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                  <bond atomRefs2="a65 a69" order="S"/>
                  <bond atomRefs2="a65 a83" order="S"/>
                  <bond atomRefs2="a66 a84" order="S"/>
                  <bond atomRefs2="a66 a70" order="S"/>
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                  <bond atomRefs2="a70 a80" order="S"/>
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                  <bond atomRefs2="a71 a73" order="S"/>
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                  <bond atomRefs2="a77 a87" order="S"/>
                  <bond atomRefs2="a78 a88" order="S"/>
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               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">7119.734399999991</scalar>
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            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
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               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
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               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
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               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
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               <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">
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               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">784.0000</scalar>
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               <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>
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               <parameter dictRef="v:sigma">
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               <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">PE</scalar>
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               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
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               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
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               <parameter dictRef="v:lhfcalc">
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               <parameter dictRef="v:lhfone">
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               <parameter dictRef="v:aexx">
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                         dictRef="v:pseudopotential"
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         <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">-345.12638046</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-345.10083805</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-345.11360925</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.3700</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.6521894E-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">32.108954</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"/>
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                        id="a2"
                        x3="10.157764"
                        xFract="1.0000"
                        y3="2.51339475"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a3"
                        x3="1.45110925"
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        y3="0.0000"
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.33333333"
                        y3="1.6755965"
                        yFract="0.16666667"
                        z3="2.36965127"
                        zFract="0.07380033"/>
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                        x3="1.45110933"
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                        y3="4.18899125"
                        yFract="0.41666667"
                        z3="2.36965127"
                        zFract="0.07380033"/>
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                        x3="0.00000008"
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                        yFract="0.16666667"
                        z3="2.36965127"
                        zFract="0.07380033"/>
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                        id="a9"
                        x3="0.00207164"
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                        y3="3.35995259"
                        yFract="0.33420462"
                        z3="4.71344218"
                        zFract="0.14679526"/>
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                        id="a10"
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                        y3="0.848516"
                        yFract="0.0843994"
                        z3="4.69278046"
                        zFract="0.14615177"/>
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                        id="a11"
                        x3="4.3639474"
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                        y3="0.84268514"
                        yFract="0.08381942"
                        z3="4.69454672"
                        zFract="0.14620678"/>
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                        id="a12"
                        x3="2.89070348"
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                        y3="3.34659792"
                        yFract="0.33287627"
                        z3="4.71313566"
                        zFract="0.14678571"/>
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                        id="a13"
                        x3="2.9421831"
                        xFract="0.50553199"
                        y3="5.06880132"
                        yFract="0.50417879"
                        z3="7.0246053"
                        zFract="0.21877403"/>
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                        id="a14"
                        x3="4.36687353"
                        xFract="0.50045016"
                        y3="2.49898387"
                        yFract="0.24856659"
                        z3="7.04037666"
                        zFract="0.21926521"/>
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                        y3="2.44257074"
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                        z3="7.04355445"
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                        z3="7.03008047"
                        zFract="0.21894455"/>
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                        xFract="1.0000"
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                        yFract="0.5000"
                        z3="0.0000"
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                  <bond atomRefs2="a57 a58" order="S"/>
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                  <bond atomRefs2="a58 a63" order="S"/>
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                  <bond atomRefs2="a59 a60" order="S"/>
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                  <bond atomRefs2="a60 a61" order="S"/>
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                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a65 a69" order="S"/>
                  <bond atomRefs2="a65 a83" order="S"/>
                  <bond atomRefs2="a66 a84" order="S"/>
                  <bond atomRefs2="a66 a70" order="S"/>
                  <bond atomRefs2="a67 a71" order="S"/>
                  <bond atomRefs2="a67 a77" order="S"/>
                  <bond atomRefs2="a68 a72" order="S"/>
                  <bond atomRefs2="a68 a78" order="S"/>
                  <bond atomRefs2="a69 a79" order="S"/>
                  <bond atomRefs2="a69 a70" order="S"/>
                  <bond atomRefs2="a69 a71" order="S"/>
                  <bond atomRefs2="a70 a80" order="S"/>
                  <bond atomRefs2="a70 a72" order="S"/>
                  <bond atomRefs2="a71 a73" order="S"/>
                  <bond atomRefs2="a72 a74" order="S"/>
                  <bond atomRefs2="a73 a75" order="S"/>
                  <bond atomRefs2="a73 a81" order="S"/>
                  <bond atomRefs2="a74 a82" order="S"/>
                  <bond atomRefs2="a74 a76" order="S"/>
                  <bond atomRefs2="a75 a85" order="S"/>
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                  <bond atomRefs2="a77 a87" order="S"/>
                  <bond atomRefs2="a78 a88" order="S"/>
               </bondArray>
               <formula concise="C10H10O4Ag64S">
                  <atomArray count="10 10 4 64 1" elementType="C H O Ag S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">7119.734399999991</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
