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        xmlns:xi="http://www.w3.org/2001/XInclude"
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        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
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        xmlns:cml="http://www.xml-cml.org/schema"
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        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
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                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">16469.0253</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C3H5O4.36Au.54Ce.107O.H/c1-6-3(4,5)7-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H2,2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:203,204,202,157,163,164,165;166;167;168;169;170;171;172;173;174;175;176;177;178;179;180;181;182;183;184;185;186;187;188;189;190;191;192;193;194;195;196;197;198;199;200;201;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;54;53;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;97;98;99;100;101;102;103;104;105;106;107;108;109;110;111;112;113;114;115;116;117;118;119;120;121;122;123;124;125;126;127;128;129;130;131;132;133;134;135;136;137;138;139;140;141;142;143;144;145;146;147;148;149;150;151;152;153;154;155;156;158;159;160;161;162;207/E:(4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.3,4.1,5-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:210CeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeO0OO1O1O3O3O1O3O3O1O3O3O1O3O3O1O3O3OO3O3O3O4O4O3O4O4O3O4O4O3O4O4O3O4O4O4O4O3O4O4O3O4O4O3O4O4O3O4O4O3O3O3OO1OOO1O4O4OO4O4OO4O4O1O4O4O3O4O4OOOO3O4O3OO4O4O3O4O4O4O4O3O4O4O3OOO1O3O3OOO3O3O3O3OO4O3O1O3O3O1OO3O3AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuC5C3CHHH0HHH/rB:s1;s2;s1s2;s2s3s4;s3s5;s4s5;s5s6s7;s6s8;s7s8;s8s9s10;s9s11;s10s11;s11s12s13;s12s14;s13s14;s14s15s16;s15s17;s1;s1s2s19;s2s3s20;s1s4s19s20;s2s4s5s20s21s22;s3s5s6s21s23;s4s7s22s23;s5s7s8s23s24s25;s6s8s9s24s26;s7s10s25s26;s8s10s11s26s27s28;s9s11s12s27s29;s10s13s28s29;s11s13s14s29s30s31;s12s14s15s30s32;s13s16s31s32;s14s16s17s32s33s34;s15s17s18s33s35;s34;s35s37;s36s38;s19s22;s20s22s23s40;s21s23s24s41;s27;s23s25s26s41s42;s24s26s27s42s43s44;s30s43;s26s28s29s44s45;s27s29s30s43s45s46s47;s28s31s47;s29s31s32s47s48s49;s30s32s33s46s48s50;s31s34s37s49s50;s32s34s35s37s38s50s51s52;s33s35s36s38s39s51s53;;s16s17;s2;s1;s1s2s4;s2s3s5;s4;s4s5s7;s5s6s8;s7;s7s8s10;s8s9s11;s10;s10s11s13;s11s12s14;s13;s13s14s16;s14s15s17;s1s19;s1s2s20;s2s3s21;s1s4s22;s2s4s5s23;s3s5s6s24;s4s7s25;s5s7s8s26;s6s8s9s27;s7s10s28;s8s10s11s29;s9s11s12s30;s10s13s31;s11s13s14s32;s12s14s15s33;s13s16s34;s14s16s17s35;s15s17s18s36;s1s19s20s22;s2s20s21s23;s3s21s24;s4s22s23s25;s5s23s24s26;s6s24s27;s7s25s26s28;s8s26s27s29;s9s27s30;s10s28s29s31;s11s29s30s32;s12s30s33;s13s31s32s34;s14s32s33s35;s15s33s36;s16s34s35;s17s35s36;s18s36;s21;s35s38;s36s39;s24;s20s22s23s41;s21s23s24s42;s22s25;s23s25s26s44;s24s26s27s45;s30s46;s26s28s29s47;s27s29s30s48;s33;s29s31s32s50;s30s32s33s51;s31s34s52;s32s34s35s53;s33s35s36s54;s19s40;s20s41;s21s42;s22s40s41;s23s41s42s44;s24s42s45;s25s44;s26s44s45s47;s27s43s45s48;s28s47s49;s29s47s48s50;s30s46s48s51;s31s49s50s52;s32s50s51s53;s33s51s54;s34s37s52s53;s35s38s53s54;s36s39s54;s40s41;s41s42;s42;s41s44;s42s44s45;s43s45;s44s47;s45s47s48;s43s46s48;s47s49s50;s48s50s51;s46s51;s50s52s53;s51s53s54;s54;s37s38s53;s38s39s54;s39;s53;s52;s50;;s43s166;s44;s168;s43s167;;;s148s168;s169;s168s169s174;s167s170s174s175;s166s167s174s176;s44s168s173s175;;s42s171s179;s45s170s171s175s176s178s180;s169;s168s173s178s182;s173s183;s182s183s184;s172s179;s172s184s186;s177;s170s176s181s188;s175s178s181s182s183s189;s174s182s188s189s190;s171s180s189s190;s179s180s183s186s190s192;s183s184s185;s182s183s190s194;s186s187s194;s186s193s194s195s196;s189s190s191s195;s188s189s198;s190s192s193s195s197s198;s189s192s198s199s200;s52s157s163s164s165;s164;s165;s203;s203;;s204;s204;s204;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</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">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</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">1728.0000</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">0.10</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:ldau">
                  <scalar>true</scalar>
               </parameter>
               <parameter dictRef="v:ldautype">
                  <scalar dataType="xsd:integer">2</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:ldaul">
                  <array dataType="xsd:integer" size="6">3 -1 -1 -1 -1 -1</array>
               </parameter>
               <parameter dictRef="v:ldauu">
                  <array dataType="xsd:double" size="6">5.5 0.0 0.0 0.0 0.0 0.0</array>
               </parameter>
               <parameter dictRef="v:ldauj">
                  <array dataType="xsd:double" size="6">1.0 0.0 0.0 0.0 0.0 0.0</array>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE Ce 23Dec2003|PAW_PBE O 08Apr2002|PAW_PBE Au 06Sep2000|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="5">Ce O Au C H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">140.115 16.000 196.966 12.011 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">12.000 6.000 11.000 4.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">54 111 36 3 6</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">23.158800602 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">5.789700151 10.028054821 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 26.000000000</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="1">1</array>
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</module>
