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        xmlns:xi="http://www.w3.org/2001/XInclude"
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                  <bond atomRefs2="a92 a95" order="S"/>
                  <bond atomRefs2="a92 a101" order="S"/>
                  <bond atomRefs2="a92 a106" order="S"/>
                  <bond atomRefs2="a92 a127" order="S"/>
                  <bond atomRefs2="a92 a141" order="S"/>
                  <bond atomRefs2="a92 a138" order="S"/>
                  <bond atomRefs2="a93 a96" order="S"/>
                  <bond atomRefs2="a93 a124" order="S"/>
                  <bond atomRefs2="a93 a131" order="S"/>
                  <bond atomRefs2="a93 a130" order="S"/>
                  <bond atomRefs2="a93 a94" order="S"/>
                  <bond atomRefs2="a94 a96" order="S"/>
                  <bond atomRefs2="a94 a132" order="S"/>
                  <bond atomRefs2="a94 a131" order="S"/>
                  <bond atomRefs2="a94 a129" order="S"/>
                  <bond atomRefs2="a94 a95" order="S"/>
                  <bond atomRefs2="a95 a106" order="S"/>
                  <bond atomRefs2="a95 a142" order="S"/>
                  <bond atomRefs2="a95 a141" order="S"/>
                  <bond atomRefs2="a95 a105" order="S"/>
                  <bond atomRefs2="a95 a96" order="S"/>
                  <bond atomRefs2="a95 a132" order="S"/>
                  <bond atomRefs2="a96 a133" order="S"/>
                  <bond atomRefs2="a96 a131" order="S"/>
                  <bond atomRefs2="a96 a142" order="S"/>
                  <bond atomRefs2="a96 a105" order="S"/>
                  <bond atomRefs2="a97 a102" order="S"/>
                  <bond atomRefs2="a97 a134" order="S"/>
                  <bond atomRefs2="a97 a100" order="S"/>
                  <bond atomRefs2="a97 a140" order="S"/>
                  <bond atomRefs2="a97 a98" order="S"/>
                  <bond atomRefs2="a97 a135" order="S"/>
                  <bond atomRefs2="a97 a103" order="S"/>
                  <bond atomRefs2="a98 a136" order="S"/>
                  <bond atomRefs2="a98 a99" order="S"/>
                  <bond atomRefs2="a98 a135" order="S"/>
                  <bond atomRefs2="a98 a100" order="S"/>
                  <bond atomRefs2="a99 a110" order="S"/>
                  <bond atomRefs2="a99 a136" order="S"/>
                  <bond atomRefs2="a99 a100" order="S"/>
                  <bond atomRefs2="a100 a110" order="S"/>
                  <bond atomRefs2="a100 a113" order="S"/>
                  <bond atomRefs2="a100 a135" order="S"/>
                  <bond atomRefs2="a100 a103" order="S"/>
                  <bond atomRefs2="a101 a102" order="S"/>
                  <bond atomRefs2="a101 a107" order="S"/>
                  <bond atomRefs2="a101 a106" order="S"/>
                  <bond atomRefs2="a101 a144" order="S"/>
                  <bond atomRefs2="a101 a104" order="S"/>
                  <bond atomRefs2="a101 a139" order="S"/>
                  <bond atomRefs2="a101 a138" order="S"/>
                  <bond atomRefs2="a102 a139" order="S"/>
                  <bond atomRefs2="a102 a103" order="S"/>
                  <bond atomRefs2="a102 a104" order="S"/>
                  <bond atomRefs2="a102 a137" order="S"/>
                  <bond atomRefs2="a102 a140" order="S"/>
                  <bond atomRefs2="a103 a104" order="S"/>
                  <bond atomRefs2="a103 a113" order="S"/>
                  <bond atomRefs2="a103 a140" order="S"/>
                  <bond atomRefs2="a104 a107" order="S"/>
                  <bond atomRefs2="a104 a139" order="S"/>
                  <bond atomRefs2="a105 a142" order="S"/>
                  <bond atomRefs2="a105 a108" order="S"/>
                  <bond atomRefs2="a105 a143" order="S"/>
                  <bond atomRefs2="a105 a106" order="S"/>
                  <bond atomRefs2="a106 a107" order="S"/>
                  <bond atomRefs2="a106 a144" order="S"/>
                  <bond atomRefs2="a106 a108" order="S"/>
                  <bond atomRefs2="a106 a143" order="S"/>
                  <bond atomRefs2="a106 a141" order="S"/>
                  <bond atomRefs2="a107 a144" order="S"/>
                  <bond atomRefs2="a107 a108" order="S"/>
                  <bond atomRefs2="a108 a143" order="S"/>
                  <bond atomRefs2="a109 a111" order="S"/>
                  <bond atomRefs2="a110 a113" order="S"/>
                  <bond atomRefs2="a110 a136" order="S"/>
                  <bond atomRefs2="a110 a135" order="S"/>
                  <bond atomRefs2="a111 a122" order="S"/>
                  <bond atomRefs2="a111 a125" order="S"/>
                  <bond atomRefs2="a111 a116" order="S"/>
                  <bond atomRefs2="a112 a119" order="S"/>
                  <bond atomRefs2="a112 a118" order="S"/>
                  <bond atomRefs2="a113 a140" order="S"/>
                  <bond atomRefs2="a113 a135" order="S"/>
                  <bond atomRefs2="a114 a115" order="S"/>
                  <bond atomRefs2="a114 a120" order="S"/>
                  <bond atomRefs2="a114 a117" order="S"/>
                  <bond atomRefs2="a115 a126" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a115 a120" order="S"/>
                  <bond atomRefs2="a115 a129" order="S"/>
                  <bond atomRefs2="a116 a126" order="S"/>
                  <bond atomRefs2="a116 a125" order="S"/>
                  <bond atomRefs2="a117 a119" order="S"/>
                  <bond atomRefs2="a117 a120" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a119 a130" order="S"/>
                  <bond atomRefs2="a120 a130" order="S"/>
                  <bond atomRefs2="a120 a129" order="S"/>
                  <bond atomRefs2="a121 a123" order="S"/>
                  <bond atomRefs2="a121 a122" order="S"/>
                  <bond atomRefs2="a122 a125" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a122 a128" order="S"/>
                  <bond atomRefs2="a123 a134" order="S"/>
                  <bond atomRefs2="a123 a137" order="S"/>
                  <bond atomRefs2="a123 a128" order="S"/>
                  <bond atomRefs2="a124 a133" order="S"/>
                  <bond atomRefs2="a124 a131" order="S"/>
                  <bond atomRefs2="a124 a130" order="S"/>
                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a125 a128" order="S"/>
                  <bond atomRefs2="a125 a127" order="S"/>
                  <bond atomRefs2="a126 a132" order="S"/>
                  <bond atomRefs2="a126 a129" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a127 a141" order="S"/>
                  <bond atomRefs2="a127 a138" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a127 a132" order="S"/>
                  <bond atomRefs2="a128 a137" order="S"/>
                  <bond atomRefs2="a128 a138" order="S"/>
                  <bond atomRefs2="a129 a132" order="S"/>
                  <bond atomRefs2="a129 a131" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a130 a131" order="S"/>
                  <bond atomRefs2="a131 a132" order="S"/>
                  <bond atomRefs2="a131 a133" order="S"/>
                  <bond atomRefs2="a131 a142" order="S"/>
                  <bond atomRefs2="a132 a142" order="S"/>
                  <bond atomRefs2="a132 a141" order="S"/>
                  <bond atomRefs2="a133 a142" order="S"/>
                  <bond atomRefs2="a134 a135" order="S"/>
                  <bond atomRefs2="a134 a140" order="S"/>
                  <bond atomRefs2="a134 a137" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a135 a140" order="S"/>
                  <bond atomRefs2="a137 a140" order="S"/>
                  <bond atomRefs2="a137 a139" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a138 a144" order="S"/>
                  <bond atomRefs2="a138 a141" order="S"/>
                  <bond atomRefs2="a139 a144" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a141 a144" order="S"/>
                  <bond atomRefs2="a141 a143" order="S"/>
                  <bond atomRefs2="a142 a143" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a145 a161" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a145 a162" order="S"/>
                  <bond atomRefs2="a145 a163" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a146 a151" order="S"/>
                  <bond atomRefs2="a147 a154" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a148 a155" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a149 a153" order="S"/>
                  <bond atomRefs2="a150 a156" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
                  <bond atomRefs2="a152 a157" order="S"/>
                  <bond atomRefs2="a152 a158" order="S"/>
                  <bond atomRefs2="a153 a159" order="S"/>
                  <bond atomRefs2="a153 a160" order="S"/>
               </bondArray>
               <formula concise="C7H10N2Ag144">
                  <atomArray count="7 10 2 144" elementType="C H N Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">15645.109100000052</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</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">0.1500</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">1632.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</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>
               </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="4">PAW_PBE Ag 02Apr2005|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Ag C N H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">107.87 12.01 14.00 1.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.00 4.00 5.00 1.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">144 7 2 10</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</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="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="4920">-18.1795 -17.8110 -15.5459 -13.7651 -13.0350 -11.5948 -10.1956 -9.5179 -8.1251 -8.0803 -7.0037 -6.5474 -6.0915 -6.0378 -5.6251 -5.4107 -5.4021 -5.3832 -5.3810 -5.3778 -5.3736 -5.3617 -5.2067 -5.1544 -4.9710 -4.9706 -4.9701 -4.9374 -4.8848 -4.8833 -4.8831 -4.8094 -4.8070 -4.8053 -4.7866 -4.7658 -4.7621 -4.7612 -4.7608 -4.7597 -4.7594 -4.7308 -4.7255 -4.7244 -4.7236 -4.7231 -4.7224 -4.7058 -4.6761 -4.6750 -4.6661 -4.6657 -4.6623 -4.6411 -4.6357 -4.6334 -4.6327 -4.6299 -4.6266 -4.6194 -4.6147 -4.6120 -4.6103 -4.6089 -4.6081 -4.5998 -4.5843 -4.5826 -4.5796 -4.5461 -4.5442 -4.5415 -4.5401 -4.5398 -4.5345 -4.5339 -4.5311 -4.5294 -4.5285 -4.5279 -4.5271 -4.5212 -4.5191 -4.5180 -4.5172 -4.5134 -4.5128 -4.5099 -4.5092 -4.5084 -4.5068 -4.5041 -4.5034 -4.5030 -4.5024 -4.4984 -4.4963 -4.4955 -4.4933 -4.4931 -4.4907 -4.4869 -4.4864 -4.4847 -4.4829 -4.4822 -4.4814 -4.4758 -4.4751 -4.4709 -4.4518 -4.4456 -4.4444 -4.4348 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                  <bond atomRefs2="a117 a119" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a119 a130" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a120 a130" order="S"/>
                  <bond atomRefs2="a120 a129" order="S"/>
                  <bond atomRefs2="a121 a124" order="S"/>
                  <bond atomRefs2="a121 a123" order="S"/>
                  <bond atomRefs2="a121 a122" order="S"/>
                  <bond atomRefs2="a122 a125" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a122 a128" order="S"/>
                  <bond atomRefs2="a123 a134" order="S"/>
                  <bond atomRefs2="a123 a124" order="S"/>
                  <bond atomRefs2="a123 a137" order="S"/>
                  <bond atomRefs2="a123 a128" order="S"/>
                  <bond atomRefs2="a124 a134" order="S"/>
                  <bond atomRefs2="a124 a133" order="S"/>
                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a125 a128" order="S"/>
                  <bond atomRefs2="a125 a127" order="S"/>
                  <bond atomRefs2="a126 a132" order="S"/>
                  <bond atomRefs2="a126 a129" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a127 a141" order="S"/>
                  <bond atomRefs2="a127 a138" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a127 a132" order="S"/>
                  <bond atomRefs2="a128 a137" order="S"/>
                  <bond atomRefs2="a128 a138" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a129 a132" order="S"/>
                  <bond atomRefs2="a129 a131" order="S"/>
                  <bond atomRefs2="a130 a131" order="S"/>
                  <bond atomRefs2="a131 a132" order="S"/>
                  <bond atomRefs2="a131 a142" order="S"/>
                  <bond atomRefs2="a132 a142" order="S"/>
                  <bond atomRefs2="a132 a141" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a133 a136" order="S"/>
                  <bond atomRefs2="a133 a135" order="S"/>
                  <bond atomRefs2="a134 a140" order="S"/>
                  <bond atomRefs2="a134 a135" order="S"/>
                  <bond atomRefs2="a134 a137" order="S"/>
                  <bond atomRefs2="a135 a140" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a137 a140" order="S"/>
                  <bond atomRefs2="a137 a139" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a138 a144" order="S"/>
                  <bond atomRefs2="a138 a141" order="S"/>
                  <bond atomRefs2="a139 a144" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a141 a144" order="S"/>
                  <bond atomRefs2="a141 a143" order="S"/>
                  <bond atomRefs2="a142 a143" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a145 a161" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a145 a162" order="S"/>
                  <bond atomRefs2="a145 a163" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a146 a151" order="S"/>
                  <bond atomRefs2="a147 a154" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a148 a155" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a149 a153" order="S"/>
                  <bond atomRefs2="a150 a156" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
                  <bond atomRefs2="a152 a157" order="S"/>
                  <bond atomRefs2="a152 a158" order="S"/>
                  <bond atomRefs2="a153 a159" order="S"/>
                  <bond atomRefs2="a153 a160" order="S"/>
               </bondArray>
               <formula concise="C7H10N2Ag144">
                  <atomArray count="7 10 2 144" elementType="C H N Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">15645.109100000052</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
