<?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">
         <dummy/>
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.4.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">20Jul23 (build May 01 2024 18:10:19) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-04-07T13:03:20.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">24.445824562619787</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.44582452493818</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">7.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">7.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">7.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="-1.07598314"
                        xFract="0.336046"
                        y3="-0.1292399"
                        yFract="0.336046"
                        z3="17.58170752"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="-2.56646114"
                        xFract="0.336046"
                        y3="-0.1292399"
                        yFract="0.836046"
                        z3="29.71340402"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="-1.07598314"
                        xFract="0.836046"
                        y3="-0.1292399"
                        yFract="0.336046"
                        z3="29.80462002"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="-2.56646114"
                        xFract="0.836046"
                        y3="-0.1292399"
                        yFract="0.836046"
                        z3="41.93631652"
                        zFract="0.0500"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="-1.67161316"
                        xFract="0.486045"
                        y3="-0.3877197"
                        yFract="0.486045"
                        z3="27.31438081"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="-3.16209116"
                        xFract="0.486045"
                        y3="-0.3877197"
                        yFract="0.986045"
                        z3="39.44607731"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="-1.67161316"
                        xFract="0.986045"
                        y3="-0.3877197"
                        yFract="0.486045"
                        z3="39.53729331"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="-3.16209116"
                        xFract="0.986045"
                        y3="-0.3877197"
                        yFract="0.986045"
                        z3="51.66898981"
                        zFract="0.1500"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="-0.77242089"
                        xFract="0.13529738"
                        y3="-0.64251151"
                        yFract="0.13529738"
                        z3="12.62145882"
                        zFract="0.2485732"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="-2.26289889"
                        xFract="0.13529738"
                        y3="-0.64251151"
                        yFract="0.63529738"
                        z3="24.75315532"
                        zFract="0.2485732"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="-0.77242089"
                        xFract="0.63529738"
                        y3="-0.64251151"
                        yFract="0.13529738"
                        z3="24.84437132"
                        zFract="0.2485732"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="-2.26289889"
                        xFract="0.63529738"
                        y3="-0.64251151"
                        yFract="0.63529738"
                        z3="36.97606782"
                        zFract="0.2485732"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="-1.37431796"
                        xFract="0.2858143"
                        y3="-0.90921304"
                        yFract="0.2858143"
                        z3="22.45653659"
                        zFract="0.351754"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="-2.86479596"
                        xFract="0.2858143"
                        y3="-0.90921304"
                        yFract="0.7858143"
                        z3="34.58823309"
                        zFract="0.351754"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="-1.37431796"
                        xFract="0.7858143"
                        y3="-0.90921304"
                        yFract="0.2858143"
                        z3="34.67944909"
                        zFract="0.351754"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="-2.86479596"
                        xFract="0.7858143"
                        y3="-0.90921304"
                        yFract="0.7858143"
                        z3="46.81114559"
                        zFract="0.351754"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-1.9039111"
                        xFract="0.44692121"
                        y3="-0.9951014"
                        yFract="0.44692121"
                        z3="31.11015876"
                        zFract="0.38498227"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-3.3943891"
                        xFract="0.44692121"
                        y3="-0.9951014"
                        yFract="0.94692121"
                        z3="43.24185526"
                        zFract="0.38498227"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.9039111"
                        xFract="0.94692121"
                        y3="-0.9951014"
                        yFract="0.44692121"
                        z3="43.33307126"
                        zFract="0.38498227"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-3.3943891"
                        xFract="0.94692121"
                        y3="-0.9951014"
                        yFract="0.94692121"
                        z3="55.46476776"
                        zFract="0.38498227"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
               </bondArray>
               <formula concise="H4Ag16">
                  <atomArray count="4 16" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1725.8911999999996</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">180.7200</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Ag 06Sep2000|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="2">Ag H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">107.868 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">16 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="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1920">-13.7503 -12.8676 -12.8666 -12.8666 -12.4950 -11.8678 -11.8229 -11.8229 -11.8228 -11.7082 -11.7082 -11.7070 -11.6909 -11.6909 -11.6908 -11.6323 -11.4502 -11.4497 -11.4497 -11.3075 -11.3070 -11.3070 -10.9013 -10.9013 -10.8988 -10.7810 -10.7808 -10.7342 -10.6912 -10.6889 -10.6889 -10.6095 -10.5752 -10.5740 -10.5502 -10.5480 -10.5321 -10.5321 -10.5311 -10.3421 -10.3415 -10.1932 -10.1926 -10.1926 -10.1005 -10.0955 -10.0955 -9.9869 -9.9869 -9.9820 -9.9404 -9.9029 -9.8996 -9.7721 -9.7655 -9.7056 -9.7056 -9.7050 -9.5281 -9.5277 -9.4728 -9.4728 -9.4728 -9.3336 -9.3336 -9.3336 -9.2733 -9.2731 -9.2731 -9.2649 -9.2649 -9.2640 -9.2327 -9.2290 -9.1199 -9.1181 -9.1181 -9.0445 -9.0445 -9.0437 -8.9235 -8.9235 -8.9235 -8.1707 -7.7060 -7.7060 -7.7046 -6.2458 -5.5708 -5.5708 -5.5629 -4.9311 -4.9249 -4.9249 -4.4045 -4.3969 -4.3969 -3.7817 -3.6444 -3.6352 -3.6352 -3.6177 -2.3583 -2.3352 -2.3352 -2.3304 -1.7452 -1.5130 -1.5130 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                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20841"
                           xFract="0.13529423"
                           y3="0.69942"
                           yFract="0.13529491"
                           z3="6.17542"
                           zFract="0.2485779"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69331"
                           xFract="0.1352947"
                           y3="3.28422"
                           yFract="0.63529529"
                           z3="6.35786"
                           zFract="0.24857821"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18937"
                           xFract="0.6352949"
                           y3="0.69942"
                           yFract="0.13529491"
                           z3="6.35786"
                           zFract="0.24857821"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67427"
                           xFract="0.63529538"
                           y3="3.28422"
                           yFract="0.63529529"
                           z3="6.54029"
                           zFract="0.24857812"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55289"
                           xFract="0.28582354"
                           y3="1.47759"
                           yFract="0.28582311"
                           z3="8.80632"
                           zFract="0.35170614"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03778"
                           xFract="0.28582235"
                           y3="4.06239"
                           yFract="0.7858235"
                           z3="8.98875"
                           zFract="0.35170607"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53384"
                           xFract="0.78582254"
                           y3="1.47759"
                           yFract="0.28582311"
                           z3="8.98875"
                           zFract="0.35170607"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01874"
                           xFract="0.78582302"
                           y3="4.06239"
                           yFract="0.7858235"
                           z3="9.17118"
                           zFract="0.35170598"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.9917"
                           xFract="0.44691387"
                           y3="2.31036"
                           yFract="0.44691307"
                           z3="9.73864"
                           zFract="0.38503567"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.4766"
                           xFract="0.44691435"
                           y3="4.89516"
                           yFract="0.94691345"
                           z3="9.92107"
                           zFract="0.38503558"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97266"
                           xFract="0.94691454"
                           y3="2.31036"
                           yFract="0.44691307"
                           z3="9.92107"
                           zFract="0.38503558"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45755"
                           xFract="0.94691334"
                           y3="4.89516"
                           yFract="0.94691345"
                           z3="10.1035"
                           zFract="0.38503551"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20835"
                           xFract="0.13528802"
                           y3="0.69938"
                           yFract="0.13528717"
                           z3="6.17578"
                           zFract="0.24859283"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69324"
                           xFract="0.13528682"
                           y3="3.28418"
                           yFract="0.63528755"
                           z3="6.35821"
                           zFract="0.24859276"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.1893"
                           xFract="0.63528701"
                           y3="0.69938"
                           yFract="0.13528717"
                           z3="6.35821"
                           zFract="0.24859276"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6742"
                           xFract="0.63528749"
                           y3="3.28418"
                           yFract="0.63528755"
                           z3="6.54064"
                           zFract="0.24859267"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55313"
                           xFract="0.28585031"
                           y3="1.47773"
                           yFract="0.28585019"
                           z3="8.80281"
                           zFract="0.35156175"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03802"
                           xFract="0.28584911"
                           y3="4.06253"
                           yFract="0.78585058"
                           z3="8.98524"
                           zFract="0.35156168"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53408"
                           xFract="0.7858493"
                           y3="1.47773"
                           yFract="0.28585019"
                           z3="8.98524"
                           zFract="0.35156169"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01898"
                           xFract="0.78584978"
                           y3="4.06253"
                           yFract="0.78585058"
                           z3="9.16767"
                           zFract="0.35156159"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.9915"
                           xFract="0.44689188"
                           y3="2.31024"
                           yFract="0.44688985"
                           z3="9.74253"
                           zFract="0.38519548"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47639"
                           xFract="0.44689069"
                           y3="4.89504"
                           yFract="0.94689024"
                           z3="9.92496"
                           zFract="0.38519541"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97245"
                           xFract="0.94689088"
                           y3="2.31024"
                           yFract="0.44688985"
                           z3="9.92496"
                           zFract="0.38519541"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45735"
                           xFract="0.94689136"
                           y3="4.89504"
                           yFract="0.94689024"
                           z3="10.10739"
                           zFract="0.38519532"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20821"
                           xFract="0.13527224"
                           y3="0.6993"
                           yFract="0.13527169"
                           z3="6.17648"
                           zFract="0.24862193"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69311"
                           xFract="0.13527272"
                           y3="3.2841"
                           yFract="0.63527208"
                           z3="6.35892"
                           zFract="0.24862225"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18917"
                           xFract="0.63527291"
                           y3="0.6993"
                           yFract="0.13527169"
                           z3="6.35892"
                           zFract="0.24862225"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67407"
                           xFract="0.63527339"
                           y3="3.2841"
                           yFract="0.63527208"
                           z3="6.54135"
                           zFract="0.24862216"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.5536"
                           xFract="0.28590313"
                           y3="1.4780"
                           yFract="0.28590242"
                           z3="8.7958"
                           zFract="0.35127343"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.0385"
                           xFract="0.28590361"
                           y3="4.0628"
                           yFract="0.78590281"
                           z3="8.97823"
                           zFract="0.35127333"/>
                     <atom elementType="Ag"
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                           x3="5.53456"
                           xFract="0.7859038"
                           y3="1.4780"
                           yFract="0.28590242"
                           z3="8.97823"
                           zFract="0.35127334"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01945"
                           xFract="0.7859026"
                           y3="4.0628"
                           yFract="0.78590281"
                           z3="9.16067"
                           zFract="0.35127368"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.99109"
                           xFract="0.44684528"
                           y3="2.31001"
                           yFract="0.44684536"
                           z3="9.75031"
                           zFract="0.38551509"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47598"
                           xFract="0.44684408"
                           y3="4.89481"
                           yFract="0.94684575"
                           z3="9.93274"
                           zFract="0.38551502"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97204"
                           xFract="0.94684427"
                           y3="2.31001"
                           yFract="0.44684536"
                           z3="9.93274"
                           zFract="0.38551502"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45694"
                           xFract="0.94684475"
                           y3="4.89481"
                           yFract="0.94684575"
                           z3="10.11518"
                           zFract="0.38551534"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
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                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20795"
                           xFract="0.13524309"
                           y3="0.69915"
                           yFract="0.13524268"
                           z3="6.1779"
                           zFract="0.24868089"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69284"
                           xFract="0.13524189"
                           y3="3.28395"
                           yFract="0.63524306"
                           z3="6.36033"
                           zFract="0.24868082"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.1889"
                           xFract="0.63524208"
                           y3="0.69915"
                           yFract="0.13524268"
                           z3="6.36033"
                           zFract="0.24868082"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6738"
                           xFract="0.63524256"
                           y3="3.28395"
                           yFract="0.63524306"
                           z3="6.54276"
                           zFract="0.24868073"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55455"
                           xFract="0.28600948"
                           y3="1.47855"
                           yFract="0.28600881"
                           z3="8.78178"
                           zFract="0.35069674"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03945"
                           xFract="0.28600995"
                           y3="4.06335"
                           yFract="0.7860092"
                           z3="8.96422"
                           zFract="0.35069705"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53551"
                           xFract="0.78601015"
                           y3="1.47855"
                           yFract="0.28600881"
                           z3="8.96422"
                           zFract="0.35069706"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.0204"
                           xFract="0.78600895"
                           y3="4.06335"
                           yFract="0.7860092"
                           z3="9.14665"
                           zFract="0.35069699"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.99027"
                           xFract="0.44675302"
                           y3="2.30954"
                           yFract="0.44675445"
                           z3="9.76588"
                           zFract="0.38615474"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47517"
                           xFract="0.4467535"
                           y3="4.89434"
                           yFract="0.94675483"
                           z3="9.94831"
                           zFract="0.38615465"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97123"
                           xFract="0.9467537"
                           y3="2.30954"
                           yFract="0.44675445"
                           z3="9.94831"
                           zFract="0.38615465"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45613"
                           xFract="0.94675417"
                           y3="4.89434"
                           yFract="0.94675483"
                           z3="10.13074"
                           zFract="0.38615456"/>
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                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               <molecule id="calculation.position.6">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20796"
                           xFract="0.13524476"
                           y3="0.69915"
                           yFract="0.13524268"
                           z3="6.17786"
                           zFract="0.24867923"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69285"
                           xFract="0.13524356"
                           y3="3.28395"
                           yFract="0.63524306"
                           z3="6.36029"
                           zFract="0.24867916"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18891"
                           xFract="0.63524376"
                           y3="0.69915"
                           yFract="0.13524268"
                           z3="6.36029"
                           zFract="0.24867916"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67381"
                           xFract="0.63524424"
                           y3="3.28395"
                           yFract="0.63524306"
                           z3="6.54272"
                           zFract="0.24867907"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55453"
                           xFract="0.28600708"
                           y3="1.47854"
                           yFract="0.28600688"
                           z3="8.78214"
                           zFract="0.35071153"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03942"
                           xFract="0.28600589"
                           y3="4.06334"
                           yFract="0.78600726"
                           z3="8.96457"
                           zFract="0.35071146"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53548"
                           xFract="0.78600608"
                           y3="1.47854"
                           yFract="0.28600688"
                           z3="8.96457"
                           zFract="0.35071146"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.02038"
                           xFract="0.78600656"
                           y3="4.06334"
                           yFract="0.78600726"
                           z3="9.14701"
                           zFract="0.35071178"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.99029"
                           xFract="0.44675542"
                           y3="2.30955"
                           yFract="0.44675638"
                           z3="9.76548"
                           zFract="0.38613832"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47519"
                           xFract="0.44675589"
                           y3="4.89435"
                           yFract="0.94675677"
                           z3="9.94791"
                           zFract="0.38613822"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97125"
                           xFract="0.94675609"
                           y3="2.30955"
                           yFract="0.44675638"
                           z3="9.94791"
                           zFract="0.38613822"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45615"
                           xFract="0.94675656"
                           y3="4.89435"
                           yFract="0.94675677"
                           z3="10.13035"
                           zFract="0.38613854"/>
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                     <bond atomRefs2="a1 a3" order="S"/>
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                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
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                     <bond atomRefs2="a16 a20" order="S"/>
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                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="4 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           xFract="0.33604611"
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                           zFract="0.05000019"/>
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                           xFract="0.8360463"
                           y3="1.73722"
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                           z3="1.64995"
                           zFract="0.05000019"/>
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                           id="a4"
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                           xFract="0.83604678"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
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                           zFract="0.15000014"/>
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                           id="a7"
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                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
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                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
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                           x3="1.20799"
                           xFract="0.13524691"
                           y3="0.69918"
                           yFract="0.13524848"
                           z3="6.17675"
                           zFract="0.2486337"/>
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                           xFract="0.13524835"
                           y3="3.28397"
                           yFract="0.63524693"
                           z3="6.35918"
                           zFract="0.24863362"/>
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                           x3="4.18895"
                           xFract="0.63524758"
                           y3="0.69918"
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                           z3="6.35918"
                           zFract="0.24863361"/>
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                           xFract="0.63524734"
                           y3="3.28397"
                           yFract="0.63524693"
                           z3="6.54161"
                           zFract="0.24863356"/>
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                           xFract="0.28595666"
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                           yFract="0.28595658"
                           z3="8.78287"
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                           y3="4.06308"
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                           z3="8.9653"
                           zFract="0.3507428"/>
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                           x3="7.01993"
                           xFract="0.78595613"
                           y3="4.06308"
                           yFract="0.78595697"
                           z3="9.14773"
                           zFract="0.35074273"/>
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                           xFract="0.44676808"
                           y3="2.30961"
                           yFract="0.44676799"
                           z3="9.76684"
                           zFract="0.38619359"/>
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                           x3="5.4753"
                           xFract="0.44676856"
                           y3="4.89441"
                           yFract="0.94676837"
                           z3="9.94927"
                           zFract="0.38619349"/>
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                           x3="6.97136"
                           xFract="0.94676876"
                           y3="2.30961"
                           yFract="0.44676799"
                           z3="9.94927"
                           zFract="0.3861935"/>
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                           x3="8.45625"
                           xFract="0.94676756"
                           y3="4.89441"
                           yFract="0.94676837"
                           z3="10.1317"
                           zFract="0.38619343"/>
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                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
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                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               <molecule id="calculation.position.8">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
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                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           xFract="0.48604607"
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                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
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                           id="a7"
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                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.2081"
                           xFract="0.13525957"
                           y3="0.69924"
                           yFract="0.13526009"
                           z3="6.1734"
                           zFract="0.2484963"/>
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                           id="a10"
                           x3="2.69299"
                           xFract="0.13525934"
                           y3="3.28403"
                           yFract="0.63525854"
                           z3="6.35583"
                           zFract="0.24849625"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18905"
                           xFract="0.63525857"
                           y3="0.69924"
                           yFract="0.13526009"
                           z3="6.35583"
                           zFract="0.24849624"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67395"
                           xFract="0.63526001"
                           y3="3.28403"
                           yFract="0.63525854"
                           z3="6.53827"
                           zFract="0.24849656"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55274"
                           xFract="0.28580706"
                           y3="1.4775"
                           yFract="0.2858057"
                           z3="8.78504"
                           zFract="0.35083615"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03763"
                           xFract="0.28580586"
                           y3="4.0623"
                           yFract="0.78580609"
                           z3="8.96747"
                           zFract="0.35083608"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53369"
                           xFract="0.78580605"
                           y3="1.4775"
                           yFract="0.2858057"
                           z3="8.96747"
                           zFract="0.35083608"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01859"
                           xFract="0.78580653"
                           y3="4.0623"
                           yFract="0.78580609"
                           z3="9.14991"
                           zFract="0.3508364"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.99072"
                           xFract="0.44680345"
                           y3="2.3098"
                           yFract="0.44680474"
                           z3="9.77092"
                           zFract="0.38635941"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47562"
                           xFract="0.44680393"
                           y3="4.8946"
                           yFract="0.94680513"
                           z3="9.95335"
                           zFract="0.38635932"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97168"
                           xFract="0.94680412"
                           y3="2.3098"
                           yFract="0.44680474"
                           z3="9.95335"
                           zFract="0.38635932"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45657"
                           xFract="0.94680292"
                           y3="4.8946"
                           yFract="0.94680513"
                           z3="10.13578"
                           zFract="0.38635925"/>
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                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="4 16" elementType="H Ag"/>
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                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
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                           xFract="0.33604611"
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                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           xFract="0.48604463"
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                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           yFract="0.98604417"
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                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
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                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
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                           x3="1.20831"
                           xFract="0.13528323"
                           y3="0.69936"
                           yFract="0.1352833"
                           z3="6.16671"
                           zFract="0.24822194"/>
                     <atom elementType="Ag"
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                           xFract="0.13528204"
                           y3="3.28416"
                           yFract="0.63528369"
                           z3="6.34915"
                           zFract="0.24822228"/>
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                           x3="4.18926"
                           xFract="0.63528223"
                           y3="0.69936"
                           yFract="0.1352833"
                           z3="6.34915"
                           zFract="0.24822228"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67416"
                           xFract="0.63528271"
                           y3="3.28416"
                           yFract="0.63528369"
                           z3="6.53158"
                           zFract="0.24822218"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55005"
                           xFract="0.28550521"
                           y3="1.47595"
                           yFract="0.28550587"
                           z3="8.78939"
                           zFract="0.35102307"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03494"
                           xFract="0.28550498"
                           y3="4.06074"
                           yFract="0.78550432"
                           z3="8.97182"
                           zFract="0.35102302"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.5310"
                           xFract="0.78550421"
                           y3="1.47595"
                           yFract="0.28550587"
                           z3="8.97182"
                           zFract="0.35102301"/>
                     <atom elementType="Ag"
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                           x3="7.0159"
                           xFract="0.78550565"
                           y3="4.06074"
                           yFract="0.78550432"
                           z3="9.15426"
                           zFract="0.35102334"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.99137"
                           xFract="0.44687682"
                           y3="2.31017"
                           yFract="0.44687631"
                           z3="9.77906"
                           zFract="0.38669023"/>
                     <atom elementType="H"
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                           x3="5.47626"
                           xFract="0.44687563"
                           y3="4.89497"
                           yFract="0.9468767"
                           z3="9.9615"
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                     <atom elementType="H"
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                           xFract="0.94687582"
                           y3="2.31017"
                           yFract="0.44687631"
                           z3="9.9615"
                           zFract="0.38669057"/>
                     <atom elementType="H"
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                           x3="8.45722"
                           xFract="0.9468763"
                           y3="4.89497"
                           yFract="0.9468767"
                           z3="10.14393"
                           zFract="0.38669048"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20816"
                           xFract="0.13526578"
                           y3="0.69928"
                           yFract="0.13526782"
                           z3="6.17129"
                           zFract="0.24840978"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69306"
                           xFract="0.13526723"
                           y3="3.28407"
                           yFract="0.63526628"
                           z3="6.35372"
                           zFract="0.2484097"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18912"
                           xFract="0.63526645"
                           y3="0.69928"
                           yFract="0.13526782"
                           z3="6.35372"
                           zFract="0.24840969"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67402"
                           xFract="0.6352679"
                           y3="3.28407"
                           yFract="0.63526628"
                           z3="6.53615"
                           zFract="0.24840961"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55189"
                           xFract="0.2857117"
                           y3="1.47701"
                           yFract="0.28571091"
                           z3="8.78642"
                           zFract="0.35089544"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03678"
                           xFract="0.2857105"
                           y3="4.06181"
                           yFract="0.7857113"
                           z3="8.96885"
                           zFract="0.35089537"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53284"
                           xFract="0.78571069"
                           y3="1.47701"
                           yFract="0.28571091"
                           z3="8.96885"
                           zFract="0.35089537"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01774"
                           xFract="0.78571117"
                           y3="4.06181"
                           yFract="0.7857113"
                           z3="9.15128"
                           zFract="0.35089528"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.99093"
                           xFract="0.44682808"
                           y3="2.30991"
                           yFract="0.44682602"
                           z3="9.77349"
                           zFract="0.38646386"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47582"
                           xFract="0.44682688"
                           y3="4.89471"
                           yFract="0.94682641"
                           z3="9.95592"
                           zFract="0.38646379"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97188"
                           xFract="0.94682707"
                           y3="2.30991"
                           yFract="0.44682602"
                           z3="9.95592"
                           zFract="0.38646379"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45678"
                           xFract="0.94682755"
                           y3="4.89471"
                           yFract="0.94682641"
                           z3="10.13836"
                           zFract="0.3864641"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20815"
                           xFract="0.13526507"
                           y3="0.69927"
                           yFract="0.13526589"
                           z3="6.17179"
                           zFract="0.24843027"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69304"
                           xFract="0.13526483"
                           y3="3.28406"
                           yFract="0.63526434"
                           z3="6.35422"
                           zFract="0.24843022"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.1891"
                           xFract="0.63526406"
                           y3="0.69927"
                           yFract="0.13526589"
                           z3="6.35422"
                           zFract="0.24843021"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.6740"
                           xFract="0.63526551"
                           y3="3.28406"
                           yFract="0.63526434"
                           z3="6.53665"
                           zFract="0.24843013"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55209"
                           xFract="0.28573368"
                           y3="1.47713"
                           yFract="0.28573413"
                           z3="8.78609"
                           zFract="0.35088126"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03698"
                           xFract="0.28573345"
                           y3="4.06192"
                           yFract="0.78573258"
                           z3="8.96852"
                           zFract="0.35088121"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53304"
                           xFract="0.78573268"
                           y3="1.47713"
                           yFract="0.28573413"
                           z3="8.96852"
                           zFract="0.3508812"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01794"
                           xFract="0.78573412"
                           y3="4.06192"
                           yFract="0.78573258"
                           z3="9.15096"
                           zFract="0.35088153"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.99088"
                           xFract="0.44682162"
                           y3="2.30989"
                           yFract="0.44682215"
                           z3="9.77288"
                           zFract="0.38643906"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47577"
                           xFract="0.44682138"
                           y3="4.89468"
                           yFract="0.9468206"
                           z3="9.95531"
                           zFract="0.386439"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97183"
                           xFract="0.94682061"
                           y3="2.30989"
                           yFract="0.44682215"
                           z3="9.95531"
                           zFract="0.38643899"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45673"
                           xFract="0.94682205"
                           y3="4.89468"
                           yFract="0.9468206"
                           z3="10.13775"
                           zFract="0.38643932"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20828"
                           xFract="0.13528013"
                           y3="0.69934"
                           yFract="0.13527943"
                           z3="6.17263"
                           zFract="0.24846421"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69318"
                           xFract="0.13528061"
                           y3="3.28414"
                           yFract="0.63527982"
                           z3="6.35506"
                           zFract="0.24846411"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18924"
                           xFract="0.6352808"
                           y3="0.69934"
                           yFract="0.13527943"
                           z3="6.35506"
                           zFract="0.24846412"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67413"
                           xFract="0.6352796"
                           y3="3.28414"
                           yFract="0.63527982"
                           z3="6.53749"
                           zFract="0.24846405"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55166"
                           xFract="0.28568565"
                           y3="1.47688"
                           yFract="0.28568577"
                           z3="8.7878"
                           zFract="0.35095265"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03656"
                           xFract="0.28568613"
                           y3="4.06168"
                           yFract="0.78568615"
                           z3="8.97024"
                           zFract="0.35095297"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53262"
                           xFract="0.78568632"
                           y3="1.47688"
                           yFract="0.28568577"
                           z3="8.97024"
                           zFract="0.35095297"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01751"
                           xFract="0.78568512"
                           y3="4.06168"
                           yFract="0.78568615"
                           z3="9.15267"
                           zFract="0.3509529"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.99053"
                           xFract="0.44678218"
                           y3="2.30969"
                           yFract="0.44678346"
                           z3="9.7742"
                           zFract="0.38649422"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47543"
                           xFract="0.44678362"
                           y3="4.89448"
                           yFract="0.94678191"
                           z3="9.95663"
                           zFract="0.38649414"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97149"
                           xFract="0.94678285"
                           y3="2.30969"
                           yFract="0.44678346"
                           z3="9.95663"
                           zFract="0.38649413"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45638"
                           xFract="0.94678262"
                           y3="4.89448"
                           yFract="0.94678191"
                           z3="10.13907"
                           zFract="0.38649448"/>
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                  <bondArray>
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                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20867"
                           xFract="0.13532338"
                           y3="0.69957"
                           yFract="0.13532392"
                           z3="6.17515"
                           zFract="0.24856598"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69357"
                           xFract="0.13532386"
                           y3="3.28437"
                           yFract="0.63532431"
                           z3="6.35759"
                           zFract="0.2485663"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18963"
                           xFract="0.63532405"
                           y3="0.69957"
                           yFract="0.13532392"
                           z3="6.35759"
                           zFract="0.2485663"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67453"
                           xFract="0.63532453"
                           y3="3.28437"
                           yFract="0.63532431"
                           z3="6.54002"
                           zFract="0.24856621"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.55039"
                           xFract="0.28554393"
                           y3="1.47614"
                           yFract="0.28554262"
                           z3="8.79294"
                           zFract="0.35116717"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03528"
                           xFract="0.28554273"
                           y3="4.06094"
                           yFract="0.78554301"
                           z3="8.97537"
                           zFract="0.3511671"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.53134"
                           xFract="0.78554293"
                           y3="1.47614"
                           yFract="0.28554262"
                           z3="8.97537"
                           zFract="0.3511671"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01624"
                           xFract="0.78554341"
                           y3="4.06094"
                           yFract="0.78554301"
                           z3="9.15781"
                           zFract="0.35116741"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.98949"
                           xFract="0.44666555"
                           y3="2.30909"
                           yFract="0.4466674"
                           z3="9.77816"
                           zFract="0.38665968"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47439"
                           xFract="0.446667"
                           y3="4.89388"
                           yFract="0.94666585"
                           z3="9.9606"
                           zFract="0.38666001"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.97045"
                           xFract="0.94666623"
                           y3="2.30909"
                           yFract="0.4466674"
                           z3="9.9606"
                           zFract="0.38666"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45534"
                           xFract="0.94666599"
                           y3="4.89388"
                           yFract="0.94666585"
                           z3="10.14303"
                           zFract="0.38665995"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
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                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
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                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
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                  <atomArray>
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                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
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                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
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                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
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                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20946"
                           xFract="0.13541157"
                           y3="0.70003"
                           yFract="0.1354129"
                           z3="6.1802"
                           zFract="0.24876992"/>
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                           id="a10"
                           x3="2.69436"
                           xFract="0.13541301"
                           y3="3.28482"
                           yFract="0.63541136"
                           z3="6.36263"
                           zFract="0.24876984"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.19042"
                           xFract="0.63541224"
                           y3="0.70003"
                           yFract="0.1354129"
                           z3="6.36263"
                           zFract="0.24876983"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67531"
                           xFract="0.635412"
                           y3="3.28482"
                           yFract="0.63541136"
                           z3="6.54507"
                           zFract="0.24877018"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54783"
                           xFract="0.28525715"
                           y3="1.47466"
                           yFract="0.28525633"
                           z3="8.80322"
                           zFract="0.35159624"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03273"
                           xFract="0.28525763"
                           y3="4.05946"
                           yFract="0.78525672"
                           z3="8.98565"
                           zFract="0.35159615"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52879"
                           xFract="0.78525782"
                           y3="1.47466"
                           yFract="0.28525633"
                           z3="8.98565"
                           zFract="0.35159615"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01369"
                           xFract="0.7852583"
                           y3="4.05946"
                           yFract="0.78525672"
                           z3="9.16808"
                           zFract="0.35159605"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.98741"
                           xFract="0.44643327"
                           y3="2.30788"
                           yFract="0.44643334"
                           z3="9.78608"
                           zFract="0.38699063"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47231"
                           xFract="0.44643374"
                           y3="4.89268"
                           yFract="0.94643373"
                           z3="9.96852"
                           zFract="0.38699094"/>
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                           id="a19"
                           x3="6.96837"
                           xFract="0.94643394"
                           y3="2.30788"
                           yFract="0.44643334"
                           z3="9.96852"
                           zFract="0.38699094"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.45327"
                           xFract="0.94643441"
                           y3="4.89268"
                           yFract="0.94643373"
                           z3="10.15095"
                           zFract="0.38699085"/>
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                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
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                     <bond atomRefs2="a16 a20" order="S"/>
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                     <bond atomRefs2="a16 a18" order="S"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
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                  <crystal>
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ag"
                           id="a1"
                           x3="3.00146"
                           xFract="0.33604563"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.46751"
                           zFract="0.04999987"/>
                     <atom elementType="Ag"
                           id="a2"
                           x3="4.48636"
                           xFract="0.33604611"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a3"
                           x3="5.98242"
                           xFract="0.8360463"
                           y3="1.73722"
                           yFract="0.3360456"
                           z3="1.64995"
                           zFract="0.05000019"/>
                     <atom elementType="Ag"
                           id="a4"
                           x3="7.46732"
                           xFract="0.83604678"
                           y3="4.32202"
                           yFract="0.83604599"
                           z3="1.83238"
                           zFract="0.05000009"/>
                     <atom elementType="Ag"
                           id="a5"
                           x3="4.34121"
                           xFract="0.48604463"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.02155"
                           zFract="0.14999981"/>
                     <atom elementType="Ag"
                           id="a6"
                           x3="5.82611"
                           xFract="0.48604607"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.20399"
                           zFract="0.15000014"/>
                     <atom elementType="Ag"
                           id="a7"
                           x3="7.32217"
                           xFract="0.9860453"
                           y3="2.51266"
                           yFract="0.48604572"
                           z3="4.20399"
                           zFract="0.15000013"/>
                     <atom elementType="Ag"
                           id="a8"
                           x3="8.80706"
                           xFract="0.98604507"
                           y3="5.09745"
                           yFract="0.98604417"
                           z3="4.38642"
                           zFract="0.15000008"/>
                     <atom elementType="Ag"
                           id="a9"
                           x3="1.20888"
                           xFract="0.13534704"
                           y3="0.69969"
                           yFract="0.13534713"
                           z3="6.18342"
                           zFract="0.24890358"/>
                     <atom elementType="Ag"
                           id="a10"
                           x3="2.69378"
                           xFract="0.13534752"
                           y3="3.28449"
                           yFract="0.63534752"
                           z3="6.36585"
                           zFract="0.24890349"/>
                     <atom elementType="Ag"
                           id="a11"
                           x3="4.18984"
                           xFract="0.63534771"
                           y3="0.69969"
                           yFract="0.13534713"
                           z3="6.36585"
                           zFract="0.24890349"/>
                     <atom elementType="Ag"
                           id="a12"
                           x3="5.67474"
                           xFract="0.63534819"
                           y3="3.28449"
                           yFract="0.63534752"
                           z3="6.54828"
                           zFract="0.2489034"/>
                     <atom elementType="Ag"
                           id="a13"
                           x3="2.54836"
                           xFract="0.28531618"
                           y3="1.47497"
                           yFract="0.2853163"
                           z3="8.80385"
                           zFract="0.35162024"/>
                     <atom elementType="Ag"
                           id="a14"
                           x3="4.03326"
                           xFract="0.28531665"
                           y3="4.05977"
                           yFract="0.78531669"
                           z3="8.98629"
                           zFract="0.35162055"/>
                     <atom elementType="Ag"
                           id="a15"
                           x3="5.52932"
                           xFract="0.78531685"
                           y3="1.47497"
                           yFract="0.2853163"
                           z3="8.98629"
                           zFract="0.35162055"/>
                     <atom elementType="Ag"
                           id="a16"
                           x3="7.01422"
                           xFract="0.78531733"
                           y3="4.05977"
                           yFract="0.78531669"
                           z3="9.16872"
                           zFract="0.35162046"/>
                     <atom elementType="H"
                           id="a17"
                           x3="3.98574"
                           xFract="0.44624566"
                           y3="2.30692"
                           yFract="0.44624764"
                           z3="9.79031"
                           zFract="0.38716923"/>
                     <atom elementType="H"
                           id="a18"
                           x3="5.47064"
                           xFract="0.4462471"
                           y3="4.89171"
                           yFract="0.94624609"
                           z3="9.97275"
                           zFract="0.38716956"/>
                     <atom elementType="H"
                           id="a19"
                           x3="6.9667"
                           xFract="0.94624633"
                           y3="2.30692"
                           yFract="0.44624764"
                           z3="9.97275"
                           zFract="0.38716955"/>
                     <atom elementType="H"
                           id="a20"
                           x3="8.4516"
                           xFract="0.94624777"
                           y3="4.89171"
                           yFract="0.94624609"
                           z3="10.15518"
                           zFract="0.38716947"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a19" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a20" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="H4Ag16">
                     <atomArray count="4 16" elementType="H Ag"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1725.8911999999996</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="20">-0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="20">-0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="20">-0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="20">-0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">-0.000</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-28.82103333</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-28.79702793</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-28.81303153</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-6.0162</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3428278E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.97306625061534</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.973065633740852</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.445825</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="3.00146"
                        xFract="0.33604563"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.46751"
                        zFract="0.04999987"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="4.48636"
                        xFract="0.33604611"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.64995"
                        zFract="0.05000019"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.98242"
                        xFract="0.8360463"
                        y3="1.73722"
                        yFract="0.3360456"
                        z3="1.64995"
                        zFract="0.05000019"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="7.46732"
                        xFract="0.83604678"
                        y3="4.32202"
                        yFract="0.83604599"
                        z3="1.83238"
                        zFract="0.05000009"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.34121"
                        xFract="0.48604463"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.02155"
                        zFract="0.14999981"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="5.82611"
                        xFract="0.48604607"
                        y3="5.09745"
                        yFract="0.98604417"
                        z3="4.20399"
                        zFract="0.15000014"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="7.32217"
                        xFract="0.9860453"
                        y3="2.51266"
                        yFract="0.48604572"
                        z3="4.20399"
                        zFract="0.15000013"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="8.80706"
                        xFract="0.98604507"
                        y3="5.09745"
                        yFract="0.98604417"
                        z3="4.38642"
                        zFract="0.15000008"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="1.20888"
                        xFract="0.13534704"
                        y3="0.69969"
                        yFract="0.13534713"
                        z3="6.18342"
                        zFract="0.24890358"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="2.69378"
                        xFract="0.13534752"
                        y3="3.28449"
                        yFract="0.63534752"
                        z3="6.36585"
                        zFract="0.24890349"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="4.18984"
                        xFract="0.63534771"
                        y3="0.69969"
                        yFract="0.13534713"
                        z3="6.36585"
                        zFract="0.24890349"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.67474"
                        xFract="0.63534819"
                        y3="3.28449"
                        yFract="0.63534752"
                        z3="6.54828"
                        zFract="0.2489034"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="2.54836"
                        xFract="0.28531618"
                        y3="1.47497"
                        yFract="0.2853163"
                        z3="8.80385"
                        zFract="0.35162024"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.03326"
                        xFract="0.28531665"
                        y3="4.05977"
                        yFract="0.78531669"
                        z3="8.98629"
                        zFract="0.35162055"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="5.52932"
                        xFract="0.78531685"
                        y3="1.47497"
                        yFract="0.2853163"
                        z3="8.98629"
                        zFract="0.35162055"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="7.01422"
                        xFract="0.78531733"
                        y3="4.05977"
                        yFract="0.78531669"
                        z3="9.16872"
                        zFract="0.35162046"/>
                  <atom elementType="H"
                        id="a17"
                        x3="3.98574"
                        xFract="0.44624566"
                        y3="2.30692"
                        yFract="0.44624764"
                        z3="9.79031"
                        zFract="0.38716923"/>
                  <atom elementType="H"
                        id="a18"
                        x3="5.47064"
                        xFract="0.4462471"
                        y3="4.89171"
                        yFract="0.94624609"
                        z3="9.97275"
                        zFract="0.38716956"/>
                  <atom elementType="H"
                        id="a19"
                        x3="6.9667"
                        xFract="0.94624633"
                        y3="2.30692"
                        yFract="0.44624764"
                        z3="9.97275"
                        zFract="0.38716955"/>
                  <atom elementType="H"
                        id="a20"
                        x3="8.4516"
                        xFract="0.94624777"
                        y3="4.89171"
                        yFract="0.94624609"
                        z3="10.15518"
                        zFract="0.38716947"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H4Ag16">
                  <atomArray count="4 16" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1725.8911999999996</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
