932857"/>
                     <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="5.5424"
                           xFract="0.78661754"
                           y3="1.48424"
                           yFract="0.28710948"
                           z3="8.91887"
                           zFract="0.34881644"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="4.19733"
                           xFract="0.63620992"
                           y3="0.70378"
                           yFract="0.1361383"
                           z3="6.28956"
                           zFract="0.24575804"/>
                     <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="7.0135"
                           xFract="0.78616013"
                           y3="4.04977"
                           yFract="0.7833823"
                           z3="9.10019"
                           zFract="0.34883341"/>
                     <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="2.68652"
                           xFract="0.13462989"
                           y3="3.2793"
                           yFract="0.63434357"
                           z3="6.37631"
                           zFract="0.24935707"/>
                     <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="2.53973"
                           xFract="0.28332713"
                           y3="1.48059"
                           yFract="0.28640342"
                           z3="8.73519"
                           zFract="0.34882504"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="1.20901"
                           xFract="0.1347936"
                           y3="0.70566"
                           yFract="0.13650196"
                           z3="6.19509"
                           zFract="0.24937199"/>
                     <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="4.0224"
                           xFract="0.28397206"
                           y3="4.05482"
                           yFract="0.78435916"
                           z3="9.10954"
                           zFract="0.35669667"/>
                     <atom elementType="H"
                           id="a17"
                           x3="8.42905"
                           xFract="0.94094684"
                           y3="4.90747"
                           yFract="0.94929468"
                           z3="10.08552"
                           zFract="0.38435352"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.98673"
                           xFract="0.4487927"
                           y3="2.28221"
                           yFract="0.44146777"
                           z3="9.72106"
                           zFract="0.38436976"/>
                     <atom elementType="H"
                           id="a19"
                           x3="5.49198"
                           xFract="0.44857095"
                           y3="4.90474"
                           yFract="0.9487666"
                           z3="9.91118"
                           zFract="0.38457863"/>
                  </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">-14.94146177</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-14.93793130</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-14.94028494</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-8.5352</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.1156163E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="3.00146"
                        xFract="0.33604563"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.46751"
                        zFract="0.04999987"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="5.67965"
                        xFract="0.63640108"
                        y3="3.28211"
                        yFract="0.63488714"
                        z3="6.55889"
                        zFract="0.24932857"/>
                  <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="5.5424"
                        xFract="0.78661754"
                        y3="1.48424"
                        yFract="0.28710948"
                        z3="8.91887"
                        zFract="0.34881644"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="4.19733"
                        xFract="0.63620992"
                        y3="0.70378"
                        yFract="0.1361383"
                        z3="6.28956"
                        zFract="0.24575804"/>
                  <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="7.0135"
                        xFract="0.78616013"
                        y3="4.04977"
                        yFract="0.7833823"
                        z3="9.10019"
                        zFract="0.34883341"/>
                  <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="2.68652"
                        xFract="0.13462989"
                        y3="3.2793"
                        yFract="0.63434357"
                        z3="6.37631"
                        zFract="0.24935707"/>
                  <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="2.53973"
                        xFract="0.28332713"
                        y3="1.48059"
                        yFract="0.28640342"
                        z3="8.73519"
                        zFract="0.34882504"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="1.20901"
                        xFract="0.1347936"
                        y3="0.70566"
                        yFract="0.13650196"
                        z3="6.19509"
                        zFract="0.24937199"/>
                  <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="4.0224"
                        xFract="0.28397206"
                        y3="4.05482"
                        yFract="0.78435916"
                        z3="9.10954"
                        zFract="0.35669667"/>
                  <atom elementType="H"
                        id="a17"
                        x3="8.42905"
                        xFract="0.94094684"
                        y3="4.90747"
                        yFract="0.94929468"
                        z3="10.08552"
                        zFract="0.38435352"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.98673"
                        xFract="0.4487927"
                        y3="2.28221"
                        yFract="0.44146777"
                        z3="9.72106"
                        zFract="0.38436976"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.49198"
                        xFract="0.44857095"
                        y3="4.90474"
                        yFract="0.9487666"
                        z3="9.91118"
                        zFract="0.38457863"/>
               </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>
