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                  <bond atomRefs2="a57 a149" order="S"/>
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                  <bond atomRefs2="a57 a164" order="S"/>
                  <bond atomRefs2="a57 a171" order="S"/>
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                  <bond atomRefs2="a60 a155" order="S"/>
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                  <bond atomRefs2="a63 a166" order="S"/>
                  <bond atomRefs2="a63 a162" order="S"/>
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                  <bond atomRefs2="a65 a172" order="S"/>
                  <bond atomRefs2="a65 a177" order="S"/>
                  <bond atomRefs2="a65 a186" order="S"/>
                  <bond atomRefs2="a65 a156" order="S"/>
                  <bond atomRefs2="a65 a161" order="S"/>
                  <bond atomRefs2="a65 a159" order="S"/>
                  <bond atomRefs2="a66 a188" order="S"/>
                  <bond atomRefs2="a66 a167" order="S"/>
                  <bond atomRefs2="a66 a194" order="S"/>
                  <bond atomRefs2="a66 a189" order="S"/>
                  <bond atomRefs2="a67 a180" order="S"/>
                  <bond atomRefs2="a67 a171" order="S"/>
                  <bond atomRefs2="a67 a181" order="S"/>
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                  <bond atomRefs2="a67 a198" order="S"/>
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                  <bond atomRefs2="a68 a170" order="S"/>
                  <bond atomRefs2="a68 a183" order="S"/>
                  <bond atomRefs2="a68 a196" order="S"/>
                  <bond atomRefs2="a68 a199" order="S"/>
                  <bond atomRefs2="a69 a181" order="S"/>
                  <bond atomRefs2="a69 a187" order="S"/>
                  <bond atomRefs2="a69 a168" order="S"/>
                  <bond atomRefs2="a69 a193" order="S"/>
                  <bond atomRefs2="a69 a188" order="S"/>
                  <bond atomRefs2="a70 a189" order="S"/>
                  <bond atomRefs2="a70 a166" order="S"/>
                  <bond atomRefs2="a70 a195" order="S"/>
                  <bond atomRefs2="a70 a187" order="S"/>
                  <bond atomRefs2="a71 a182" order="S"/>
                  <bond atomRefs2="a71 a178" order="S"/>
                  <bond atomRefs2="a71 a169" order="S"/>
                  <bond atomRefs2="a71 a197" order="S"/>
                  <bond atomRefs2="a72 a189" order="S"/>
                  <bond atomRefs2="a72 a190" order="S"/>
                  <bond atomRefs2="a72 a174" order="S"/>
                  <bond atomRefs2="a72 a185" order="S"/>
                  <bond atomRefs2="a72 a195" order="S"/>
                  <bond atomRefs2="a73 a187" order="S"/>
                  <bond atomRefs2="a73 a192" order="S"/>
                  <bond atomRefs2="a73 a184" order="S"/>
                  <bond atomRefs2="a73 a173" order="S"/>
                  <bond atomRefs2="a73 a193" order="S"/>
                  <bond atomRefs2="a74 a200" order="S"/>
                  <bond atomRefs2="a74 a180" order="S"/>
                  <bond atomRefs2="a74 a179" order="S"/>
                  <bond atomRefs2="a74 a199" order="S"/>
                  <bond atomRefs2="a74 a178" order="S"/>
                  <bond atomRefs2="a75 a188" order="S"/>
                  <bond atomRefs2="a75 a191" order="S"/>
                  <bond atomRefs2="a75 a172" order="S"/>
                  <bond atomRefs2="a75 a186" order="S"/>
                  <bond atomRefs2="a75 a194" order="S"/>
                  <bond atomRefs2="a76 a178" order="S"/>
                  <bond atomRefs2="a76 a197" order="S"/>
                  <bond atomRefs2="a76 a183" order="S"/>
                  <bond atomRefs2="a76 a199" order="S"/>
                  <bond atomRefs2="a77 a192" order="S"/>
                  <bond atomRefs2="a77 a176" order="S"/>
                  <bond atomRefs2="a77 a198" order="S"/>
                  <bond atomRefs2="a78 a196" order="S"/>
                  <bond atomRefs2="a78 a179" order="S"/>
                  <bond atomRefs2="a78 a181" order="S"/>
                  <bond atomRefs2="a78 a186" order="S"/>
                  <bond atomRefs2="a79 a175" order="S"/>
                  <bond atomRefs2="a79 a197" order="S"/>
                  <bond atomRefs2="a80 a186" order="S"/>
                  <bond atomRefs2="a80 a196" order="S"/>
                  <bond atomRefs2="a80 a191" order="S"/>
                  <bond atomRefs2="a80 a177" order="S"/>
                  <bond atomRefs2="a81 a180" order="S"/>
                  <bond atomRefs2="a81 a182" order="S"/>
                  <bond atomRefs2="a81 a198" order="S"/>
                  <bond atomRefs2="a81 a200" order="S"/>
                  <bond atomRefs2="a201 a203" order="S"/>
                  <bond atomRefs2="a201 a202" order="S"/>
               </bondArray>
               <formula concise="H2In80NiO120">
                  <atomArray count="2 80 1 120" elementType="H In Ni O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">11164.061400000077</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/80In.Ni.H2O.119O/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;1;201;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:203NiInIn5InIn5In5In5In2In5In2InInInIn5In5In5In6In5In6In6In5In5In5In6In5In6In5In6In6In4In5In5In6In6In5In6In5In6In4In5In5In6In6In6In5In5In6In5In5In6InIn6InIn6In6InIn6In2InIn4In4In5In5In5In6In4In6In5In5In4In4In5In5In6In5In4InIn4In2In4In4O1OOO3OOO3O3OO3OO3O3O4O4O4O3O4O4O3O3O4OOO4O4O4O3O4OOOO4O4O4O4O3O3OO4O3O3O4O4O4O4O4O4O4O4O4O4O4O4O4O3O3OO3O3O4O4O4OOO4OO4OO4O4O4OO4OO3O3O4O3O4O3O4O4O4O3O3O4O4O4O4O3O4O3OO3O3O4O4O4O4O3O3OOO4O3O3O3O1OOO3OOO3O3O3O3O3O3HH/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s1;;;;;;;s1;;;;;;;;s12;s6s13;s10s17;s3s4s17;s5s6;s2s7;s8s12s15;s9s16s17;s13s14;s3s5s9;s5s7;s3s7s11;s14s15s18;s8s15s16s23;s9s14s16s20;s5s6s9s19;s2s7s21;s3s4s11s22;s6s13s14s27;s12s15s25;s16s17s24;s4s10s17s31;s2s30;s6s32;s7s21s26s29;s3s22s26s28;s5s19s26s33;s11s22s29;s9s19s20s28;s21s33;s29s30;s32s33;s17s24s28s31;s16s20s23s24;s15s18s23s25;s14s18s20s27;s24s31s37;s27s32s35;s25s39;s19s20s27s36;s23s24s38;s18s25s34;s19s32s33s43;s22s28s31s40;s21s29s30s41;s19s26s28s47;s22s26s29s48;s21s26s33s46;s20s36s42s44;s23s38s42s45;s18s34s42s49;s27s35s36s49;s24s37s38s44;s25s34s39s45;s28s40s44s47;s29s41s48;s33s43s46;s30s41;s31s37s40;s32s35s43;s43s46s47s50;s40s47s48s55;s41s46s48s52;s37s38;s34s39;s35s36s43s54;s38s45;s36s44s47s57;s34s49;s36s42s49s63;s34s42s45s62;s38s42s44s64;s39s61;s35s54s58s60;s37s65;s43s50s54;s41s51s52;s40s53s55s65;s45s61s62;s44s57s64s65;s49s60s63;s48s52s55s56;s47s50s55s57;s46s50s52s59;s62s63s70;s62s64s66;s57s63s64s69;s51s52s59s71;s53s55s56s68;s50s54s57s67;s64s65s75;s54s60s63s73;s61s62s72;s51s79;s54s58s77;s53s65s80;s52s71s74s76;s55s68s74s78;s50s67s74s81;s57s67s69s78;s59s71s81;s56s68s76;s60s73;s61s72;s65s75s78s80;s69s70s73;s66s69s75;s66s70s72;s72;s75s80;s73s77;s67s69s73;s66s75;s70s72;s68s78s80;s71s76s79;s67s77s81;s68s74s76;s1s74s81;s1;s201;s201;/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">0.1500</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">1772.0000</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="4">PAW_PBE Ni 02Aug2007|PAW_PBE In_d 06Sep2000|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Ni In O H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">58.69114 .82 16.00 1.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">10.00 13.00 6.00 1.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">1 80 120 2</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="5">1 2 3 4 5</array>
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