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                  <bond atomRefs2="a47 a50" order="S"/>
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                  <bond atomRefs2="a47 a64" order="S"/>
                  <bond atomRefs2="a47 a115" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a63" order="S"/>
                  <bond atomRefs2="a48 a66" order="S"/>
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                  <bond atomRefs2="a48 a73" order="S"/>
                  <bond atomRefs2="a50 a62" order="S"/>
                  <bond atomRefs2="a50 a65" order="S"/>
                  <bond atomRefs2="a50 a64" order="S"/>
                  <bond atomRefs2="a50 a120" order="S"/>
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                  <bond atomRefs2="a53 a93" order="S"/>
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                  <bond atomRefs2="a54 a66" order="S"/>
                  <bond atomRefs2="a54 a63" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a55 a76" order="S"/>
                  <bond atomRefs2="a56 a63" order="S"/>
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                  <bond atomRefs2="a59 a66" order="S"/>
                  <bond atomRefs2="a59 a90" order="S"/>
                  <bond atomRefs2="a59 a87" order="S"/>
                  <bond atomRefs2="a59 a73" order="S"/>
                  <bond atomRefs2="a59 a76" order="S"/>
                  <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="a61 a87" order="S"/>
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                  <bond atomRefs2="a62 a64" order="S"/>
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                  <bond atomRefs2="a64 a67" order="S"/>
                  <bond atomRefs2="a64 a65" order="S"/>
                  <bond atomRefs2="a64 a116" order="S"/>
                  <bond atomRefs2="a66 a73" order="S"/>
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                  <bond atomRefs2="a67 a116" order="S"/>
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                  <bond atomRefs2="a69 a75" order="S"/>
                  <bond atomRefs2="a69 a86" order="S"/>
                  <bond atomRefs2="a70 a80" order="S"/>
                  <bond atomRefs2="a70 a85" order="S"/>
                  <bond atomRefs2="a70 a82" order="S"/>
                  <bond atomRefs2="a71 a87" order="S"/>
                  <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 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 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 a98" order="S"/>
                  <bond atomRefs2="a97 a99" order="S"/>
                  <bond atomRefs2="a98 a104" order="S"/>
                  <bond atomRefs2="a98 a118" order="S"/>
                  <bond atomRefs2="a99 a100" order="S"/>
                  <bond atomRefs2="a99 a105" order="S"/>
                  <bond atomRefs2="a100 a102" order="S"/>
                  <bond atomRefs2="a100 a101" order="S"/>
                  <bond atomRefs2="a101 a104" order="S"/>
                  <bond atomRefs2="a101 a111" order="S"/>
                  <bond atomRefs2="a102 a103" order="S"/>
                  <bond atomRefs2="a102 a121" order="S"/>
                  <bond atomRefs2="a102 a119" order="S"/>
                  <bond atomRefs2="a103 a107" order="S"/>
                  <bond atomRefs2="a103 a109" order="S"/>
                  <bond atomRefs2="a103 a110" order="S"/>
                  <bond atomRefs2="a104 a117" order="S"/>
                  <bond atomRefs2="a106 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/C8H9O.96Ag.7H/c1-7(9)8-5-3-2-4-6-8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-3,5-7,9H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:103,98,104,97,101,99,102,100,121;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;108;112;113;114;115;116;120/CRV:2.3,3.3,4.2,5.3,6.3,8.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:121AgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgC2C3C3C3C3CCC3HHHH0HHHH3H3H3H3H3HHHH3O/rB:;s1;s2;s3s4;;;s4s5;s7s8;s1s3s5s8;s2s4s5;s2;s7;s1s3s7s8s9s10;s6;s6s9s15;;s3s5s11;s2;s2s11s19;s3s4s5s8s9s14s18;s6s7s8s9;s6s16s22;s4s9s12s16s21;;s25;s12s24;s2s12s19s20;s11s18s20s28;s15s16;s9s15s24s27s30;s2s4s11s12s18s21s24s27s28s29;s30;s12s33;s25s26;s5s8s10;;s37;;s22;s37s38;s40s41;s36s38s41;s4s8s9s16s22s24s40s42;s2s4s37s38s41s42;s4s5s11s36s38s43s45;s16s30s33s34;s19;s7s9s13s14s31;s16s47;s37s38;s2s12s19s34;s17;s2s11s20s38s45s46s51;s25s26s35s48;s25s48s51s55;;s37s42s45s52;s35s37s48s51s55s56;s6s13s15;;s39s42s50s57s58;s19s20s48s51s54s56;s34s47s50s57s62;s12s24s42s44s47s50s52s58s64;s2s19s37s45s48s51s52s54s58s59s63;s34s64;s17s57s67;s37s57s58s59;s38s41s43;s35s61;;s48s52s58s59s66s68s69;s4s8s36s40s41s42s43s44s45s46;s17s57s68s69;s35s55s59s68s69s73;s61s71;s72s75;s69s77s78;s61s70s77;s37s41s42s58s62s69s79;s37s38s51s61s70s80;s39s62s72;s39s40s41s42s81s83;s37s41s70s77s79s80s81s82;s57s62s69s75s78;s35s37s59s61s71s77s79s82s85;s26s35s71;s79s81s84s85;s25s35s51s56s59s61s82s87;s26s88;s25s26s88s91;s17s53s75s78;s35s69s71s76s78s79s87;s26s35s53s76s88s94;s25s35s61s71s88s90s92;;s97;s97;s99;s100;s100;s102;s98s101;s99;;s103;;s103;s103;s101;s17s75s93;s72s83s86;s6s15s60;s30s33s47;s57s64s67;s104;s98;s102;s23s39s50;s102s106;/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>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="6400">-23.0079 -18.7851 -16.8609 -15.9444 -15.4556 -13.3563 -12.3147 -11.6182 -10.1748 -9.9815 -8.7943 -8.5089 -8.4745 -8.1990 -8.1260 -8.1223 -8.0144 -8.0054 -7.9795 -7.9577 -7.7065 -7.5595 -7.4583 -7.4571 -7.3895 -7.3238 -7.3236 -7.3216 -7.2394 -7.2382 -7.2356 -7.2000 -7.1930 -7.1919 -7.1363 -7.1354 -7.1340 -7.1222 -7.1210 -7.1036 -7.0902 -7.0892 -7.0753 -7.0610 -7.0388 -7.0378 -7.0377 -7.0363 -7.0159 -7.0135 -7.0055 -7.0040 -6.9730 -6.9728 -6.9636 -6.9625 -6.9610 -6.9588 -6.9491 -6.9488 -6.9449 -6.9422 -6.9403 -6.9319 -6.9293 -6.9285 -6.9271 -6.9156 -6.9152 -6.9122 -6.9120 -6.9084 -6.8957 -6.8951 -6.8940 -6.8882 -6.8728 -6.8721 -6.8635 -6.8606 -6.8597 -6.8544 -6.8441 -6.8426 -6.8248 -6.8238 -6.8220 -6.8182 -6.8119 -6.8118 -6.7915 -6.7892 -6.7534 -6.7367 -6.7343 -6.7261 -6.7088 -6.7014 -6.6951 -6.6936 -6.6871 -6.6836 -6.6830 -6.6815 -6.6802 -6.6795 -6.6775 -6.6745 -6.6732 -6.6722 -6.6659 -6.6389 -6.6372 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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
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         </module>
      </module>
   </module>
</module>
