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                  <bond atomRefs2="a47 a65" order="S"/>
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                  <bond atomRefs2="a50 a119" order="S"/>
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                  <bond atomRefs2="a55 a76" order="S"/>
                  <bond atomRefs2="a56 a63" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a56 a90" order="S"/>
                  <bond atomRefs2="a57 a67" order="S"/>
                  <bond atomRefs2="a57 a64" order="S"/>
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                  <bond atomRefs2="a57 a62" order="S"/>
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                  <bond atomRefs2="a60 a114" order="S"/>
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                  <bond atomRefs2="a61 a71" order="S"/>
                  <bond atomRefs2="a61 a96" order="S"/>
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                  <bond atomRefs2="a62 a64" order="S"/>
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                  <bond atomRefs2="a66 a73" order="S"/>
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                  <bond atomRefs2="a67 a116" order="S"/>
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                  <bond atomRefs2="a68 a76" order="S"/>
                  <bond atomRefs2="a68 a73" order="S"/>
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                  <bond atomRefs2="a70 a85" order="S"/>
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                  <bond atomRefs2="a71 a77" order="S"/>
                  <bond atomRefs2="a71 a88" order="S"/>
                  <bond atomRefs2="a71 a96" order="S"/>
                  <bond atomRefs2="a71 a94" order="S"/>
                  <bond atomRefs2="a72 a83" order="S"/>
                  <bond atomRefs2="a72 a86" order="S"/>
                  <bond atomRefs2="a72 a78" order="S"/>
                  <bond atomRefs2="a72 a113" order="S"/>
                  <bond atomRefs2="a73 a76" order="S"/>
                  <bond atomRefs2="a75 a93" order="S"/>
                  <bond atomRefs2="a75 a78" order="S"/>
                  <bond atomRefs2="a75 a86" order="S"/>
                  <bond atomRefs2="a75 a112" order="S"/>
                  <bond atomRefs2="a76 a95" order="S"/>
                  <bond atomRefs2="a76 a94" order="S"/>
                  <bond atomRefs2="a77 a85" order="S"/>
                  <bond atomRefs2="a77 a80" order="S"/>
                  <bond atomRefs2="a77 a87" order="S"/>
                  <bond atomRefs2="a77 a79" order="S"/>
                  <bond atomRefs2="a78 a86" order="S"/>
                  <bond atomRefs2="a78 a93" order="S"/>
                  <bond atomRefs2="a78 a79" order="S"/>
                  <bond atomRefs2="a78 a94" order="S"/>
                  <bond atomRefs2="a79 a94" order="S"/>
                  <bond atomRefs2="a79 a81" order="S"/>
                  <bond atomRefs2="a79 a89" order="S"/>
                  <bond atomRefs2="a79 a85" order="S"/>
                  <bond atomRefs2="a79 a87" order="S"/>
                  <bond atomRefs2="a80 a85" order="S"/>
                  <bond atomRefs2="a80 a82" order="S"/>
                  <bond atomRefs2="a81 a84" order="S"/>
                  <bond atomRefs2="a81 a89" order="S"/>
                  <bond atomRefs2="a81 a85" order="S"/>
                  <bond atomRefs2="a82 a87" order="S"/>
                  <bond atomRefs2="a82 a90" order="S"/>
                  <bond atomRefs2="a82 a85" order="S"/>
                  <bond atomRefs2="a83 a86" order="S"/>
                  <bond atomRefs2="a83 a84" order="S"/>
                  <bond atomRefs2="a83 a113" order="S"/>
                  <bond atomRefs2="a84 a89" order="S"/>
                  <bond atomRefs2="a85 a87" order="S"/>
                  <bond atomRefs2="a85 a89" order="S"/>
                  <bond atomRefs2="a86 a113" order="S"/>
                  <bond atomRefs2="a87 a90" order="S"/>
                  <bond atomRefs2="a87 a94" order="S"/>
                  <bond atomRefs2="a88 a96" order="S"/>
                  <bond atomRefs2="a88 a91" order="S"/>
                  <bond atomRefs2="a88 a92" order="S"/>
                  <bond atomRefs2="a88 a95" order="S"/>
                  <bond atomRefs2="a90 a96" order="S"/>
                  <bond atomRefs2="a91 a92" order="S"/>
                  <bond atomRefs2="a92 a96" order="S"/>
                  <bond atomRefs2="a93 a112" order="S"/>
                  <bond atomRefs2="a94 a95" order="S"/>
                  <bond atomRefs2="a97 a100" order="S"/>
                  <bond atomRefs2="a97 a99" order="S"/>
                  <bond atomRefs2="a97 a108" order="S"/>
                  <bond atomRefs2="a98 a101" order="S"/>
                  <bond atomRefs2="a98 a99" order="S"/>
                  <bond atomRefs2="a98 a103" order="S"/>
                  <bond atomRefs2="a99 a106" order="S"/>
                  <bond atomRefs2="a100 a104" order="S"/>
                  <bond atomRefs2="a100 a118" order="S"/>
                  <bond atomRefs2="a101 a102" order="S"/>
                  <bond atomRefs2="a101 a121" order="S"/>
                  <bond atomRefs2="a101 a105" order="S"/>
                  <bond atomRefs2="a102 a110" order="S"/>
                  <bond atomRefs2="a102 a109" order="S"/>
                  <bond atomRefs2="a102 a107" order="S"/>
                  <bond atomRefs2="a103 a104" order="S"/>
                  <bond atomRefs2="a103 a111" order="S"/>
                  <bond atomRefs2="a104 a117" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
               </bondArray>
               <formula concise="C8H16OAg96">
                  <atomArray count="8 16 1 96" elementType="C H O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10467.432200000016</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C8H10O.96Ag.6H/c1-7(9)8-5-3-2-4-6-8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-7,9H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:102,100,97,104,99,103,101,98,121;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;112;113;114;115;116;119/E:(3,4)(5,6);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:2.3,3.3,4.3,5.3,6.3,8.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:121AgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgC3C3C3C3CCC3C3HHHHHHHH3H3H3H3H3HHH3HO/rB:;s1;s2;s3s4;;;s4s5;s7s8;s1s3s5s8;s2s4s5;s2;s7;s1s3s7s8s9s10;s6;s6s9s15;;s3s5s11;s2;s2s11s19;s3s4s5s8s9s14s18;s6s7s9;s6s16s22;s4s9s12s16s21;;s4s5s11;s25;s25s27;s12s24;s2s12s19s20;s11s18s20s30;s15s16;s9s15s24s29s32;s2s4s11s12s18s21s24s29s30s31;s32;s12s35;s5s8s10s26;s2s4s26;s38;s26s38s39;s23;s22;s38s39s40;s38s42s43;s26s37s40s43;s4s8s9s16s22s24s42s44;s16s32s35s36;s39s40;s7s9s13s14s33;s16s23s41s47;s19;s2s12s19s36;s17;s2s11s20s26s38s40s48;s25s27s28s51;s25s48s51s55;;s38s39s44s52;s27s39s48s51s55s56;s6s13s15;;s41s44s50s57s58;s19s20s48s51s54s56;s36s47s50s52s57s58s62;s2s4s12s24s44s46s47s50s52s58s64;s2s19s38s39s48s51s52s54s58s59s63;s36s57s64;s17s57s67;s39s57s58;s40s43s45;s27s61;;s51s52s58s59s66s68s69;s4s8s26s37s38s42s43s44s45s46;s17s57s68s69;s27s55s59s68s69s73;s61s71;s72s75;s69s77s78;s61s70s77;s39s43s44s58s62s69s79;s39s40s48s61s70s80;s41s62s72;s41s42s44s81s83;s39s43s70s77s79s80s81s82;s57s62s69s72s75s78s83;s27s39s59s61s71s77s79s82s85;s27s28s71;s79s81s84s85;s25s27s48s56s59s61s82s87;s28s88;s25s28s88s91;s17s53s75s78;s27s69s71s76s78s79s87;s27s28s53s76s88s94;s25s27s61s71s88s90s92;;;s97s98;s97;s98;s101;s98;s100s103;s101;s99;s102;s97;s102;s102;s103;s17s75s93;s72s83s86;s6s15s60;s32s35s47;s57s64s67;s104;s100;s23s41s50;;s101s120;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">5</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.0200</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">1110.0000</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: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="4">PAW_PBE Ag 06Sep2000|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Ag C H O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">107.868 12.011 1.000 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.000 4.000 1.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">96 8 16 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</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 5 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="8">1 2 3 4 5 6 7 8</array>
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
