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                  <bond atomRefs2="a58 a82" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a64" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a64" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a65 a70" order="S"/>
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                  <bond atomRefs2="a78 a82" order="S"/>
                  <bond atomRefs2="a79 a83" order="S"/>
               </bondArray>
               <formula concise="C5H4O2Ag64S8">
                  <atomArray count="5 4 2 64 8" elementType="C H O Ag S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">7252.13709999999</scalar>
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            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</scalar>
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               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
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               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">788.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
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               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.05</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</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>
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               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
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            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
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                         delimiter="|"
                         dictRef="v:pseudopotential"
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            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-295.78680669</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-295.75586893</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-295.77133781</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">1.7489</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5150267E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">11.608873</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">11.608872812953761</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.108954</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">120.0</scalar>
               </crystal>
               <atomArray>
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                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="7.25554575"
                        xFract="0.7500"
                        y3="2.51339475"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="8.70665475"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="8.70665483"
                        xFract="0.83333333"
                        y3="1.6755965"
                        yFract="0.16666667"
                        z3="2.36965128"
                        zFract="0.10718061"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.35332758"
                        xFract="0.58333333"
                        y3="4.18899125"
                        yFract="0.41666667"
                        z3="2.36965128"
                        zFract="0.10718061"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="5.80443658"
                        xFract="0.58333333"
                        y3="1.6755965"
                        yFract="0.16666667"
                        z3="2.36965128"
                        zFract="0.10718061"/>
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                        id="a7"
                        x3="5.83319239"
                        xFract="0.66944658"
                        y3="3.35728274"
                        yFract="0.33393906"
                        z3="4.7103971"
                        zFract="0.21305382"/>
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                        id="a8"
                        x3="7.2239611"
                        xFract="0.66474771"
                        y3="0.85391964"
                        yFract="0.08493688"
                        z3="4.72618771"
                        zFract="0.21376804"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="10.14048947"
                        xFract="0.91565729"
                        y3="0.84742269"
                        yFract="0.08429065"
                        z3="4.67131458"
                        zFract="0.2112861"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="8.70208399"
                        xFract="0.91674012"
                        y3="3.36058704"
                        yFract="0.33426773"
                        z3="4.67277598"
                        zFract="0.2113522"/>
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                        id="a11"
                        x3="-2.91346852"
                        xFract="-0.0016556"
                        y3="5.01298651"
                        yFract="0.49862706"
                        z3="6.98722196"
                        zFract="0.31603585"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="-1.39125646"
                        xFract="0.00936456"
                        y3="2.59802189"
                        yFract="0.25841761"
                        z3="6.94982135"
                        zFract="0.3143442"/>
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                        id="a13"
                        x3="7.28655643"
                        xFract="0.75253526"
                        y3="2.51065949"
                        yFract="0.24972793"
                        z3="7.1323212"
                        zFract="0.32259876"/>
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                        id="a14"
                        x3="2.81900973"
                        xFract="0.73963442"
                        y3="9.98927898"
                        yFract="0.99360427"
                        z3="6.9536096"
                        zFract="0.31451554"/>
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                        id="a15"
                        x3="2.9022185"
                        xFract="0.5000"
                        y3="5.0267895"
                        yFract="0.5000"
                        z3="0.0000"
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                  <bond atomRefs2="a52 a76" order="S"/>
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                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
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                  <bond atomRefs2="a56 a57" order="S"/>
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                  <bond atomRefs2="a58 a82" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a64" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a64" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a65 a70" order="S"/>
                  <bond atomRefs2="a65 a66" order="S"/>
                  <bond atomRefs2="a65 a75" order="S"/>
                  <bond atomRefs2="a66 a73" order="S"/>
                  <bond atomRefs2="a66 a67" order="S"/>
                  <bond atomRefs2="a67 a72" order="S"/>
                  <bond atomRefs2="a67 a68" order="S"/>
                  <bond atomRefs2="a68 a75" order="S"/>
                  <bond atomRefs2="a68 a69" order="S"/>
                  <bond atomRefs2="a69 a71" order="S"/>
                  <bond atomRefs2="a69 a74" order="S"/>
                  <bond atomRefs2="a76 a80" order="S"/>
                  <bond atomRefs2="a78 a82" order="S"/>
                  <bond atomRefs2="a79 a83" order="S"/>
               </bondArray>
               <formula concise="C5H4O2Ag64S8">
                  <atomArray count="5 4 2 64 8" elementType="C H O Ag S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">7252.13709999999</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
