<?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">6.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">05Apr23 (build May 28 2025 12:32:09) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.108954</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
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                        xFract="0.85331355"
                        y3="2.15678496"
                        yFract="0.24771684"
                        z3="20.26735594"
                        zFract="0.63876088"/>
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                        id="a2"
                        x3="3.64259718"
                        xFract="0.51239566"
                        y3="0.77158495"
                        yFract="0.08862014"
                        z3="19.40330037"
                        zFract="0.61152867"/>
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                        id="a3"
                        x3="1.28363503"
                        xFract="0.18056595"
                        y3="2.1966294"
                        yFract="0.25229316"
                        z3="18.45708465"
                        zFract="0.58170704"/>
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                        xFract="0.84851615"
                        y3="0.7742666"
                        yFract="0.08892814"
                        z3="17.49199514"
                        zFract="0.55129057"/>
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                        z3="16.63295342"
                        zFract="0.52421638"/>
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                        xFract="0.17241368"
                        y3="0.73482363"
                        yFract="0.08439793"
                        z3="15.74054117"
                        zFract="0.49609046"/>
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                        x3="5.92412824"
                        xFract="0.83333332"
                        y3="2.17666365"
                        yFract="0.2500"
                        z3="14.80089211"
                        zFract="0.46647579"/>
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                        x3="3.554477"
                        xFract="0.5000"
                        y3="0.72555452"
                        yFract="0.08333333"
                        z3="13.96309403"
                        zFract="0.44007113"/>
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                        id="a9"
                        x3="1.18482576"
                        xFract="0.16666668"
                        y3="2.17666365"
                        yFract="0.2500"
                        z3="13.12529563"
                        zFract="0.41366646"/>
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                        id="a10"
                        x3="5.92412824"
                        xFract="0.83333332"
                        y3="0.72555452"
                        yFract="0.08333333"
                        z3="12.28749754"
                        zFract="0.3872618"/>
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                        x3="3.554477"
                        xFract="0.5000"
                        y3="2.17666365"
                        yFract="0.2500"
                        z3="11.44969914"
                        zFract="0.36085713"/>
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                        x3="1.18482576"
                        xFract="0.16666668"
                        y3="0.72555452"
                        yFract="0.08333333"
                        z3="10.61190105"
                        zFract="0.33445247"/>
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                        id="a13"
                        x3="5.92412824"
                        xFract="0.83333332"
                        y3="2.17666365"
                        yFract="0.2500"
                        z3="9.77410265"
                        zFract="0.3080478"/>
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                        id="a14"
                        x3="3.554477"
                        xFract="0.5000"
                        y3="0.72555452"
                        yFract="0.08333333"
                        z3="8.93630456"
                        zFract="0.28164314"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="1.18482576"
                        xFract="0.16666668"
                        y3="2.17666365"
                        yFract="0.2500"
                        z3="8.09850616"
                        zFract="0.25523847"/>
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                        xFract="0.87396029"
                        y3="5.16702982"
                        yFract="0.59345754"
                        z3="20.23859947"
                        zFract="0.63785457"/>
                  <atom elementType="Ag"
                        id="a17"
                        x3="3.37186816"
                        xFract="0.47431284"
                        y3="3.71440086"
                        yFract="0.42661631"
                        z3="20.14679237"
                        zFract="0.63496111"/>
                  <atom elementType="Ag"
                        id="a18"
                        x3="1.31003228"
                        xFract="0.18427919"
                        y3="5.09502439"
                        yFract="0.58518738"
                        z3="18.37736763"
                        zFract="0.57919462"/>
                  <atom elementType="Ag"
                        id="a19"
                        x3="5.95813349"
                        xFract="0.83811676"
                        y3="3.62251744"
                        yFract="0.41606307"
                        z3="17.57843969"
                        zFract="0.55401502"/>
                  <atom elementType="Ag"
                        id="a20"
                        x3="3.61548867"
                        xFract="0.50858237"
                        y3="5.06730275"
                        yFract="0.58200342"
                        z3="16.6156864"
                        zFract="0.52367218"/>
                  <atom elementType="Ag"
                        id="a21"
                        x3="1.19463981"
                        xFract="0.1680472"
                        y3="3.63161564"
                        yFract="0.41710804"
                        z3="15.78915344"
                        zFract="0.49762256"/>
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                        id="a22"
                        x3="5.92412824"
                        xFract="0.83333332"
                        y3="5.07888182"
                        yFract="0.58333333"
                        z3="14.80089211"
                        zFract="0.46647579"/>
                  <atom elementType="Ag"
                        id="a23"
                        x3="3.554477"
                        xFract="0.5000"
                        y3="3.62777278"
                        yFract="0.41666667"
                        z3="13.96309403"
                        zFract="0.44007113"/>
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                        id="a24"
                        x3="1.18482576"
                        xFract="0.16666668"
                        y3="5.07888182"
                        yFract="0.58333333"
                        z3="13.12529563"
                        zFract="0.41366646"/>
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                        id="a25"
                        x3="5.92412824"
                        xFract="0.83333332"
                        y3="3.62777278"
                        yFract="0.41666667"
                        z3="12.28749754"
                        zFract="0.3872618"/>
                  <atom elementType="Ag"
                        id="a26"
                        x3="3.554477"
                        xFract="0.5000"
                        y3="5.07888182"
                        yFract="0.58333333"
                        z3="11.44969914"
                        zFract="0.36085713"/>
                  <atom elementType="Ag"
                        id="a27"
                        x3="1.18482576"
                        xFract="0.16666668"
                        y3="3.62777278"
                        yFract="0.41666667"
                        z3="10.61190105"
                        zFract="0.33445247"/>
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                        id="a28"
                        x3="5.92412824"
                        xFract="0.83333332"
                        y3="5.07888182"
                        yFract="0.58333333"
                        z3="9.77410265"
                        zFract="0.3080478"/>
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                        id="a29"
                        x3="3.554477"
                        xFract="0.5000"
                        y3="3.62777278"
                        yFract="0.41666667"
                        z3="8.93630456"
                        zFract="0.28164314"/>
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                        xFract="0.16666668"
                        y3="5.07888182"
                        yFract="0.58333333"
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                        zFract="0.25523847"/>
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                        y3="8.01770068"
                        yFract="0.92087042"
                        z3="20.00883011"
                        zFract="0.63061299"/>
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                        id="a32"
                        x3="3.70423359"
                        xFract="0.52106591"
                        y3="6.51708734"
                        yFract="0.74851796"
                        z3="19.22305073"
                        zFract="0.60584779"/>
                  <atom elementType="Ag"
                        id="a33"
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                        xFract="0.18778708"
                        y3="7.99143845"
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                        z3="18.36409563"
                        zFract="0.57877633"/>
                  <atom elementType="Ag"
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                        xFract="0.8495516"
                        y3="6.54852533"
                        yFract="0.75212876"
                        z3="17.42198281"
                        zFract="0.54908401"/>
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                        xFract="0.51197289"
                        y3="8.00339451"
                        yFract="0.91922729"
                        z3="16.66837682"
                        zFract="0.52533281"/>
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                        xFract="0.17553066"
                        y3="6.52651769"
                        yFract="0.74960108"
                        z3="15.72129965"
                        zFract="0.49548403"/>
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                        xFract="0.83333332"
                        y3="7.98110008"
                        yFract="0.91666667"
                        z3="14.80089211"
                        zFract="0.46647579"/>
                  <atom elementType="Ag"
                        id="a38"
                        x3="3.554477"
                        xFract="0.5000"
                        y3="6.52999095"
                        yFract="0.7500"
                        z3="13.96309403"
                        zFract="0.44007113"/>
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                  <bond atomRefs2="a1 a48" order="S"/>
                  <bond atomRefs2="a1 a16" order="S"/>
                  <bond atomRefs2="a2 a48" order="S"/>
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                  <bond atomRefs2="a3 a18" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a5 a20" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
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                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a27" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
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                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
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                  <bond atomRefs2="a11 a14" order="S"/>
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                  <bond atomRefs2="a11 a27" order="S"/>
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                  <bond atomRefs2="a13 a14" order="S"/>
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                  <bond atomRefs2="a15 a30" order="S"/>
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                  <bond atomRefs2="a24 a27" order="S"/>
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                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
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                  <bond atomRefs2="a27 a42" order="S"/>
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                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
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               <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">45 4</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="13">1 2 3 4 5 6 7 8 9 10 11 12 13</array>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
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                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a28 a43" order="S"/>
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                     <bond atomRefs2="a31 a32" order="S"/>
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                     <bond atomRefs2="a32 a33" order="S"/>
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                     <bond atomRefs2="a34 a37" order="S"/>
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                     <bond atomRefs2="a36 a38" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           yFract="0.08333281"
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                     <atom elementType="Ag"
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                           y3="6.52999"
                           yFract="0.74999989"
                           z3="13.96309"
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                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
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                     <bond atomRefs2="a26 a44" order="S"/>
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                     <bond atomRefs2="a26 a29" order="S"/>
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                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
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                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
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                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a44" order="S"/>
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                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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                  <property dictRef="cml:molmass">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           yFract="0.24841573"
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                           zFract="0.63305995"/>
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                           zFract="0.61433964"/>
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                           y3="2.22623"
                           yFract="0.25569293"
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                           yFract="0.08718504"
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                           zFract="0.5502617"/>
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                           y3="0.73592"
                           yFract="0.08452385"
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                           zFract="0.49597192"/>
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                           yFract="0.24999958"
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                           zFract="0.46647572"/>
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.440071"/>
                     <atom elementType="Ag"
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                           xFract="0.16666728"
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                           yFract="0.24999958"
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                           zFract="0.4136666"/>
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                           yFract="0.08333281"
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                           zFract="0.38726188"/>
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                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           xFract="0.16666728"
                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.33445244"/>
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                           yFract="0.24999958"
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                           yFract="0.24999958"
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                           y3="5.09598"
                           yFract="0.58529714"
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                           xFract="0.50169406"
                           y3="3.67838"
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                           yFract="0.58857739"
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                           y3="3.63642"
                           yFract="0.41765984"
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                           zFract="0.55228634"/>
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                           y3="5.06923"
                           yFract="0.58222477"
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                           yFract="0.41747722"
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                           yFract="0.58333312"
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                           yFract="0.41666635"
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                           yFract="0.74999989"
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                           yFract="0.91666666"
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                           xFract="0.83333357"
                           y3="6.52999"
                           yFract="0.74999989"
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                     <bond atomRefs2="a26 a44" order="S"/>
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                     <bond atomRefs2="a26 a29" order="S"/>
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                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
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                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
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                     <bond atomRefs2="a41 a43" order="S"/>
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                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16718"
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                           y3="2.22397"
                           yFract="0.25543336"
                           z3="18.43687"
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                           xFract="0.84957646"
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                           yFract="0.08702194"
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                           yFract="0.08442852"
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                           yFract="0.24999958"
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                           zFract="0.46647572"/>
                     <atom elementType="Ag"
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                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.440071"/>
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                           yFract="0.24999958"
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                           zFract="0.4136666"/>
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                           yFract="0.08333281"
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                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           yFract="0.08333281"
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                           zFract="0.33445244"/>
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                           xFract="0.85700794"
                           y3="5.08721"
                           yFract="0.58428986"
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                           xFract="0.50596473"
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                           y3="5.13151"
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                           xFract="0.84118423"
                           y3="3.63886"
                           yFract="0.41794009"
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                           y3="5.06675"
                           yFract="0.58193993"
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                           yFract="0.74999989"
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                           xFract="0.16666728"
                           y3="6.52999"
                           yFract="0.74999989"
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                           xFract="0.83333357"
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                     <bond atomRefs2="a28 a43" order="S"/>
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                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
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                     <bond atomRefs2="a31 a32" order="S"/>
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                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
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                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16888"
                           yFract="0.24910601"
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                           yFract="0.25533113"
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                           yFract="0.08695648"
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                           y3="2.18491"
                           yFract="0.25094713"
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                           zFract="0.52510095"/>
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                           yFract="0.24999958"
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                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.440071"/>
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                           xFract="0.16666728"
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                           yFract="0.24999958"
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                           y3="0.72555"
                           yFract="0.08333281"
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                           xFract="0.50000042"
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                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           y3="0.72555"
                           yFract="0.08333281"
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                           yFract="0.24999958"
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                           xFract="0.85651701"
                           y3="5.08375"
                           yFract="0.58389246"
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                           xFract="0.50765134"
                           y3="3.66042"
                           yFract="0.42041636"
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                           xFract="0.17508764"
                           y3="5.13427"
                           yFract="0.58969492"
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                           y3="3.63982"
                           yFract="0.41805035"
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                           y3="5.06577"
                           yFract="0.58182738"
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                           zFract="0.5260433"/>
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                           z3="15.78747"
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                           xFract="0.16666728"
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                           xFract="0.83333357"
                           y3="7.9811"
                           yFract="0.91666666"
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                           zFract="0.30804772"/>
                     <atom elementType="Ag"
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                     <bond atomRefs2="a31 a32" order="S"/>
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                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
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                     <bond atomRefs2="a34 a35" order="S"/>
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                     <bond atomRefs2="a35 a37" order="S"/>
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                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
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                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16873"
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                           yFract="0.08170762"
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                           y3="2.21525"
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                     <atom elementType="Ag"
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                           yFract="0.08714713"
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                           zFract="0.55031591"/>
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                           y3="2.18452"
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                           xFract="0.17460515"
                           y3="0.73705"
                           yFract="0.08465364"
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                           zFract="0.49604378"/>
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                           y3="2.17666"
                           yFract="0.24999958"
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                           y3="0.72555"
                           yFract="0.08333281"
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                     <atom elementType="Ag"
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                           xFract="0.16666728"
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                           yFract="0.24999958"
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                           zFract="0.4136666"/>
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                           y3="0.72555"
                           yFract="0.08333281"
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                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.33445244"/>
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                           yFract="0.24999958"
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                           yFract="0.24999958"
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                           zFract="0.25523859"/>
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                           xFract="0.85445201"
                           y3="5.08654"
                           yFract="0.58421291"
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                           zFract="0.63891134"/>
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                           xFract="0.50979652"
                           y3="3.66027"
                           yFract="0.42039913"
                           z3="19.56095"
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                           xFract="0.17386946"
                           y3="5.13531"
                           yFract="0.58981437"
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                           y3="3.63607"
                           yFract="0.41761964"
                           z3="17.52665"
                           zFract="0.55238278"/>
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                           y3="5.06671"
                           yFract="0.58193534"
                           z3="16.69012"
                           zFract="0.52601808"/>
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                           y3="3.63897"
                           yFract="0.41795272"
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                           y3="3.62777"
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                           yFract="0.58333312"
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                           yFract="0.41666635"
                           z3="10.6119"
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                           xFract="0.83333357"
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                           yFract="0.58333312"
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                           y3="7.9960"
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                           yFract="0.91962647"
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                           xFract="0.17433366"
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                           yFract="0.75039269"
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                           xFract="0.16666728"
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                           xFract="0.83333357"
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                           yFract="0.91666666"
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                           zFract="0.30804772"/>
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                           y3="6.52999"
                           yFract="0.74999989"
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                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="8.09851"
                           zFract="0.25523859"/>
                     <atom elementType="H"
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                     <bond atomRefs2="a44 a45" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16861"
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                           y3="2.20853"
                           yFract="0.25366"
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                           zFract="0.52498717"/>
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                           yFract="0.24999958"
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                           yFract="0.08333281"
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                           xFract="0.16666728"
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                           yFract="0.24999958"
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                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.38726188"/>
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                           xFract="0.50000042"
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                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           yFract="0.08333281"
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                           zFract="0.33445244"/>
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                           xFract="0.85268381"
                           y3="5.08894"
                           yFract="0.58448856"
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                           xFract="0.51163505"
                           y3="3.66014"
                           yFract="0.4203842"
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                           yFract="0.58991774"
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                           y3="3.63285"
                           yFract="0.41724981"
                           z3="17.52698"
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                           xFract="0.50571716"
                           y3="5.06751"
                           yFract="0.58202722"
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                           zFract="0.52599665"/>
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                           y3="3.64106"
                           yFract="0.41819277"
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                           zFract="0.49740688"/>
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                           yFract="0.58333312"
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                           yFract="0.41666635"
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                           y3="6.52541"
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                           yFract="0.91942892"
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                           y3="6.52999"
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                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.1015719"
                           y3="5.25567"
                           yFract="0.60363828"
                           z3="20.2749"
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                           xFract="0.60438287"
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                           yFract="0.5890414"
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                           xFract="0.73109912"
                           y3="0.73352"
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                     <bond atomRefs2="a44 a45" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16587"
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                           yFract="0.0872574"
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                           yFract="0.24999958"
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                           yFract="0.08333281"
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                           zFract="0.4136666"/>
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                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           yFract="0.08333281"
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                           zFract="0.33445244"/>
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                           yFract="0.08333281"
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                           yFract="0.24999958"
                           z3="8.09851"
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                           xFract="0.85357987"
                           y3="5.09597"
                           yFract="0.58529599"
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                           zFract="0.63933619"/>
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                           y3="3.65624"
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                           yFract="0.58983734"
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                           zFract="0.58185029"/>
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                           y3="3.62989"
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                           zFract="0.55225387"/>
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                           y3="5.06895"
                           yFract="0.58219261"
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                           y3="3.64202"
                           yFract="0.41830303"
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                           y3="3.62777"
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                           zFract="0.281643"/>
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                           xFract="0.85458986"
                           y3="7.99472"
                           yFract="0.91823098"
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                           xFract="0.51380414"
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                           yFract="0.75009292"
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                           xFract="0.84381472"
                           y3="6.56988"
                           yFract="0.75458144"
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                           zFract="0.54992605"/>
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                           xFract="0.50991046"
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                           yFract="0.91913144"
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                           z3="8.09851"
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                           xFract="0.10032981"
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                           yFract="0.58735763"
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                           y3="0.7297"
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                     <bond atomRefs2="a9 a12" order="S"/>
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                     <bond atomRefs2="a9 a24" order="S"/>
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                     <bond atomRefs2="a10 a13" order="S"/>
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                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a29" order="S"/>
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                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a23" order="S"/>
                     <bond atomRefs2="a11 a26" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a25" order="S"/>
                     <bond atomRefs2="a13 a28" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a29" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a27" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a30" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
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                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a18 a46" order="S"/>
                     <bond atomRefs2="a18 a33" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a32" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a37" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a25" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
                     <bond atomRefs2="a24 a36" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a26" order="S"/>
                     <bond atomRefs2="a24 a27" order="S"/>
                     <bond atomRefs2="a25 a40" order="S"/>
                     <bond atomRefs2="a25 a28" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a40" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a38" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a43" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a44" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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                  <formula concise="H4Ag45">
                     <atomArray count="4 45" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4854.068999999997</scalar>
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               <molecule id="calculation.position.22">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           xFract="0.86235049"
                           y3="2.16355"
                           yFract="0.24849384"
                           z3="20.08471"
                           zFract="0.63300448"/>
                     <atom elementType="Ag"
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                           x3="3.61903"
                           xFract="0.50908052"
                           y3="0.72674"
                           yFract="0.08346949"
                           z3="19.55935"
                           zFract="0.61644684"/>
                     <atom elementType="Ag"
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                           x3="1.33989"
                           xFract="0.18847921"
                           y3="2.20201"
                           yFract="0.25291115"
                           z3="18.41552"
                           zFract="0.58039706"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="6.04334"
                           xFract="0.85010256"
                           y3="0.75934"
                           yFract="0.08721375"
                           z3="17.45683"
                           zFract="0.55018228"/>
                     <atom elementType="Ag"
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                           xFract="0.51187277"
                           y3="2.18452"
                           yFract="0.25090234"
                           z3="16.64559"
                           zFract="0.52461464"/>
                     <atom elementType="Ag"
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                           x3="1.24008"
                           xFract="0.17443917"
                           y3="0.74258"
                           yFract="0.08528879"
                           z3="15.73064"
                           zFract="0.49577841"/>
                     <atom elementType="Ag"
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                           x3="5.92413"
                           xFract="0.83333357"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="14.80089"
                           zFract="0.46647572"/>
                     <atom elementType="Ag"
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
                     <atom elementType="Ag"
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           xFract="0.83333357"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="12.2875"
                           zFract="0.38726188"/>
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                           x3="3.55448"
                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="11.4497"
                           zFract="0.36085716"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           xFract="0.83333357"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="9.7741"
                           zFract="0.30804772"/>
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                           x3="3.55448"
                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85434228"
                           y3="5.10195"
                           yFract="0.58598282"
                           z3="20.28989"
                           zFract="0.63947108"/>
                     <atom elementType="Ag"
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                           x3="3.6451"
                           xFract="0.51274773"
                           y3="3.65292"
                           yFract="0.41955495"
                           z3="19.46464"
                           zFract="0.61346189"/>
                     <atom elementType="Ag"
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                           x3="1.22416"
                           xFract="0.17219974"
                           y3="5.13492"
                           yFract="0.58976958"
                           z3="18.4684"
                           zFract="0.58206366"/>
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                           x3="5.99402"
                           xFract="0.84316483"
                           y3="3.62738"
                           yFract="0.41662156"
                           z3="17.5188"
                           zFract="0.55213537"/>
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                           x3="3.58764"
                           xFract="0.50466496"
                           y3="5.07016"
                           yFract="0.58233159"
                           z3="16.68112"
                           zFract="0.52573443"/>
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                           x3="1.21754"
                           xFract="0.17126852"
                           y3="3.64283"
                           yFract="0.41839606"
                           z3="15.78351"
                           zFract="0.4974447"/>
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                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="14.80089"
                           zFract="0.46647572"/>
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                           x3="3.55448"
                           xFract="0.50000042"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           xFract="0.16666728"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           x3="5.92413"
                           xFract="0.83333357"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="12.2875"
                           zFract="0.38726188"/>
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                           id="a26"
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                           xFract="0.50000042"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="11.4497"
                           zFract="0.36085716"/>
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                           xFract="0.16666728"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           id="a28"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="9.7741"
                           zFract="0.30804772"/>
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                           id="a29"
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                           xFract="0.50000042"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85441402"
                           y3="7.9955"
                           yFract="0.91832057"
                           z3="20.05329"
                           zFract="0.63201422"/>
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                           xFract="0.51407"
                           y3="6.53538"
                           yFract="0.75061896"
                           z3="19.33999"
                           zFract="0.60953333"/>
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                           id="a33"
                           x3="1.32579"
                           xFract="0.18649579"
                           y3="8.01078"
                           yFract="0.92007555"
                           z3="18.39289"
                           zFract="0.57968383"/>
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                           id="a34"
                           x3="5.99695"
                           xFract="0.84357699"
                           y3="6.57171"
                           yFract="0.75479163"
                           z3="17.44847"
                           zFract="0.5499188"/>
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                           id="a35"
                           x3="3.62367"
                           xFract="0.50973322"
                           y3="8.00035"
                           yFract="0.91887761"
                           z3="16.70162"
                           zFract="0.52638053"/>
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                           x3="1.2414"
                           xFract="0.17462485"
                           y3="6.52462"
                           yFract="0.74938312"
                           z3="15.74825"
                           zFract="0.49633342"/>
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                           id="a37"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="14.80089"
                           zFract="0.46647572"/>
                     <atom elementType="Ag"
                           id="a38"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="13.96309"
                           zFract="0.440071"/>
                     <atom elementType="Ag"
                           id="a39"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           id="a40"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="12.2875"
                           zFract="0.38726188"/>
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                           id="a41"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="11.4497"
                           zFract="0.36085716"/>
                     <atom elementType="Ag"
                           id="a42"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           id="a43"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="9.7741"
                           zFract="0.30804772"/>
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                           id="a44"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           id="a45"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.09927199"
                           y3="5.24531"
                           yFract="0.60244838"
                           z3="20.28086"
                           zFract="0.63918648"/>
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                           x3="4.28418"
                           xFract="0.60264562"
                           y3="5.10145"
                           yFract="0.58592539"
                           z3="20.68454"
                           zFract="0.65190916"/>
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                           id="a48"
                           x3="5.19956"
                           xFract="0.73140999"
                           y3="0.72645"
                           yFract="0.08343618"
                           z3="20.95123"
                           zFract="0.66031436"/>
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                           x3="2.47633"
                           xFract="0.34833957"
                           y3="2.19232"
                           yFract="0.25179821"
                           z3="20.0175"
                           zFract="0.63088624"/>
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                     <bond atomRefs2="a3 a5" order="S"/>
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                     <bond atomRefs2="a4 a5" order="S"/>
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                     <bond atomRefs2="a11 a14" order="S"/>
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                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a23" order="S"/>
                     <bond atomRefs2="a11 a26" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a25" order="S"/>
                     <bond atomRefs2="a13 a28" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
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                     <bond atomRefs2="a14 a15" order="S"/>
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                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a30" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
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                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a37" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a25" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
                     <bond atomRefs2="a24 a36" order="S"/>
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                     <bond atomRefs2="a24 a42" order="S"/>
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                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
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                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
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                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
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                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
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                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
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                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
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                     <bond atomRefs2="a40 a43" order="S"/>
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                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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               <molecule id="calculation.position.23">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           xFract="0.8630257"
                           y3="2.16238"
                           yFract="0.24835946"
                           z3="20.09433"
                           zFract="0.63330767"/>
                     <atom elementType="Ag"
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                           xFract="0.51019742"
                           y3="0.72568"
                           yFract="0.08334774"
                           z3="19.5564"
                           zFract="0.61635387"/>
                     <atom elementType="Ag"
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                           x3="1.33285"
                           xFract="0.1874889"
                           y3="2.19954"
                           yFract="0.25262746"
                           z3="18.41265"
                           zFract="0.58030661"/>
                     <atom elementType="Ag"
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                           xFract="0.84988171"
                           y3="0.75635"
                           yFract="0.08687033"
                           z3="17.45786"
                           zFract="0.55021474"/>
                     <atom elementType="Ag"
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                           xFract="0.51158018"
                           y3="2.18469"
                           yFract="0.25092186"
                           z3="16.63524"
                           zFract="0.52428845"/>
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                           xFract="0.17408046"
                           y3="0.74235"
                           yFract="0.08526237"
                           z3="15.72608"
                           zFract="0.49563469"/>
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                           xFract="0.83333357"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="14.80089"
                           zFract="0.46647572"/>
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.4136666"/>
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                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.38726188"/>
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                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           xFract="0.16666728"
                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.33445244"/>
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                           yFract="0.24999958"
                           z3="9.7741"
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                           y3="0.72555"
                           yFract="0.08333281"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85273867"
                           y3="5.10314"
                           yFract="0.5861195"
                           z3="20.29307"
                           zFract="0.6395713"/>
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                           xFract="0.51358611"
                           y3="3.65157"
                           yFract="0.41939989"
                           z3="19.43431"
                           zFract="0.61250599"/>
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                           xFract="0.1727188"
                           y3="5.13277"
                           yFract="0.58952264"
                           z3="18.46939"
                           zFract="0.58209486"/>
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                           xFract="0.84338005"
                           y3="3.62719"
                           yFract="0.41659974"
                           z3="17.51284"
                           zFract="0.55194753"/>
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                           xFract="0.50450319"
                           y3="5.07113"
                           yFract="0.582443"
                           z3="16.67588"
                           zFract="0.52556929"/>
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                           y3="3.64184"
                           yFract="0.41828236"
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                           y3="5.07888"
                           yFract="0.58333312"
                           z3="14.80089"
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                           y3="3.62777"
                           yFract="0.41666635"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           yFract="0.58333312"
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                           y3="3.62777"
                           yFract="0.41666635"
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                           xFract="0.50000042"
                           y3="5.07888"
                           yFract="0.58333312"
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                           zFract="0.36085716"/>
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                           xFract="0.16666728"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="9.7741"
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                           xFract="0.50000042"
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                           yFract="0.41666635"
                           z3="8.9363"
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                           xFract="0.16666728"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85461377"
                           y3="7.9992"
                           yFract="0.91874553"
                           z3="20.05246"
                           zFract="0.63198806"/>
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                           xFract="0.51455953"
                           y3="6.54122"
                           yFract="0.75128971"
                           z3="19.33774"
                           zFract="0.60946242"/>
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                           xFract="0.18713442"
                           y3="8.00511"
                           yFract="0.91942432"
                           z3="18.39539"
                           zFract="0.57976263"/>
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                           xFract="0.84367967"
                           y3="6.57187"
                           yFract="0.75481"
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                           zFract="0.54989453"/>
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                           y3="8.00095"
                           yFract="0.91894653"
                           z3="16.6977"
                           zFract="0.52625698"/>
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                           xFract="0.17386243"
                           y3="6.52617"
                           yFract="0.74956115"
                           z3="15.75086"
                           zFract="0.49641568"/>
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                           yFract="0.91666666"
                           z3="14.80089"
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                           xFract="0.50000042"
                           y3="6.52999"
                           yFract="0.74999989"
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                           zFract="0.440071"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="13.1253"
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                           xFract="0.83333357"
                           y3="6.52999"
                           yFract="0.74999989"
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                           zFract="0.38726188"/>
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                           xFract="0.50000042"
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                           yFract="0.91666666"
                           z3="11.4497"
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                           id="a42"
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                           xFract="0.16666728"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           xFract="0.83333357"
                           y3="7.9811"
                           yFract="0.91666666"
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                           zFract="0.30804772"/>
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                           xFract="0.50000042"
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                           yFract="0.74999989"
                           z3="8.9363"
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                           x3="1.18483"
                           xFract="0.16666728"
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                           yFract="0.91666666"
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                           zFract="0.25523859"/>
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                           xFract="0.09972916"
                           y3="5.24182"
                           yFract="0.60204754"
                           z3="20.2911"
                           zFract="0.63950922"/>
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                           xFract="0.60224472"
                           y3="5.08292"
                           yFract="0.58379713"
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                           zFract="0.65102291"/>
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                           xFract="0.73091766"
                           y3="0.71942"
                           yFract="0.08262875"
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                           zFract="0.66061912"/>
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                           xFract="0.34915967"
                           y3="2.20328"
                           yFract="0.25305701"
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                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a29" order="S"/>
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                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a23" order="S"/>
                     <bond atomRefs2="a11 a26" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
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                     <bond atomRefs2="a13 a25" order="S"/>
                     <bond atomRefs2="a13 a28" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a29" order="S"/>
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                     <bond atomRefs2="a14 a15" order="S"/>
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                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a30" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
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                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a18 a46" order="S"/>
                     <bond atomRefs2="a18 a33" order="S"/>
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                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a37" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a25" order="S"/>
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                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
                     <bond atomRefs2="a24 a36" order="S"/>
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                     <bond atomRefs2="a24 a42" order="S"/>
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                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
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                     <bond atomRefs2="a26 a29" order="S"/>
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                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
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                     <bond atomRefs2="a28 a29" order="S"/>
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                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
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                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
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                     <bond atomRefs2="a32 a33" order="S"/>
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                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
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                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
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                     <bond atomRefs2="a40 a43" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
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                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.24">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           xFract="0.86316215"
                           y3="2.16214"
                           yFract="0.24833189"
                           z3="20.09627"
                           zFract="0.63336881"/>
                     <atom elementType="Ag"
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                           xFract="0.51042249"
                           y3="0.72546"
                           yFract="0.08332247"
                           z3="19.5558"
                           zFract="0.61633496"/>
                     <atom elementType="Ag"
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                           x3="1.33143"
                           xFract="0.18728916"
                           y3="2.19905"
                           yFract="0.25257118"
                           z3="18.41208"
                           zFract="0.58028864"/>
                     <atom elementType="Ag"
                           id="a4"
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                           xFract="0.8498367"
                           y3="0.75575"
                           yFract="0.08680142"
                           z3="17.45806"
                           zFract="0.55022105"/>
                     <atom elementType="Ag"
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                           xFract="0.5115211"
                           y3="2.18472"
                           yFract="0.25092531"
                           z3="16.63315"
                           zFract="0.52422258"/>
                     <atom elementType="Ag"
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                           xFract="0.17400872"
                           y3="0.7423"
                           yFract="0.08525663"
                           z3="15.72515"
                           zFract="0.49560538"/>
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                           xFract="0.83333357"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="14.80089"
                           zFract="0.46647572"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           xFract="0.83333357"
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                           yFract="0.08333281"
                           z3="12.2875"
                           zFract="0.38726188"/>
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                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="11.4497"
                           zFract="0.36085716"/>
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                           yFract="0.08333281"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           xFract="0.83333357"
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                           yFract="0.24999958"
                           z3="9.7741"
                           zFract="0.30804772"/>
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                           xFract="0.50000042"
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                           yFract="0.08333281"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85241514"
                           y3="5.10339"
                           yFract="0.58614821"
                           z3="20.29371"
                           zFract="0.63959147"/>
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                           x3="3.65226"
                           xFract="0.51375491"
                           y3="3.65129"
                           yFract="0.41936773"
                           z3="19.42819"
                           zFract="0.61231311"/>
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                           xFract="0.17282289"
                           y3="5.13234"
                           yFract="0.58947325"
                           z3="18.46959"
                           zFract="0.58210117"/>
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                           xFract="0.84342366"
                           y3="3.62715"
                           yFract="0.41659514"
                           z3="17.51163"
                           zFract="0.5519094"/>
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                           x3="3.58626"
                           xFract="0.50447084"
                           y3="5.07133"
                           yFract="0.58246597"
                           z3="16.67482"
                           zFract="0.52553588"/>
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                           xFract="0.17062707"
                           y3="3.64165"
                           yFract="0.41826053"
                           z3="15.78494"
                           zFract="0.49748977"/>
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                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
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                           zFract="0.46647572"/>
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                           y3="3.62777"
                           yFract="0.41666635"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           xFract="0.16666728"
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                           yFract="0.58333312"
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                           zFract="0.4136666"/>
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                           xFract="0.83333357"
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                           yFract="0.41666635"
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                           xFract="0.16666728"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="9.7741"
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                           xFract="0.50000042"
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                           yFract="0.41666635"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           xFract="0.16666728"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85465316"
                           y3="7.99995"
                           yFract="0.91883167"
                           z3="20.05229"
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                           xFract="0.5146594"
                           y3="6.5424"
                           yFract="0.75142524"
                           z3="19.33728"
                           zFract="0.60944792"/>
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                           xFract="0.18726384"
                           y3="8.00396"
                           yFract="0.91929224"
                           z3="18.3959"
                           zFract="0.5797787"/>
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                           xFract="0.84370078"
                           y3="6.5719"
                           yFract="0.75481345"
                           z3="17.44754"
                           zFract="0.54988949"/>
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                           xFract="0.50994563"
                           y3="8.00107"
                           yFract="0.91896031"
                           z3="16.69691"
                           zFract="0.52623208"/>
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                           xFract="0.17370769"
                           y3="6.52648"
                           yFract="0.74959675"
                           z3="15.75139"
                           zFract="0.49643238"/>
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                           y3="7.9811"
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                           y3="6.52999"
                           yFract="0.74999989"
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                           xFract="0.16666728"
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                           yFract="0.91666666"
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                           yFract="0.74999989"
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                           y3="7.9811"
                           yFract="0.91666666"
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                           yFract="0.74999989"
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                           zFract="0.30804772"/>
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                           xFract="0.50000042"
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                           yFract="0.74999989"
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                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.09982059"
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                           yFract="0.601966"
                           z3="20.29317"
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                           xFract="0.60216313"
                           y3="5.07918"
                           yFract="0.58336758"
                           z3="20.65075"
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                           y3="0.71801"
                           yFract="0.08246681"
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                           zFract="0.66068058"/>
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                           y3="2.20549"
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                     <bond atomRefs2="a3 a5" order="S"/>
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                     <bond atomRefs2="a4 a7" order="S"/>
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                     <bond atomRefs2="a10 a13" order="S"/>
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                     <bond atomRefs2="a11 a12" order="S"/>
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                     <bond atomRefs2="a11 a26" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
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                     <bond atomRefs2="a13 a25" order="S"/>
                     <bond atomRefs2="a13 a28" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a29" order="S"/>
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                     <bond atomRefs2="a14 a15" order="S"/>
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                     <bond atomRefs2="a15 a30" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
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                     <bond atomRefs2="a17 a18" order="S"/>
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                     <bond atomRefs2="a18 a46" order="S"/>
                     <bond atomRefs2="a18 a33" order="S"/>
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                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a37" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
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                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
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                     <bond atomRefs2="a24 a42" order="S"/>
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                     <bond atomRefs2="a26 a44" order="S"/>
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                     <bond atomRefs2="a26 a29" order="S"/>
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                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
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                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
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                     <bond atomRefs2="a44 a45" order="S"/>
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               <molecule id="calculation.position.25">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.1647"
                           yFract="0.24862592"
                           z3="20.10399"
                           zFract="0.63361212"/>
                     <atom elementType="Ag"
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                           y3="0.72619"
                           yFract="0.08340632"
                           z3="19.54905"
                           zFract="0.61612222"/>
                     <atom elementType="Ag"
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                           xFract="0.18747624"
                           y3="2.19719"
                           yFract="0.25235755"
                           z3="18.41442"
                           zFract="0.58036239"/>
                     <atom elementType="Ag"
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                           xFract="0.84967352"
                           y3="0.75468"
                           yFract="0.08667853"
                           z3="17.4620"
                           zFract="0.55034522"/>
                     <atom elementType="Ag"
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                           xFract="0.51131714"
                           y3="2.18404"
                           yFract="0.25084721"
                           z3="16.63025"
                           zFract="0.52413118"/>
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                           xFract="0.17384977"
                           y3="0.73857"
                           yFract="0.08482822"
                           z3="15.72552"
                           zFract="0.49561704"/>
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                           y3="2.17666"
                           yFract="0.24999958"
                           z3="14.80089"
                           zFract="0.46647572"/>
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.38726188"/>
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                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           yFract="0.08333281"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           yFract="0.24999958"
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                           y3="0.72555"
                           yFract="0.08333281"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85322679"
                           y3="5.09746"
                           yFract="0.58546712"
                           z3="20.2876"
                           zFract="0.63939891"/>
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                           xFract="0.51412627"
                           y3="3.64688"
                           yFract="0.41886122"
                           z3="19.41577"
                           zFract="0.61192167"/>
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                           y3="5.13076"
                           yFract="0.58929178"
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                           zFract="0.5821018"/>
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                           xFract="0.84305089"
                           y3="3.62833"
                           yFract="0.41673067"
                           z3="17.50979"
                           zFract="0.55185141"/>
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                           xFract="0.50480844"
                           y3="5.0728"
                           yFract="0.5826348"
                           z3="16.67087"
                           zFract="0.52541139"/>
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                           y3="3.64048"
                           yFract="0.41812615"
                           z3="15.78419"
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                           yFract="0.58333312"
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                           y3="3.62777"
                           yFract="0.41666635"
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                           yFract="0.58333312"
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                           y3="5.07888"
                           yFract="0.58333312"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85547466"
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                           yFract="0.91911996"
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                           xFract="0.5148071"
                           y3="6.54331"
                           yFract="0.75152976"
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                           xFract="0.18681651"
                           y3="8.00262"
                           yFract="0.91913833"
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                           xFract="0.8440848"
                           y3="6.56874"
                           yFract="0.75445051"
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                           yFract="0.91923711"
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                           yFract="0.7500355"
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                           yFract="0.91666666"
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                           yFract="0.91666666"
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                           xFract="0.16666728"
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                           xFract="0.09979105"
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                           yFract="0.60192005"
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                           yFract="0.58238098"
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                           y3="0.71387"
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                           y3="2.21226"
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                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
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                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a29" order="S"/>
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                     <bond atomRefs2="a14 a15" order="S"/>
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                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a30" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
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                     <bond atomRefs2="a17 a18" order="S"/>
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                     <bond atomRefs2="a18 a46" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
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                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a37" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
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                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
                     <bond atomRefs2="a24 a36" order="S"/>
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                     <bond atomRefs2="a24 a42" order="S"/>
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                     <bond atomRefs2="a26 a44" order="S"/>
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                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
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                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
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                     <bond atomRefs2="a44 a45" order="S"/>
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               <molecule id="calculation.position.26">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16592"
                           yFract="0.24876604"
                           z3="20.10769"
                           zFract="0.63372873"/>
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                           yFract="0.08344652"
                           z3="19.5458"
                           zFract="0.61601979"/>
                     <atom elementType="Ag"
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                           xFract="0.18756627"
                           y3="2.19631"
                           yFract="0.25225648"
                           z3="18.41554"
                           zFract="0.58039769"/>
                     <atom elementType="Ag"
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                           xFract="0.84959475"
                           y3="0.75416"
                           yFract="0.0866188"
                           z3="17.46389"
                           zFract="0.55040479"/>
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                           xFract="0.51122008"
                           y3="2.18371"
                           yFract="0.25080931"
                           z3="16.62886"
                           zFract="0.52408737"/>
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                           xFract="0.17377381"
                           y3="0.73677"
                           yFract="0.08462148"
                           z3="15.72569"
                           zFract="0.4956224"/>
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                           y3="2.17666"
                           yFract="0.24999958"
                           z3="14.80089"
                           zFract="0.46647572"/>
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                           id="a8"
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
                     <atom elementType="Ag"
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                           x3="1.18483"
                           xFract="0.16666728"
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                           yFract="0.24999958"
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                           zFract="0.4136666"/>
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                           xFract="0.83333357"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="12.2875"
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                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.36085716"/>
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                           xFract="0.16666728"
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                           yFract="0.08333281"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           z3="9.7741"
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                           yFract="0.08333281"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           xFract="0.16666728"
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                           yFract="0.24999958"
                           z3="8.09851"
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                           xFract="0.85361503"
                           y3="5.09462"
                           yFract="0.58514093"
                           z3="20.28466"
                           zFract="0.63930625"/>
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                           xFract="0.51430492"
                           y3="3.64476"
                           yFract="0.41861773"
                           z3="19.40981"
                           zFract="0.61173383"/>
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                           xFract="0.17326881"
                           y3="5.13001"
                           yFract="0.58920564"
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                           zFract="0.58210211"/>
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                           xFract="0.84287084"
                           y3="3.62889"
                           yFract="0.41679499"
                           z3="17.50891"
                           zFract="0.55182367"/>
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                           xFract="0.50497021"
                           y3="5.07351"
                           yFract="0.58271635"
                           z3="16.66898"
                           zFract="0.52535182"/>
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                           y3="3.63992"
                           yFract="0.41806184"
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                           xFract="0.83333357"
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                           y3="3.62777"
                           yFract="0.41666635"
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                           yFract="0.58333312"
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                           zFract="0.33445244"/>
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                           xFract="0.85586853"
                           y3="8.00367"
                           yFract="0.91925893"
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                           y3="6.54375"
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                           zFract="0.60909935"/>
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                           y3="8.00198"
                           yFract="0.91906483"
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                           zFract="0.57979477"/>
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                           yFract="0.75427593"
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                           y3="8.00464"
                           yFract="0.91937034"
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                           yFract="0.75024568"
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                           zFract="0.49640464"/>
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                           yFract="0.74999989"
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                     <bond atomRefs2="a16 a31" order="S"/>
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                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
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                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
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                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
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                     <bond atomRefs2="a26 a44" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           zFract="0.61581556"/>
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                           z3="18.41778"
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                           yFract="0.08650165"
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                           y3="2.18306"
                           yFract="0.25073465"
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                           zFract="0.52399975"/>
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                           y3="0.73319"
                           yFract="0.0842103"
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                           zFract="0.49563343"/>
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                           yFract="0.24999958"
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                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           yFract="0.08333281"
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                           zFract="0.33445244"/>
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                           z3="8.9363"
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                           yFract="0.24999958"
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                           zFract="0.25523859"/>
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                           y3="5.08894"
                           yFract="0.58448856"
                           z3="20.27879"
                           zFract="0.63912124"/>
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                           y3="3.64052"
                           yFract="0.41813075"
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                           y3="5.1285"
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                           zFract="0.58210274"/>
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                           yFract="0.41692477"
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                           zFract="0.55176789"/>
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                           yFract="0.5828783"
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                           yFract="0.4179332"
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                           yFract="0.58333312"
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                           yFract="0.75168136"
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                     <bond atomRefs2="a18 a33" order="S"/>
                     <bond atomRefs2="a18 a46" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
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                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a37" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a25" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
                     <bond atomRefs2="a24 a36" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a26" order="S"/>
                     <bond atomRefs2="a24 a27" order="S"/>
                     <bond atomRefs2="a25 a40" order="S"/>
                     <bond atomRefs2="a25 a28" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a40" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a38" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
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                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
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                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
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                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
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                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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                  <formula concise="H4Ag45">
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               <molecule id="calculation.position.28">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16655"
                           yFract="0.2488384"
                           z3="20.10959"
                           zFract="0.63378861"/>
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                           xFract="0.51034372"
                           y3="0.72672"
                           yFract="0.08346719"
                           z3="19.54414"
                           zFract="0.61596748"/>
                     <atom elementType="Ag"
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                           xFract="0.18761129"
                           y3="2.19585"
                           yFract="0.25220364"
                           z3="18.41611"
                           zFract="0.58041565"/>
                     <atom elementType="Ag"
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                           xFract="0.84955536"
                           y3="0.7539"
                           yFract="0.08658894"
                           z3="17.46486"
                           zFract="0.55043536"/>
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                           y3="2.18354"
                           yFract="0.25078978"
                           z3="16.62815"
                           zFract="0.52406499"/>
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                           xFract="0.17373442"
                           y3="0.73586"
                           yFract="0.08451696"
                           z3="15.72578"
                           zFract="0.49562524"/>
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                           x3="5.92413"
                           xFract="0.83333357"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="14.80089"
                           zFract="0.46647572"/>
                     <atom elementType="Ag"
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
                     <atom elementType="Ag"
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                           x3="1.18483"
                           xFract="0.16666728"
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                           yFract="0.24999958"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           xFract="0.83333357"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="12.2875"
                           zFract="0.38726188"/>
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                           x3="3.55448"
                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="11.4497"
                           zFract="0.36085716"/>
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                           y3="0.72555"
                           yFract="0.08333281"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           xFract="0.83333357"
                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.30804772"/>
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                           y3="0.72555"
                           yFract="0.08333281"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85381478"
                           y3="5.09317"
                           yFract="0.58497439"
                           z3="20.28316"
                           zFract="0.63925897"/>
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                           x3="3.65682"
                           xFract="0.51439635"
                           y3="3.64367"
                           yFract="0.41849254"
                           z3="19.40675"
                           zFract="0.61163739"/>
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                           xFract="0.17334336"
                           y3="5.12962"
                           yFract="0.58916085"
                           z3="18.46963"
                           zFract="0.58210243"/>
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                           xFract="0.8427794"
                           y3="3.62918"
                           yFract="0.4168283"
                           z3="17.50845"
                           zFract="0.55180917"/>
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                           x3="3.5904"
                           xFract="0.5050532"
                           y3="5.07387"
                           yFract="0.5827577"
                           z3="16.66801"
                           zFract="0.52532125"/>
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                           xFract="0.17022898"
                           y3="3.63963"
                           yFract="0.41802853"
                           z3="15.78365"
                           zFract="0.49744911"/>
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                           zFract="0.46647572"/>
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                           xFract="0.50000042"
                           y3="3.62777"
                           yFract="0.41666635"
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                           zFract="0.440071"/>
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                           yFract="0.58333312"
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                           zFract="0.4136666"/>
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                           xFract="0.16666728"
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                           yFract="0.41666635"
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                           zFract="0.33445244"/>
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                           yFract="0.58333312"
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                           yFract="0.58333312"
                           z3="8.09851"
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                           y3="8.00429"
                           yFract="0.91933014"
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                           zFract="0.63178289"/>
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                           y3="6.54398"
                           yFract="0.75160671"
                           z3="19.32439"
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                           xFract="0.18649298"
                           y3="8.00164"
                           yFract="0.91902578"
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                           xFract="0.84436332"
                           y3="6.56645"
                           yFract="0.75418749"
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                           xFract="0.51016647"
                           y3="8.00523"
                           yFract="0.9194381"
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                           yFract="0.75035364"
                           z3="15.75036"
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                           yFract="0.74999989"
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                           yFract="0.6018856"
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                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a37" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a25" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
                     <bond atomRefs2="a24 a36" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a26" order="S"/>
                     <bond atomRefs2="a24 a27" order="S"/>
                     <bond atomRefs2="a25 a40" order="S"/>
                     <bond atomRefs2="a25 a28" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a40" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a38" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a43" order="S"/>
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                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4854.068999999997</scalar>
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               <molecule id="calculation.position.29">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           yFract="0.24870172"
                           z3="20.11867"
                           zFract="0.63407478"/>
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                           yFract="0.08318005"
                           z3="19.53515"
                           zFract="0.61568414"/>
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                           xFract="0.18707253"
                           y3="2.19396"
                           yFract="0.25198657"
                           z3="18.41718"
                           zFract="0.58044938"/>
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                           xFract="0.84941188"
                           y3="0.75517"
                           yFract="0.08673481"
                           z3="17.46976"
                           zFract="0.55058979"/>
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                           xFract="0.51096828"
                           y3="2.18305"
                           yFract="0.2507335"
                           z3="16.62809"
                           zFract="0.5240631"/>
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                           xFract="0.17338556"
                           y3="0.73557"
                           yFract="0.08448365"
                           z3="15.72939"
                           zFract="0.49573901"/>
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                           x3="5.92413"
                           xFract="0.83333357"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="14.80089"
                           zFract="0.46647572"/>
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                           x3="3.55448"
                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           xFract="0.83333357"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="12.2875"
                           zFract="0.38726188"/>
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                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="11.4497"
                           zFract="0.36085716"/>
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                           xFract="0.16666728"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           xFract="0.83333357"
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                           yFract="0.24999958"
                           z3="9.7741"
                           zFract="0.30804772"/>
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="8.9363"
                           zFract="0.281643"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           x3="6.06733"
                           xFract="0.85347718"
                           y3="5.08724"
                           yFract="0.58429331"
                           z3="20.27423"
                           zFract="0.63897753"/>
                     <atom elementType="Ag"
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                           x3="3.66091"
                           xFract="0.51497168"
                           y3="3.64626"
                           yFract="0.41879001"
                           z3="19.39905"
                           zFract="0.61139471"/>
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                           xFract="0.17375552"
                           y3="5.12714"
                           yFract="0.58887601"
                           z3="18.46956"
                           zFract="0.58210022"/>
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                           x3="5.99198"
                           xFract="0.84287787"
                           y3="3.6270"
                           yFract="0.41657791"
                           z3="17.50795"
                           zFract="0.55179342"/>
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                           x3="3.58943"
                           xFract="0.50491676"
                           y3="5.07664"
                           yFract="0.58307585"
                           z3="16.6622"
                           zFract="0.52513814"/>
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                           xFract="0.17025571"
                           y3="3.6397"
                           yFract="0.41803657"
                           z3="15.78419"
                           zFract="0.49746613"/>
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                           xFract="0.83333357"
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                           yFract="0.58333312"
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                           xFract="0.50000042"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           zFract="0.4136666"/>
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                           yFract="0.41666635"
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                           xFract="0.16666728"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           xFract="0.83333357"
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                           yFract="0.58333312"
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                           zFract="0.281643"/>
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                           xFract="0.16666728"
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                           z3="8.09851"
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                           xFract="0.85646637"
                           y3="8.00641"
                           yFract="0.91957363"
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                           y3="6.54182"
                           yFract="0.75135862"
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                           xFract="0.18630167"
                           y3="8.00162"
                           yFract="0.91902348"
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                           zFract="0.57970464"/>
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                           y3="6.56435"
                           yFract="0.7539463"
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                           y3="8.00599"
                           yFract="0.91952539"
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                           yFract="0.75018136"
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                           yFract="0.74999989"
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                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
                     <bond atomRefs2="a24 a36" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a26" order="S"/>
                     <bond atomRefs2="a24 a27" order="S"/>
                     <bond atomRefs2="a25 a40" order="S"/>
                     <bond atomRefs2="a25 a28" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a40" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a38" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
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                     <bond atomRefs2="a39 a42" order="S"/>
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                     <bond atomRefs2="a40 a43" order="S"/>
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                     <bond atomRefs2="a44 a45" order="S"/>
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                  <property dictRef="cml:molmass">
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               <molecule id="calculation.position.30">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           z3="20.12041"
                           zFract="0.63412962"/>
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                           z3="19.53342"
                           zFract="0.61562962"/>
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                           yFract="0.25194522"
                           z3="18.41739"
                           zFract="0.58045599"/>
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                           y3="0.75541"
                           yFract="0.08676237"
                           z3="17.4707"
                           zFract="0.55061942"/>
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                           y3="2.18296"
                           yFract="0.25072317"
                           z3="16.62808"
                           zFract="0.52406279"/>
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                           xFract="0.17331945"
                           y3="0.73551"
                           yFract="0.08447676"
                           z3="15.73008"
                           zFract="0.49576076"/>
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                           yFract="0.24999958"
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           xFract="0.16666728"
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                           zFract="0.4136666"/>
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                           yFract="0.08333281"
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                           zFract="0.38726188"/>
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                           xFract="0.50000042"
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                           yFract="0.24999958"
                           z3="11.4497"
                           zFract="0.36085716"/>
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                           xFract="0.16666728"
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                           yFract="0.08333281"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           yFract="0.24999958"
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                           zFract="0.30804772"/>
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                           xFract="0.50000042"
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                           yFract="0.08333281"
                           z3="8.9363"
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                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           x3="6.06687"
                           xFract="0.85341247"
                           y3="5.08611"
                           yFract="0.58416352"
                           z3="20.27251"
                           zFract="0.63892332"/>
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                           id="a17"
                           x3="3.6617"
                           xFract="0.51508281"
                           y3="3.64676"
                           yFract="0.41884744"
                           z3="19.39757"
                           zFract="0.61134807"/>
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                           xFract="0.1738357"
                           y3="5.12667"
                           yFract="0.58882203"
                           z3="18.46955"
                           zFract="0.58209991"/>
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                           x3="5.99212"
                           xFract="0.84289756"
                           y3="3.62658"
                           yFract="0.41652967"
                           z3="17.50786"
                           zFract="0.55179058"/>
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                           xFract="0.50489144"
                           y3="5.07717"
                           yFract="0.58313672"
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                           zFract="0.52510315"/>
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                           y3="3.63972"
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                           z3="15.78429"
                           zFract="0.49746928"/>
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                           yFract="0.58333312"
                           z3="14.80089"
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                           y3="3.62777"
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                           zFract="0.440071"/>
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                           yFract="0.41666635"
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                           yFract="0.91962072"
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                           yFract="0.75131153"
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                           yFract="0.91902348"
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                           yFract="0.91954147"
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                     <bond atomRefs2="a25 a40" order="S"/>
                     <bond atomRefs2="a25 a28" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a40" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a38" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
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                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
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                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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               <molecule id="calculation.position.31">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16276"
                           yFract="0.2484031"
                           z3="20.12689"
                           zFract="0.63433385"/>
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                           xFract="0.51058426"
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                           yFract="0.08285846"
                           z3="19.52377"
                           zFract="0.61532548"/>
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                           z3="18.42021"
                           zFract="0.58054487"/>
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                           xFract="0.84900113"
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                           yFract="0.08672102"
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                           zFract="0.55068056"/>
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                           y3="2.18396"
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                           zFract="0.52411542"/>
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                           y3="0.73727"
                           yFract="0.08467891"
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                           zFract="0.49586855"/>
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                           yFract="0.24999958"
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                           zFract="0.46647572"/>
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                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.440071"/>
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                           zFract="0.38726188"/>
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                           zFract="0.36085716"/>
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                           yFract="0.08333281"
                           z3="10.6119"
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                           yFract="0.24999958"
                           z3="9.7741"
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                           yFract="0.08333281"
                           z3="8.9363"
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                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
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                           xFract="0.85463206"
                           y3="5.08618"
                           yFract="0.58417156"
                           z3="20.26338"
                           zFract="0.63863557"/>
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                           xFract="0.51494496"
                           y3="3.64595"
                           yFract="0.41875441"
                           z3="19.39199"
                           zFract="0.6111722"/>
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                           xFract="0.17399888"
                           y3="5.12594"
                           yFract="0.58873818"
                           z3="18.47137"
                           zFract="0.58215727"/>
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                           x3="5.99462"
                           xFract="0.84324923"
                           y3="3.62211"
                           yFract="0.41601627"
                           z3="17.50724"
                           zFract="0.55177104"/>
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                           xFract="0.50474655"
                           y3="5.07866"
                           yFract="0.58330785"
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                           zFract="0.52493296"/>
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                           xFract="0.17045405"
                           y3="3.63978"
                           yFract="0.41804576"
                           z3="15.78509"
                           zFract="0.49749449"/>
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                           yFract="0.58333312"
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                           y3="3.62777"
                           yFract="0.41666635"
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                           yFract="0.41666635"
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                           zFract="0.33445244"/>
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                           yFract="0.75126674"
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                           yFract="0.9188512"
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                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a43" order="S"/>
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                     <bond atomRefs2="a44 a45" order="S"/>
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               <molecule id="calculation.position.32">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16249"
                           yFract="0.24837209"
                           z3="20.1276"
                           zFract="0.63435623"/>
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                           yFract="0.0828286"
                           z3="19.5227"
                           zFract="0.61529176"/>
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                           xFract="0.18603862"
                           y3="2.19264"
                           yFract="0.25183496"
                           z3="18.42053"
                           zFract="0.58055496"/>
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                           yFract="0.08671643"
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                           yFract="0.08470073"
                           z3="15.73388"
                           zFract="0.49588052"/>
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                           zFract="0.46647572"/>
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                           yFract="0.08333281"
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                           z3="8.9363"
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                           xFract="0.16666728"
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                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.8547671"
                           y3="5.08618"
                           yFract="0.58417156"
                           z3="20.26237"
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                           xFract="0.51492948"
                           y3="3.64586"
                           yFract="0.41874407"
                           z3="19.39137"
                           zFract="0.61115266"/>
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                           xFract="0.17401716"
                           y3="5.12586"
                           yFract="0.58872899"
                           z3="18.47157"
                           zFract="0.58216357"/>
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                           xFract="0.84328862"
                           y3="3.62162"
                           yFract="0.41595999"
                           z3="17.50717"
                           zFract="0.55176883"/>
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                           x3="3.5881"
                           xFract="0.50472967"
                           y3="5.07882"
                           yFract="0.58332623"
                           z3="16.65509"
                           zFract="0.52491405"/>
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                           xFract="0.17047515"
                           y3="3.63979"
                           yFract="0.4180469"
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                           yFract="0.91883167"
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                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a43" order="S"/>
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                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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               <molecule id="calculation.position.33">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="2.16162"
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                           z3="20.13188"
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                           yFract="0.08281941"
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                           yFract="0.08640402"
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                           y3="5.08654"
                           yFract="0.58421291"
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                           xFract="0.51464252"
                           y3="3.64416"
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                           xFract="0.84350806"
                           y3="3.61821"
                           yFract="0.41556834"
                           z3="17.50573"
                           zFract="0.55172345"/>
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                           y3="5.0773"
                           yFract="0.58315165"
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                           zFract="0.52479681"/>
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                           y3="3.63882"
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                     <bond atomRefs2="a32 a33" order="S"/>
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                     <bond atomRefs2="a35 a36" order="S"/>
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                     <bond atomRefs2="a38 a41" order="S"/>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                     <bond atomRefs2="a41 a44" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
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                  <formula concise="H4Ag45">
                     <atomArray count="4 45" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4854.068999999997</scalar>
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               <molecule id="calculation.position.36">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">7.108954</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.7066546</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">31.7291753</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           x3="6.11159"
                           xFract="0.85970313"
                           y3="2.1599"
                           yFract="0.24807462"
                           z3="20.13566"
                           zFract="0.63461025"/>
                     <atom elementType="Ag"
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                           x3="3.63253"
                           xFract="0.51097953"
                           y3="0.72013"
                           yFract="0.0827103"
                           z3="19.49925"
                           zFract="0.61455269"/>
                     <atom elementType="Ag"
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                           x3="1.30788"
                           xFract="0.18397643"
                           y3="2.18741"
                           yFract="0.25123427"
                           z3="18.4283"
                           zFract="0.58079984"/>
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                           xFract="0.84825137"
                           y3="0.74734"
                           yFract="0.08583549"
                           z3="17.47535"
                           zFract="0.55076597"/>
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                           xFract="0.51022133"
                           y3="2.18552"
                           yFract="0.25101719"
                           z3="16.63355"
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                           xFract="0.17251624"
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                           yFract="0.08482707"
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                           zFract="0.49587107"/>
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                           yFract="0.24999958"
                           z3="14.80089"
                           zFract="0.46647572"/>
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                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="13.96309"
                           zFract="0.440071"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
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                           zFract="0.4136666"/>
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                           id="a10"
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                           xFract="0.83333357"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="12.2875"
                           zFract="0.38726188"/>
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                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="11.4497"
                           zFract="0.36085716"/>
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="0.72555"
                           yFract="0.08333281"
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                           zFract="0.33445244"/>
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                           yFract="0.24999958"
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                           xFract="0.50000042"
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                           yFract="0.08333281"
                           z3="8.9363"
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                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
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                           xFract="0.85548029"
                           y3="5.0840"
                           yFract="0.58392118"
                           z3="20.24939"
                           zFract="0.63819465"/>
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                           id="a17"
                           x3="3.6575"
                           xFract="0.51449201"
                           y3="3.64228"
                           yFract="0.41833289"
                           z3="19.38225"
                           zFract="0.61086523"/>
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                           x3="1.24451"
                           xFract="0.17506232"
                           y3="5.12442"
                           yFract="0.5885636"
                           z3="18.46393"
                           zFract="0.58192278"/>
                     <atom elementType="Ag"
                           id="a19"
                           x3="5.99688"
                           xFract="0.84356714"
                           y3="3.61614"
                           yFract="0.41533059"
                           z3="17.50329"
                           zFract="0.55164655"/>
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                           id="a20"
                           x3="3.59688"
                           xFract="0.50596473"
                           y3="5.07408"
                           yFract="0.58278182"
                           z3="16.65151"
                           zFract="0.52480122"/>
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                           xFract="0.17080291"
                           y3="3.63771"
                           yFract="0.41780801"
                           z3="15.78436"
                           zFract="0.49747149"/>
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                           x3="5.92413"
                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="14.80089"
                           zFract="0.46647572"/>
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                           id="a23"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="13.96309"
                           zFract="0.440071"/>
                     <atom elementType="Ag"
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                           x3="1.18483"
                           xFract="0.16666728"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           id="a25"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="12.2875"
                           zFract="0.38726188"/>
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                           id="a26"
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                           xFract="0.50000042"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="11.4497"
                           zFract="0.36085716"/>
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                           id="a27"
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                           xFract="0.16666728"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="10.6119"
                           zFract="0.33445244"/>
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                           id="a28"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="9.7741"
                           zFract="0.30804772"/>
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                           yFract="0.41666635"
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                           zFract="0.281643"/>
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                           xFract="0.16666728"
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                           yFract="0.58333312"
                           z3="8.09851"
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                           xFract="0.85641291"
                           y3="7.99466"
                           yFract="0.91822409"
                           z3="20.0515"
                           zFract="0.63195781"/>
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                           xFract="0.5166822"
                           y3="6.53867"
                           yFract="0.75099683"
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                           zFract="0.60805016"/>
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                           yFract="0.91829071"
                           z3="18.38357"
                           zFract="0.5793901"/>
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                           y3="6.56126"
                           yFract="0.7535914"
                           z3="17.44094"
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                           xFract="0.51045625"
                           y3="8.00456"
                           yFract="0.91936115"
                           z3="16.6805"
                           zFract="0.52571489"/>
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                           yFract="0.74986436"
                           z3="15.74321"
                           zFract="0.49617457"/>
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                           yFract="0.91666666"
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                           zFract="0.46647572"/>
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                           yFract="0.74999989"
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                           yFract="0.91666666"
                           z3="13.1253"
                           zFract="0.4136666"/>
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                           xFract="0.83333357"
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                           yFract="0.74999989"
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                           yFract="0.74999989"
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                     <atom elementType="Ag"
                           id="a9"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="13.1253"
                           zFract="0.4136666"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="12.2875"
                           zFract="0.38726188"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="11.4497"
                           zFract="0.36085716"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="10.6119"
                           zFract="0.33445244"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="9.7741"
                           zFract="0.30804772"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="0.72555"
                           yFract="0.08333281"
                           z3="8.9363"
                           zFract="0.281643"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="2.17666"
                           yFract="0.24999958"
                           z3="8.09851"
                           zFract="0.25523859"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="6.08875"
                           xFract="0.85649028"
                           y3="5.08125"
                           yFract="0.58360533"
                           z3="20.23487"
                           zFract="0.63773703"/>
                     <atom elementType="Ag"
                           id="a17"
                           x3="3.65935"
                           xFract="0.51475224"
                           y3="3.64049"
                           yFract="0.4181273"
                           z3="19.38864"
                           zFract="0.61106662"/>
                     <atom elementType="Ag"
                           id="a18"
                           x3="1.24734"
                           xFract="0.17546041"
                           y3="5.1166"
                           yFract="0.58766544"
                           z3="18.44268"
                           zFract="0.58125305"/>
                     <atom elementType="Ag"
                           id="a19"
                           x3="5.99594"
                           xFract="0.84343491"
                           y3="3.60966"
                           yFract="0.41458633"
                           z3="17.50272"
                           zFract="0.55162858"/>
                     <atom elementType="Ag"
                           id="a20"
                           x3="3.59829"
                           xFract="0.50616307"
                           y3="5.06901"
                           yFract="0.58219951"
                           z3="16.65037"
                           zFract="0.52476529"/>
                     <atom elementType="Ag"
                           id="a21"
                           x3="1.21357"
                           xFract="0.17071007"
                           y3="3.63729"
                           yFract="0.41775977"
                           z3="15.78165"
                           zFract="0.49738608"/>
                     <atom elementType="Ag"
                           id="a22"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="14.80089"
                           zFract="0.46647572"/>
                     <atom elementType="Ag"
                           id="a23"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="13.96309"
                           zFract="0.440071"/>
                     <atom elementType="Ag"
                           id="a24"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="13.1253"
                           zFract="0.4136666"/>
                     <atom elementType="Ag"
                           id="a25"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="12.2875"
                           zFract="0.38726188"/>
                     <atom elementType="Ag"
                           id="a26"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="11.4497"
                           zFract="0.36085716"/>
                     <atom elementType="Ag"
                           id="a27"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="10.6119"
                           zFract="0.33445244"/>
                     <atom elementType="Ag"
                           id="a28"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="9.7741"
                           zFract="0.30804772"/>
                     <atom elementType="Ag"
                           id="a29"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="3.62777"
                           yFract="0.41666635"
                           z3="8.9363"
                           zFract="0.281643"/>
                     <atom elementType="Ag"
                           id="a30"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="5.07888"
                           yFract="0.58333312"
                           z3="8.09851"
                           zFract="0.25523859"/>
                     <atom elementType="Ag"
                           id="a31"
                           x3="6.08856"
                           xFract="0.85646355"
                           y3="7.99204"
                           yFract="0.91792317"
                           z3="20.04566"
                           zFract="0.63177375"/>
                     <atom elementType="Ag"
                           id="a32"
                           x3="3.67192"
                           xFract="0.51652043"
                           y3="6.53577"
                           yFract="0.75066375"
                           z3="19.2944"
                           zFract="0.60809649"/>
                     <atom elementType="Ag"
                           id="a33"
                           x3="1.32331"
                           xFract="0.18614694"
                           y3="7.99178"
                           yFract="0.91789331"
                           z3="18.3860"
                           zFract="0.57946668"/>
                     <atom elementType="Ag"
                           id="a34"
                           x3="6.01106"
                           xFract="0.84556181"
                           y3="6.55554"
                           yFract="0.75293443"
                           z3="17.43653"
                           zFract="0.54954249"/>
                     <atom elementType="Ag"
                           id="a35"
                           x3="3.62633"
                           xFract="0.51010739"
                           y3="7.99821"
                           yFract="0.91863182"
                           z3="16.68098"
                           zFract="0.52573002"/>
                     <atom elementType="Ag"
                           id="a36"
                           x3="1.23682"
                           xFract="0.17398059"
                           y3="6.52823"
                           yFract="0.74979775"
                           z3="15.73865"
                           zFract="0.49603086"/>
                     <atom elementType="Ag"
                           id="a37"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="14.80089"
                           zFract="0.46647572"/>
                     <atom elementType="Ag"
                           id="a38"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="13.96309"
                           zFract="0.440071"/>
                     <atom elementType="Ag"
                           id="a39"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="13.1253"
                           zFract="0.4136666"/>
                     <atom elementType="Ag"
                           id="a40"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="12.2875"
                           zFract="0.38726188"/>
                     <atom elementType="Ag"
                           id="a41"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="11.4497"
                           zFract="0.36085716"/>
                     <atom elementType="Ag"
                           id="a42"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="10.6119"
                           zFract="0.33445244"/>
                     <atom elementType="Ag"
                           id="a43"
                           x3="5.92413"
                           xFract="0.83333357"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="9.7741"
                           zFract="0.30804772"/>
                     <atom elementType="Ag"
                           id="a44"
                           x3="3.55448"
                           xFract="0.50000042"
                           y3="6.52999"
                           yFract="0.74999989"
                           z3="8.9363"
                           zFract="0.281643"/>
                     <atom elementType="Ag"
                           id="a45"
                           x3="1.18483"
                           xFract="0.16666728"
                           y3="7.9811"
                           yFract="0.91666666"
                           z3="8.09851"
                           zFract="0.25523859"/>
                     <atom elementType="H"
                           id="a46"
                           x3="0.73447"
                           xFract="0.10331618"
                           y3="5.24995"
                           yFract="0.60298131"
                           z3="20.27237"
                           zFract="0.63891891"/>
                     <atom elementType="H"
                           id="a47"
                           x3="4.29741"
                           xFract="0.60450665"
                           y3="5.07068"
                           yFract="0.58239131"
                           z3="20.57963"
                           zFract="0.64860274"/>
                     <atom elementType="H"
                           id="a48"
                           x3="5.15678"
                           xFract="0.72539223"
                           y3="0.67816"
                           yFract="0.07788985"
                           z3="20.95495"
                           zFract="0.6604316"/>
                     <atom elementType="H"
                           id="a49"
                           x3="2.5002"
                           xFract="0.35169731"
                           y3="2.20582"
                           yFract="0.25334874"
                           z3="19.97949"
                           zFract="0.62968829"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a4" order="S"/>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a1 a19" order="S"/>
                     <bond atomRefs2="a1 a17" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a16" order="S"/>
                     <bond atomRefs2="a2 a17" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a21" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a18" order="S"/>
                     <bond atomRefs2="a3 a17" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a19" order="S"/>
                     <bond atomRefs2="a4 a5" order="S"/>
                     <bond atomRefs2="a5 a20" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a19" order="S"/>
                     <bond atomRefs2="a5 a21" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a21" order="S"/>
                     <bond atomRefs2="a6 a9" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a7 a10" order="S"/>
                     <bond atomRefs2="a7 a25" order="S"/>
                     <bond atomRefs2="a7 a22" order="S"/>
                     <bond atomRefs2="a7 a23" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a8 a10" order="S"/>
                     <bond atomRefs2="a8 a9" order="S"/>
                     <bond atomRefs2="a8 a23" order="S"/>
                     <bond atomRefs2="a8 a11" order="S"/>
                     <bond atomRefs2="a9 a23" order="S"/>
                     <bond atomRefs2="a9 a27" order="S"/>
                     <bond atomRefs2="a9 a12" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a24" order="S"/>
                     <bond atomRefs2="a10 a25" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a25" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a29" order="S"/>
                     <bond atomRefs2="a11 a27" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a11 a23" order="S"/>
                     <bond atomRefs2="a11 a26" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a27" order="S"/>
                     <bond atomRefs2="a13 a25" order="S"/>
                     <bond atomRefs2="a13 a28" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a13 a29" order="S"/>
                     <bond atomRefs2="a14 a29" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a27" order="S"/>
                     <bond atomRefs2="a15 a29" order="S"/>
                     <bond atomRefs2="a15 a30" order="S"/>
                     <bond atomRefs2="a16 a47" order="S"/>
                     <bond atomRefs2="a16 a31" order="S"/>
                     <bond atomRefs2="a16 a32" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a32" order="S"/>
                     <bond atomRefs2="a17 a18" order="S"/>
                     <bond atomRefs2="a17 a49" order="S"/>
                     <bond atomRefs2="a18 a33" order="S"/>
                     <bond atomRefs2="a18 a46" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a34" order="S"/>
                     <bond atomRefs2="a20 a34" order="S"/>
                     <bond atomRefs2="a20 a35" order="S"/>
                     <bond atomRefs2="a20 a32" order="S"/>
                     <bond atomRefs2="a20 a22" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a36" order="S"/>
                     <bond atomRefs2="a21 a36" order="S"/>
                     <bond atomRefs2="a21 a24" order="S"/>
                     <bond atomRefs2="a21 a23" order="S"/>
                     <bond atomRefs2="a22 a37" order="S"/>
                     <bond atomRefs2="a22 a34" order="S"/>
                     <bond atomRefs2="a22 a40" order="S"/>
                     <bond atomRefs2="a22 a25" order="S"/>
                     <bond atomRefs2="a22 a38" order="S"/>
                     <bond atomRefs2="a22 a23" order="S"/>
                     <bond atomRefs2="a23 a25" order="S"/>
                     <bond atomRefs2="a23 a38" order="S"/>
                     <bond atomRefs2="a23 a26" order="S"/>
                     <bond atomRefs2="a23 a24" order="S"/>
                     <bond atomRefs2="a24 a39" order="S"/>
                     <bond atomRefs2="a24 a36" order="S"/>
                     <bond atomRefs2="a24 a38" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a26" order="S"/>
                     <bond atomRefs2="a24 a27" order="S"/>
                     <bond atomRefs2="a25 a40" order="S"/>
                     <bond atomRefs2="a25 a28" order="S"/>
                     <bond atomRefs2="a25 a26" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a28" order="S"/>
                     <bond atomRefs2="a26 a40" order="S"/>
                     <bond atomRefs2="a26 a42" order="S"/>
                     <bond atomRefs2="a26 a38" order="S"/>
                     <bond atomRefs2="a26 a29" order="S"/>
                     <bond atomRefs2="a26 a27" order="S"/>
                     <bond atomRefs2="a27 a29" order="S"/>
                     <bond atomRefs2="a27 a42" order="S"/>
                     <bond atomRefs2="a27 a30" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a40" order="S"/>
                     <bond atomRefs2="a28 a44" order="S"/>
                     <bond atomRefs2="a28 a29" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a30" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a30 a45" order="S"/>
                     <bond atomRefs2="a30 a44" order="S"/>
                     <bond atomRefs2="a31 a34" order="S"/>
                     <bond atomRefs2="a31 a32" order="S"/>
                     <bond atomRefs2="a32 a34" order="S"/>
                     <bond atomRefs2="a32 a35" order="S"/>
                     <bond atomRefs2="a32 a33" order="S"/>
                     <bond atomRefs2="a33 a36" order="S"/>
                     <bond atomRefs2="a33 a35" order="S"/>
                     <bond atomRefs2="a34 a37" order="S"/>
                     <bond atomRefs2="a34 a35" order="S"/>
                     <bond atomRefs2="a35 a37" order="S"/>
                     <bond atomRefs2="a35 a36" order="S"/>
                     <bond atomRefs2="a36 a39" order="S"/>
                     <bond atomRefs2="a36 a38" order="S"/>
                     <bond atomRefs2="a37 a40" order="S"/>
                     <bond atomRefs2="a37 a38" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a40" order="S"/>
                     <bond atomRefs2="a38 a39" order="S"/>
                     <bond atomRefs2="a39 a41" order="S"/>
                     <bond atomRefs2="a39 a42" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a43" order="S"/>
                     <bond atomRefs2="a41 a43" order="S"/>
                     <bond atomRefs2="a41 a44" order="S"/>
                     <bond atomRefs2="a41 a42" order="S"/>
                     <bond atomRefs2="a42 a45" order="S"/>
                     <bond atomRefs2="a42 a44" order="S"/>
                     <bond atomRefs2="a43 a44" order="S"/>
                     <bond atomRefs2="a44 a45" order="S"/>
                  </bondArray>
                  <formula concise="H4Ag45">
                     <atomArray count="4 45" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">4854.068999999997</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-44.36389511</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-44.34988629</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-44.35922550</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.3927</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1374489E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.108954</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.706655</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.729175</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="6.10820515"
                        xFract="0.85922699"
                        y3="2.15335718"
                        yFract="0.24732313"
                        z3="20.13244591"
                        zFract="0.63450896"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="3.63325572"
                        xFract="0.51108162"
                        y3="0.71508206"
                        yFract="0.08213052"
                        z3="19.49708192"
                        zFract="0.61448436"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="1.31150187"
                        xFract="0.18448591"
                        y3="2.18492207"
                        yFract="0.25094851"
                        z3="18.43073782"
                        zFract="0.58087668"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="6.03132801"
                        xFract="0.84841286"
                        y3="0.74332177"
                        yFract="0.08537398"
                        z3="17.46991518"
                        zFract="0.55059469"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="3.62552842"
                        xFract="0.50999464"
                        y3="2.17895406"
                        yFract="0.25026305"
                        z3="16.63184133"
                        zFract="0.52418134"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="1.22656015"
                        xFract="0.17253736"
                        y3="0.73681209"
                        yFract="0.08462631"
                        z3="15.73217941"
                        zFract="0.49582693"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="5.92412825"
                        xFract="0.83333332"
                        y3="2.17666374"
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                  <bond atomRefs2="a8 a9" order="S"/>
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                  <bond atomRefs2="a12 a15" order="S"/>
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                  <bond atomRefs2="a20 a36" order="S"/>
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                  <bond atomRefs2="a21 a23" order="S"/>
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                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a38" order="S"/>
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                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a38" order="S"/>
                  <bond atomRefs2="a24 a42" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a26 a44" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a45" order="S"/>
                  <bond atomRefs2="a30 a44" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
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               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4854.068999999997</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
