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               </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>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</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="3">PAW_PBE Ag 02Apr2005|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="3">Ag C H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">107.87 12.01 1.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.00 4.00 1.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">72 1 2</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList/>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.440152227</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">11.7286879983</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
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                        xFract="0.16666667"
                        y3="1.466086"
                        yFract="0.1250"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="6.22007611"
                        xFract="0.5000"
                        y3="1.466086"
                        yFract="0.1250"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="10.36679352"
                        xFract="0.83333333"
                        y3="1.466086"
                        yFract="0.1250"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a4"
                        x3="2.0733587"
                        xFract="0.16666667"
                        y3="4.398258"
                        yFract="0.3750"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.5000"
                        y3="4.398258"
                        yFract="0.3750"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a6"
                        x3="10.36679352"
                        xFract="0.83333333"
                        y3="4.398258"
                        yFract="0.3750"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a7"
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                        xFract="0.16666667"
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                        yFract="0.6250"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.5000"
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        y3="7.33043"
                        yFract="0.6250"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a10"
                        x3="2.0733587"
                        xFract="0.16666667"
                        y3="10.262602"
                        yFract="0.8750"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="6.22007611"
                        xFract="0.5000"
                        y3="10.262602"
                        yFract="0.8750"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="10.36679352"
                        xFract="0.83333333"
                        y3="10.262602"
                        yFract="0.8750"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.466086"
                        zFract="0.0733043"/>
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                        x3="4.14671741"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.466086"
                        zFract="0.0733043"/>
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                        id="a15"
                        x3="8.29343482"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.466086"
                        zFract="0.0733043"/>
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                        xFract="0.0000"
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                        yFract="0.2500"
                        z3="1.466086"
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                        z3="1.466086"
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                        xFract="0.66666667"
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                        yFract="0.2500"
                        z3="1.466086"
                        zFract="0.0733043"/>
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                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.864344"
                        yFract="0.5000"
                        z3="1.466086"
                        zFract="0.0733043"/>
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                        yFract="0.5000"
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                        y3="5.864344"
                        yFract="0.5000"
                        z3="1.466086"
                        zFract="0.0733043"/>
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                        xFract="0.0000"
                        y3="8.796516"
                        yFract="0.7500"
                        z3="1.466086"
                        zFract="0.0733043"/>
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                        zFract="0.0733043"/>
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                        y3="8.796516"
                        yFract="0.7500"
                        z3="1.466086"
                        zFract="0.0733043"/>
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                        y3="1.466086"
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                        z3="2.932172"
                        zFract="0.1466086"/>
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                        y3="1.466086"
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                        zFract="0.1466086"/>
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         </module>
      </module>
   </module>
</module>
