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                  <bond atomRefs2="a48 a66" order="S"/>
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                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a48 a73" order="S"/>
                  <bond atomRefs2="a50 a74" order="S"/>
                  <bond atomRefs2="a50 a64" order="S"/>
                  <bond atomRefs2="a50 a65" order="S"/>
                  <bond atomRefs2="a50 a105" order="S"/>
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                  <bond atomRefs2="a52 a58" order="S"/>
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                  <bond atomRefs2="a52 a66" order="S"/>
                  <bond atomRefs2="a53 a91" order="S"/>
                  <bond atomRefs2="a53 a93" order="S"/>
                  <bond atomRefs2="a54 a66" order="S"/>
                  <bond atomRefs2="a54 a63" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a55 a96" order="S"/>
                  <bond atomRefs2="a56 a63" order="S"/>
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                  <bond atomRefs2="a57 a86" order="S"/>
                  <bond atomRefs2="a57 a75" order="S"/>
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                  <bond atomRefs2="a58 a80" order="S"/>
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                  <bond atomRefs2="a58 a66" order="S"/>
                  <bond atomRefs2="a58 a74" order="S"/>
                  <bond atomRefs2="a59 a69" order="S"/>
                  <bond atomRefs2="a59 a66" order="S"/>
                  <bond atomRefs2="a59 a85" order="S"/>
                  <bond atomRefs2="a59 a88" order="S"/>
                  <bond atomRefs2="a59 a73" order="S"/>
                  <bond atomRefs2="a59 a96" order="S"/>
                  <bond atomRefs2="a61 a94" order="S"/>
                  <bond atomRefs2="a61 a88" order="S"/>
                  <bond atomRefs2="a61 a71" order="S"/>
                  <bond atomRefs2="a61 a79" order="S"/>
                  <bond atomRefs2="a61 a81" order="S"/>
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                  <bond atomRefs2="a62 a113" order="S"/>
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                  <bond atomRefs2="a64 a74" order="S"/>
                  <bond atomRefs2="a64 a65" order="S"/>
                  <bond atomRefs2="a64 a118" order="S"/>
                  <bond atomRefs2="a66 a73" order="S"/>
                  <bond atomRefs2="a67 a68" order="S"/>
                  <bond atomRefs2="a67 a118" order="S"/>
                  <bond atomRefs2="a68 a75" order="S"/>
                  <bond atomRefs2="a68 a73" order="S"/>
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                  <bond atomRefs2="a69 a73" order="S"/>
                  <bond atomRefs2="a69 a96" order="S"/>
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                  <bond atomRefs2="a69 a86" order="S"/>
                  <bond atomRefs2="a70 a79" order="S"/>
                  <bond atomRefs2="a70 a81" order="S"/>
                  <bond atomRefs2="a70 a84" order="S"/>
                  <bond atomRefs2="a71 a85" order="S"/>
                  <bond atomRefs2="a71 a76" order="S"/>
                  <bond atomRefs2="a71 a94" order="S"/>
                  <bond atomRefs2="a71 a95" order="S"/>
                  <bond atomRefs2="a71 a92" order="S"/>
                  <bond atomRefs2="a72 a77" order="S"/>
                  <bond atomRefs2="a72 a112" order="S"/>
                  <bond atomRefs2="a73 a96" order="S"/>
                  <bond atomRefs2="a74 a82" order="S"/>
                  <bond atomRefs2="a74 a86" order="S"/>
                  <bond atomRefs2="a74 a80" order="S"/>
                  <bond atomRefs2="a75 a91" order="S"/>
                  <bond atomRefs2="a75 a77" order="S"/>
                  <bond atomRefs2="a75 a86" order="S"/>
                  <bond atomRefs2="a75 a111" order="S"/>
                  <bond atomRefs2="a76 a85" order="S"/>
                  <bond atomRefs2="a76 a79" order="S"/>
                  <bond atomRefs2="a76 a84" order="S"/>
                  <bond atomRefs2="a76 a78" order="S"/>
                  <bond atomRefs2="a77 a86" order="S"/>
                  <bond atomRefs2="a77 a91" order="S"/>
                  <bond atomRefs2="a77 a78" order="S"/>
                  <bond atomRefs2="a77 a92" order="S"/>
                  <bond atomRefs2="a78 a92" order="S"/>
                  <bond atomRefs2="a78 a80" order="S"/>
                  <bond atomRefs2="a78 a87" order="S"/>
                  <bond atomRefs2="a78 a84" order="S"/>
                  <bond atomRefs2="a78 a85" order="S"/>
                  <bond atomRefs2="a79 a81" order="S"/>
                  <bond atomRefs2="a79 a84" order="S"/>
                  <bond atomRefs2="a80 a83" order="S"/>
                  <bond atomRefs2="a80 a87" order="S"/>
                  <bond atomRefs2="a80 a84" order="S"/>
                  <bond atomRefs2="a81 a84" order="S"/>
                  <bond atomRefs2="a81 a88" order="S"/>
                  <bond atomRefs2="a81 a85" order="S"/>
                  <bond atomRefs2="a82 a83" order="S"/>
                  <bond atomRefs2="a82 a112" order="S"/>
                  <bond atomRefs2="a83 a87" order="S"/>
                  <bond atomRefs2="a84 a85" order="S"/>
                  <bond atomRefs2="a84 a87" order="S"/>
                  <bond atomRefs2="a85 a88" order="S"/>
                  <bond atomRefs2="a85 a92" order="S"/>
                  <bond atomRefs2="a86 a112" order="S"/>
                  <bond atomRefs2="a88 a94" order="S"/>
                  <bond atomRefs2="a89 a95" order="S"/>
                  <bond atomRefs2="a89 a90" order="S"/>
                  <bond atomRefs2="a90 a95" order="S"/>
                  <bond atomRefs2="a90 a94" order="S"/>
                  <bond atomRefs2="a91 a111" order="S"/>
                  <bond atomRefs2="a92 a96" order="S"/>
                  <bond atomRefs2="a92 a93" order="S"/>
                  <bond atomRefs2="a93 a96" order="S"/>
                  <bond atomRefs2="a93 a95" order="S"/>
                  <bond atomRefs2="a94 a95" order="S"/>
                  <bond atomRefs2="a97 a104" order="S"/>
                  <bond atomRefs2="a97 a102" order="S"/>
                  <bond atomRefs2="a97 a98" order="S"/>
                  <bond atomRefs2="a98 a100" order="S"/>
                  <bond atomRefs2="a98 a117" order="S"/>
                  <bond atomRefs2="a99 a101" order="S"/>
                  <bond atomRefs2="a99 a100" order="S"/>
                  <bond atomRefs2="a99 a116" order="S"/>
                  <bond atomRefs2="a100 a107" order="S"/>
                  <bond atomRefs2="a101 a102" order="S"/>
                  <bond atomRefs2="a101 a115" order="S"/>
                  <bond atomRefs2="a102 a110" order="S"/>
                  <bond atomRefs2="a103 a104" order="S"/>
                  <bond atomRefs2="a103 a106" order="S"/>
                  <bond atomRefs2="a103 a108" order="S"/>
                  <bond atomRefs2="a103 a109" order="S"/>
                  <bond atomRefs2="a104 a119" order="S"/>
               </bondArray>
               <formula concise="C8H14OAg96">
                  <atomArray count="8 14 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/C8H8O.96Ag.6H/c1-7(9)8-5-3-2-4-6-8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-6H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:103,99,100,101,98,102,104,97,119;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;105;111;112;113;114;118/E:(3,4)(5,6);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:119AgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgC3C3C3C3C3C3CC3H3HHHHHH3H3H3H3HHHH3O1/rB:;s1;s2;s3s4;;;s4s5;s7s8;s2;s2s4s5;s6s7s9;s7;s1s3s7s8s9;s6;s6s9s15;;s3s5s11;s2;s2s11s19;s3s4s5s8s9s14s18;s4s9s10s16s21;s6s12s16;s7s9s13s14;;s25;s10s22;s2s10s19s20;s11s18s20s28;s15s16;s9s15s22s24s27s30;s2s4s10s11s18s21s22s27s28s29;s30;s10s33;s25s26;s5s8;;s37;s23;s12;s37s38;s40s41;s36s38s41;s4s8s9s12s16s22s40s42;s2s4s37s38s41s42;s4s5s11s36s38s43s45;s16s30s33s34;s19;s1s3s5s8s14s36;s16s23s47;s37s38;s2s10s19s34;s17;s2s11s20s38s45s46s51;s25s26s35s48;s25s48s51s55;;s37s42s45s52;s35s37s48s51s55s56;s4s8s36s40s41s42s43s44s45s46;;s6s13s15;s19s20s48s51s54s56;s34s47s50s57;s10s22s42s44s47s50s52s58s64;s2s19s37s45s48s51s52s54s58s59s63;s34s57s64;s17s57s67;s37s57s58s59;s38s41s43;s35s61;;s48s52s58s59s66s68s69;s39s42s50s57s58s64;s17s57s68s69;s61s71;s72s75;s69s76s77;s61s70s76;s37s41s42s58s69s74s78;s37s38s51s61s70s79;s39s74;s39s40s41s42s80s82;s37s41s70s76s78s79s80s81;s35s37s59s61s71s76s78s81s84;s57s69s74s75s77;s78s80s83s84;s25s35s51s56s59s61s81s85;s26;s25s26s89;s17s53s75s77;s35s69s71s77s78s85;s26s35s53s92;s25s35s61s71s88s90;s26s35s71s89s90s93s94;s35s55s59s68s69s73s92s93;;s97;;s98s99;s99;s97s101;;s97s103;s23s39s50;s103;s100;s103;s103;s102;s17s75s91;s72s82s86;s6s15s62;s30s33s47;s101;s99;s98;s57s64s67;s104;/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">1108.0000</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 14 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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      </module>
   </module>
</module>
