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                  <bond atomRefs2="a65 a166" order="S"/>
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                  <bond atomRefs2="a69 a194" order="S"/>
                  <bond atomRefs2="a69 a186" order="S"/>
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                  <bond atomRefs2="a70 a181" order="S"/>
                  <bond atomRefs2="a70 a177" order="S"/>
                  <bond atomRefs2="a70 a199" order="S"/>
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                  <bond atomRefs2="a71 a188" order="S"/>
                  <bond atomRefs2="a71 a189" order="S"/>
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                  <bond atomRefs2="a71 a194" order="S"/>
                  <bond atomRefs2="a72 a186" order="S"/>
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                  <bond atomRefs2="a74 a185" order="S"/>
                  <bond atomRefs2="a74 a190" order="S"/>
                  <bond atomRefs2="a74 a171" order="S"/>
                  <bond atomRefs2="a74 a193" order="S"/>
                  <bond atomRefs2="a75 a182" order="S"/>
                  <bond atomRefs2="a75 a177" order="S"/>
                  <bond atomRefs2="a75 a196" order="S"/>
                  <bond atomRefs2="a75 a198" order="S"/>
                  <bond atomRefs2="a76 a191" order="S"/>
                  <bond atomRefs2="a76 a175" order="S"/>
                  <bond atomRefs2="a76 a197" order="S"/>
                  <bond atomRefs2="a77 a201" order="S"/>
                  <bond atomRefs2="a77 a185" order="S"/>
                  <bond atomRefs2="a77 a178" order="S"/>
                  <bond atomRefs2="a77 a200" order="S"/>
                  <bond atomRefs2="a77 a180" order="S"/>
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                  <bond atomRefs2="a78 a196" order="S"/>
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                  <bond atomRefs2="a79 a185" order="S"/>
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                  <bond atomRefs2="a80 a199" order="S"/>
                  <bond atomRefs2="a195 a201" order="S"/>
               </bondArray>
               <formula concise="In80IrO120">
                  <atomArray count="80 1 120" elementType="In Ir O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">11297.58500000008</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/80In.Ir.120O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;201;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;157;158;159;160;161;162;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/rA:201InIn5InIn5In5In5In2In5In2InInInIn5In5In5In6In5In6In6In5In5In5In6In5In6In5In6In6In4In5In5In6In6In5In6In5In6In4In5In5In6In6In6In5In5In6In5In5In6InIn6InIn6In6InIn6In1InIn4In4In5In5In5In6In4In6In5In5In4In5In5In5In5In5In4InIn5In2In4In4O1OOO3OOO3O3OO3OO3O3O4O4O4O3O4O4O3O3O4OOO4O4O4O3O4OOOO4O4O4O4O3O3OO4O3O3O4O4O4O4O4O4O4O4O4O4O4O4O4O3O3OO3O3O4O4O4OOO4OO4OO4O4O4OO3OO3O3O4O3O4O3O4O4O4O3O3O4O4O4O4O3O4O3O3OO3O4O3O4O4O3O3OOO4O3O3O3O1OOO3OOOO3O3O3O3O3Ir/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s11;s5s12;s9s16;s2s3s16;s4s5;s1s6;s7s11s14;s8s15s16;s12s13;s2s4s8;s4s6;s2s6s10;s13s14s17;s7s14s15s22;s8s13s15s19;s4s5s8s18;s1s6s20;s2s3s10s21;s5s12s13s26;s11s14s24;s15s16s23;s3s9s16s30;s1s29;s5s31;s6s20s25s28;s2s21s25s27;s4s18s25s32;s10s21s28;s8s18s19s27;s20s32;s28s29;s31s32;s16s23s27s30;s15s19s22s23;s14s17s22s24;s13s17s19s26;s23s30s36;s26s31s34;s24s38;s18s19s26s35;s22s23s37;s17s24s33;s18s31s32s42;s21s27s30s39;s20s28s29s40;s18s25s27s46;s21s25s28s47;s20s25s32s45;s19s35s41s43;s22s37s41s44;s17s33s41s48;s26s34s35s48;s23s36s37s43;s24s33s38s44;s27s39s43s46;s28s40s47;s32s42s45;s29s40;s30s36s39;s31s34s42;s42s45s46s49;s39s46s47s54;s40s45s47s51;s36s37;s33s38;s34s35s42s53;s37s44;s35s43s46s56;s33s48;s35s41s48s62;s33s41s44s61;s37s41s43s63;s38s60;s34s53s59;s36s64;s42s49s53;s40s50s51;s39s52s54s64;s44s60s61;s43s56s63s64;s48s59s62;s47s51s54s55;s46s49s54s56;s45s49s51s58;s61s62s69;s61s63s65;s56s62s63s68;s50s51s58s70;s52s54s55s67;s49s53s56s66;s63s64s74;s53s59s62s72;s60s61s71;s50s57s78;s53s76;s52s64s79;s51s70s73s75;s54s67s77;s49s66s73s80;s56s66s68s77;s58s70s80;s55s67s75;s59s72;s60s71;s64s74s77s79;s68s69s72;s65s68s74;s65s69s71;s71;s74s79;s72s76;s66s68s72;s65s74;s69s71;s67;s70s75s78;s66s76s80;s67s73s75;s70s73s80;s66s73s77;s77s79s195;/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">-.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">1769.0000</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">0.05</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>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE In_d 06Sep2000|PAW_PBE O 08Apr2002|PAW_PBE Ir 06Sep2000</array>
                  <array dictRef="cc:atomType" size="3">In O Ir</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">114.82 16.00192 .22</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">13.00 6.00 9.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">80 120 1</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>
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