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                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a141 a148" order="S"/>
                  <bond atomRefs2="a141 a178" order="S"/>
                  <bond atomRefs2="a143 a174" order="S"/>
                  <bond atomRefs2="a144 a149" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a146 a151" order="S"/>
                  <bond atomRefs2="a146 a181" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a147 a154" order="S"/>
                  <bond atomRefs2="a147 a184" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a150 a155" order="S"/>
                  <bond atomRefs2="a150 a185" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
                  <bond atomRefs2="a152 a157" order="S"/>
                  <bond atomRefs2="a152 a187" order="S"/>
                  <bond atomRefs2="a153 a160" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a153 a190" order="S"/>
                  <bond atomRefs2="a155 a156" order="S"/>
                  <bond atomRefs2="a156 a191" order="S"/>
                  <bond atomRefs2="a156 a161" order="S"/>
                  <bond atomRefs2="a157 a158" order="S"/>
                  <bond atomRefs2="a158 a163" order="S"/>
                  <bond atomRefs2="a158 a193" order="S"/>
                  <bond atomRefs2="a159 a160" order="S"/>
                  <bond atomRefs2="a159 a196" order="S"/>
                  <bond atomRefs2="a159 a166" order="S"/>
                  <bond atomRefs2="a161 a162" order="S"/>
                  <bond atomRefs2="a162 a197" order="S"/>
                  <bond atomRefs2="a162 a167" order="S"/>
                  <bond atomRefs2="a163 a164" order="S"/>
                  <bond atomRefs2="a164 a199" order="S"/>
                  <bond atomRefs2="a164 a169" order="S"/>
                  <bond atomRefs2="a165 a166" order="S"/>
                  <bond atomRefs2="a165 a172" order="S"/>
                  <bond atomRefs2="a165 a202" order="S"/>
                  <bond atomRefs2="a167 a168" order="S"/>
                  <bond atomRefs2="a168 a173" order="S"/>
                  <bond atomRefs2="a168 a203" order="S"/>
                  <bond atomRefs2="a169 a170" order="S"/>
                  <bond atomRefs2="a170 a205" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a171 a208" order="S"/>
                  <bond atomRefs2="a173 a174" order="S"/>
                  <bond atomRefs2="a174 a209" order="S"/>
                  <bond atomRefs2="a175 a176" order="S"/>
                  <bond atomRefs2="a176 a181" order="S"/>
                  <bond atomRefs2="a177 a184" order="S"/>
                  <bond atomRefs2="a177 a178" order="S"/>
                  <bond atomRefs2="a179 a210" order="S"/>
                  <bond atomRefs2="a180 a185" order="S"/>
                  <bond atomRefs2="a181 a182" order="S"/>
                  <bond atomRefs2="a182 a187" order="S"/>
                  <bond atomRefs2="a183 a184" order="S"/>
                  <bond atomRefs2="a183 a190" order="S"/>
                  <bond atomRefs2="a185 a186" order="S"/>
                  <bond atomRefs2="a186 a191" order="S"/>
                  <bond atomRefs2="a187 a188" order="S"/>
                  <bond atomRefs2="a188 a193" order="S"/>
                  <bond atomRefs2="a189 a190" order="S"/>
                  <bond atomRefs2="a189 a196" order="S"/>
                  <bond atomRefs2="a191 a192" order="S"/>
                  <bond atomRefs2="a192 a197" order="S"/>
                  <bond atomRefs2="a193 a194" order="S"/>
                  <bond atomRefs2="a194 a199" order="S"/>
                  <bond atomRefs2="a195 a196" order="S"/>
                  <bond atomRefs2="a195 a202" order="S"/>
                  <bond atomRefs2="a197 a198" order="S"/>
                  <bond atomRefs2="a198 a203" order="S"/>
                  <bond atomRefs2="a199 a200" order="S"/>
                  <bond atomRefs2="a200 a205" order="S"/>
                  <bond atomRefs2="a201 a202" order="S"/>
                  <bond atomRefs2="a201 a208" order="S"/>
                  <bond atomRefs2="a203 a204" order="S"/>
                  <bond atomRefs2="a204 a209" order="S"/>
                  <bond atomRefs2="a205 a206" order="S"/>
                  <bond atomRefs2="a207 a208" order="S"/>
                  <bond atomRefs2="a209 a210" order="S"/>
                  <bond atomRefs2="a211 a217" order="S"/>
                  <bond atomRefs2="a211 a215" order="S"/>
                  <bond atomRefs2="a212 a215" order="S"/>
                  <bond atomRefs2="a214 a217" order="S"/>
                  <bond atomRefs2="a215 a216" order="S"/>
                  <bond atomRefs2="a217 a218" order="S"/>
               </bondArray>
               <formula concise="C212HClN3Pt">
                  <atomArray count="212 1 1 3 1" elementType="C H Cl N Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2818.819499999997</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C72.C70.C68HN3.C2.ClH.Pt/c1-23-7-29-15-37-19-33-11-25-3-5-27-13-35-21-39-17-31-9-24(2)10-32-18-40-22-36-14-28-6-4-26-12-34-20-38-16-30(8-23)41(29)55-47(37)61-51(33)57-43(25)45(27)59-53(35)63-49(39)56(42(31)32)50(40)64-54(36)60-46(28)44(26)58-52(34)62(48(38)55)65(61)71-67(57)69(59)72(66(63)64)70(60)68(58)71;1-22(2)40-28(8)45-36-18-14-32-12-16-34-24(4)41-30(10)43-26(6)38-20-23(3)21-39-27(7)44-31(11)42-25(5)35-17-13-33-15-19-37-46(29(40)9)58(45)66-62-52(36)47(32)50(34)60-56(41)64-54(43)59(49(38)39)55(44)65-57(42)61-51(35)48(33)53(37)63(66)68(61)70(67(60)62)69(64)65;1-18-20-24(3)42-35(14)65-36(15)50-31(10)44-26(5)23-41-29(8)47-32(11)45-27(6)39(19-2)28(7)46-33(12)49-34(13)48-30(9)43-25(4)21-22-40-51(43)62-57(48)60-56(49)59(54(45)46)55(47)58-52(41)53(44)63(67(50)70-65)64(61(58)60)68(62)71-66(40)38(17)69-37(42)16;1-2;;/h;;70H;;1H;/q;;-1;;;+2/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4,207,34,178,33,177,10,40,171,201,28,142,68,183,16,75,135,195,22,107,100,189,3,208,27,141,69,184,9,39,172,202,21,106,101,190,15,74,136,196,46,165,63,148,62,147,52,81,129,159,57,113,94,153,45,166,56,112,95,154,51,80,130,160,86,123,90,119,89,118,85,124;8,38,206,7,37,19,104,73,14,13,72,175,31,139,25,176,32,105,20,200,170,43,205,182,67,194,134,78,49,188,99,140,26,181,66,110,54,199,169,44,187,98,193,133,79,50,145,60,164,146,61,111,55,158,128,152,93,83,163,151,92,116,87,157,127,84,117,88,122,121;6,179,42,5,180,29,143,17,41,144,23,108,76,77,109,18,24,11,210,12,35,30,186,47,36,185,204,174,192,71,149,198,138,103,82,114,53,58,209,64,191,48,70,150,203,173,197,102,137,115,65,156,155,168,162,132,97,161,167,131,126,96,120,125,212,59,211,91,213,215,214;1,2;218;217/E:(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);(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)(41,42)(43,44)(45,46)(47,48)(50,51)(52,53)(54,55)(56,57)(60,61)(62,63)(64,65)(67,68);;(1,2);;/CRV:1.1,2.1,3.2,4.2,5.2,6.2,7.2,8.2,9.2,10.2,11.2,12.2,13.2,14.2,15.2,16.2,17.2,18.2,19.2,20.2,21.2,22.2,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,61.3,62.3,63.3,64.3,65.3,66.3,67.3,68.3,69.3,70.3,71.3,72.3;1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.2,13.2,14.2,15.2,16.2,17.2,18.2,19.2,20.2,21.2,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,61.3,62.3,63.3,64.3,65.3,66.3,67.3,68.3,69.3,70.3;1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.2,19.2,20.2,21.2,22.2,23.2,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,61.3,62.3,63.3,64.3,65.3,66.3,67.3,68.3,69.2,71-1;1.1,2.1;;/rA:218C1C1C3C1C1C1C1C1C3C2C2C2C1C1C3C2C1C1C1C2C3C2C1C1C2C3C3C2C1C2C2C2C2C2C2C3C1C1C3C2C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C2C3C3C3C1C1C3C2C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C2C3C3C3C1C2C3C2C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C2C3C3C3C2C3C3C2C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C2C2C3C3C3C2C2C2C2C1C1C3C3C2C3C3C2C3C3C2C3C3C3C3C3C2C3C3C3C3C2C2C3C3C3C3C1C1C3C3C2CC3N2NNHPtCl/rB:s1;;s3;;;;;;s3s9;s6;s11;;;;s9s15;;;;;;s15s21;;;s20;s25;;s21s27;;;s26;s31;;s27s33;s30;s5s35;;;;s3s39;;;s8s38;s43;;s9s39s45;s12s42;s47;s14s44;s49;;s15s45s51;s18s48;s20s50;s54;;s21s51s56;s24;s58;s26s55;s60;;s27s56s62;s30s59;s64;s32s61;s37s66;;s33s62s68;s36s65;s41s70;;;;s39s74;;;s44s73;s78;;s45s74s80;s48s77;s50s79;s83;;s51s80s85;s55s84;s87;;s56s85s89;;s61s88;s92;;s62s89s94;s65s91;s96;s67s93;s72s98;;s68s94s100;s71s97;s76s102;;;;s74s106;;;s79s105;s110;;s80s106s112;s109;s114;s84s111;s116;;s85s112s118;;s88s117;s121;;s89s118s123;s91s120;s125;s93s122;s127;;s94s123s129;s97s126;s131;s99s128;s104s133;;s100s129s135;s103s132;s108s137;s105;s139;;s106s141;;;s111s140;s145;;s112s141s147;s115s144;s149;s117s146;s151;;s118s147s153;s120s150;s155;s122s152;s157;;s123s153s159;s126s156;s161;s128s158;s163;;s129s159s165;s132s162;s167;s134s164;s169;;s135s165s171;s138s168;s143s173;s140;s175;;s141s177;;;s146s176;s7s181;;s147s177s183;s150s180;s185;s152s182;s13s187;;s153s183s189;s156s186;s17s191;s158s188;s19s193;;s159s189s195;s162s192;s23s197;s164s194;s199;;s165s195s201;s168s198;s29s203;s170s200;s205;;s171s201s207;s174s204;s179s209;s115s120;s82s114;s53s58;s59s91;s211s212;s215;s211s214;s217;/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">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">0.1E-03</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">881.0000</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="5">PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE Pt 04Feb2005|PAW_PBE Cl 17Jan2003</array>
                  <array dictRef="cc:atomType" size="5">C N H Pt Cl</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">12.011 14.001 1.000 195.080 35.453</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">4.000 5.000 1.000 10.000 7.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">212 3 1 1 1</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">7.400965934 12.818849059 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">-7.400965934 12.818849059 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 19.000000000</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 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="5">1 2 3 4 5</array>
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</module>
