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        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
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                  <bond atomRefs2="a111 a148" order="S"/>
                  <bond atomRefs2="a111 a112" order="S"/>
                  <bond atomRefs2="a111 a118" order="S"/>
                  <bond atomRefs2="a113 a114" order="S"/>
                  <bond atomRefs2="a114 a119" order="S"/>
                  <bond atomRefs2="a114 a149" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a116 a151" order="S"/>
                  <bond atomRefs2="a116 a121" order="S"/>
                  <bond atomRefs2="a117 a154" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a117 a124" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a120 a221" order="S"/>
                  <bond atomRefs2="a120 a125" order="S"/>
                  <bond atomRefs2="a120 a155" order="S"/>
                  <bond atomRefs2="a121 a122" order="S"/>
                  <bond atomRefs2="a122 a157" order="S"/>
                  <bond atomRefs2="a122 a127" order="S"/>
                  <bond atomRefs2="a123 a160" order="S"/>
                  <bond atomRefs2="a123 a124" order="S"/>
                  <bond atomRefs2="a123 a130" order="S"/>
                  <bond atomRefs2="a125 a221" order="S"/>
                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a126 a131" order="S"/>
                  <bond atomRefs2="a126 a161" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a128 a133" order="S"/>
                  <bond atomRefs2="a128 a163" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a129 a166" order="S"/>
                  <bond atomRefs2="a129 a136" order="S"/>
                  <bond atomRefs2="a131 a218" order="S"/>
                  <bond atomRefs2="a131 a132" order="S"/>
                  <bond atomRefs2="a132 a137" order="S"/>
                  <bond atomRefs2="a132 a167" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a134 a169" order="S"/>
                  <bond atomRefs2="a134 a139" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a135 a142" order="S"/>
                  <bond atomRefs2="a135 a172" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a138 a143" order="S"/>
                  <bond atomRefs2="a138 a173" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a140 a175" order="S"/>
                  <bond atomRefs2="a141 a178" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a144 a179" 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 a185" order="S"/>
                  <bond atomRefs2="a150 a155" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
                  <bond atomRefs2="a152 a157" order="S"/>
                  <bond atomRefs2="a152 a187" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a153 a160" order="S"/>
                  <bond atomRefs2="a153 a190" order="S"/>
                  <bond atomRefs2="a155 a156" order="S"/>
                  <bond atomRefs2="a156 a161" order="S"/>
                  <bond atomRefs2="a156 a191" order="S"/>
                  <bond atomRefs2="a157 a158" order="S"/>
                  <bond atomRefs2="a158 a163" order="S"/>
                  <bond atomRefs2="a158 a193" order="S"/>
                  <bond atomRefs2="a159 a166" order="S"/>
                  <bond atomRefs2="a159 a160" order="S"/>
                  <bond atomRefs2="a159 a196" order="S"/>
                  <bond atomRefs2="a161 a162" order="S"/>
                  <bond atomRefs2="a162 a167" order="S"/>
                  <bond atomRefs2="a162 a197" order="S"/>
                  <bond atomRefs2="a163 a164" order="S"/>
                  <bond atomRefs2="a164 a169" order="S"/>
                  <bond atomRefs2="a164 a199" order="S"/>
                  <bond atomRefs2="a165 a172" order="S"/>
                  <bond atomRefs2="a165 a166" order="S"/>
                  <bond atomRefs2="a165 a202" order="S"/>
                  <bond atomRefs2="a167 a168" order="S"/>
                  <bond atomRefs2="a168 a203" order="S"/>
                  <bond atomRefs2="a168 a173" order="S"/>
                  <bond atomRefs2="a169 a170" order="S"/>
                  <bond atomRefs2="a170 a175" order="S"/>
                  <bond atomRefs2="a170 a205" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a171 a208" order="S"/>
                  <bond atomRefs2="a171 a178" order="S"/>
                  <bond atomRefs2="a173 a174" order="S"/>
                  <bond atomRefs2="a174 a209" order="S"/>
                  <bond atomRefs2="a174 a179" order="S"/>
                  <bond atomRefs2="a175 a176" order="S"/>
                  <bond atomRefs2="a176 a211" order="S"/>
                  <bond atomRefs2="a177 a214" order="S"/>
                  <bond atomRefs2="a177 a178" order="S"/>
                  <bond atomRefs2="a179 a180" order="S"/>
                  <bond atomRefs2="a180 a215" order="S"/>
                  <bond atomRefs2="a181 a182" order="S"/>
                  <bond atomRefs2="a182 a187" order="S"/>
                  <bond atomRefs2="a183 a190" order="S"/>
                  <bond atomRefs2="a183 a184" 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 a208" order="S"/>
                  <bond atomRefs2="a201 a202" order="S"/>
                  <bond atomRefs2="a203 a204" order="S"/>
                  <bond atomRefs2="a204 a209" order="S"/>
                  <bond atomRefs2="a205 a206" order="S"/>
                  <bond atomRefs2="a206 a211" order="S"/>
                  <bond atomRefs2="a207 a214" order="S"/>
                  <bond atomRefs2="a207 a208" order="S"/>
                  <bond atomRefs2="a209 a210" order="S"/>
                  <bond atomRefs2="a210 a215" order="S"/>
                  <bond atomRefs2="a211 a212" order="S"/>
                  <bond atomRefs2="a213 a214" order="S"/>
                  <bond atomRefs2="a215 a216" order="S"/>
                  <bond atomRefs2="a217 a219" order="S"/>
                  <bond atomRefs2="a218 a220" order="S"/>
                  <bond atomRefs2="a221 a222" order="S"/>
                  <bond atomRefs2="a221 a224" order="S"/>
                  <bond atomRefs2="a221 a223" order="S"/>
                  <bond atomRefs2="a223 a224" order="S"/>
                  <bond atomRefs2="a223 a225" order="S"/>
                  <bond atomRefs2="a224 a226" order="S"/>
               </bondArray>
               <formula concise="C218H4ClO2Pt">
                  <atomArray count="218 4 1 2 1" elementType="C H Cl O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2880.8623999999963</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C72H2O2.C72.C70.C2H2.C2.ClH.Pt/c1-13-33-17-37-22-40-20-36-16-24(4)42-31(11)66-32(12)47-29(9)44-26(6)34(14-2)18-38-21-39-19-35-15-23(3)41-27(7)45-30(10)46-28(8)43(25(33)5)48(37)57-52(40)61-53(36)64(42)70-71(66,73)68-60(47)58(49(38)44)51(39)59-50(35)54(41)62-56(45)63(55(46)57)67(61)72(70,74)69(62)65(59)68;1-23-7-29-15-37-19-33-11-25-3-5-27-13-35-21-39-17-31-9-24(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;2*1-2;;/h73-74H;;;1-2H;;1H;/q;;;;;;+1/p-1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:35,6,5,36,29,12,11,23,18,17,30,24,216,41,185,72,180,77,149,108,113,144,186,71,210,47,192,204,53,198,65,59,215,42,150,107,179,78,114,143,191,66,209,48,197,203,54,174,83,155,119,138,102,156,168,162,173,84,120,89,137,161,167,101,125,60,132,90,126,96,95,131,217,218;4,213,34,184,33,183,10,40,177,207,28,148,69,189,16,76,141,201,22,112,105,195,3,214,27,147,70,190,9,39,178,208,21,111,106,196,15,75,142,202,46,171,64,154,63,153,52,82,135,165,58,118,99,159,45,172,57,117,100,160,51,81,136,166,88,129,94,124,93,123,87,130;8,38,212,7,37,19,109,74,14,13,73,181,31,145,25,182,32,110,20,206,176,43,211,188,68,200,140,79,49,194,104,146,26,187,67,115,55,205,175,44,193,103,199,139,80,50,151,61,170,152,62,116,56,164,134,158,98,85,169,157,97,121,91,163,133,86,122,92,128,127;223,224;1,2;222;221/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);2*(1,2);;/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.2,14.2,15.2,16.2,17.2,18.2,19.2,20.2,21.2,22.2,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,61.3,62.3,63.3,64.3,65.3,66.3,67.3,68.3,69.3,70.3;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;1.2,2.2;1.1,2.1;;/rA:226C1C1C3C1C1C1C1C1C3C2C1C1C1C1C3C2C1C1C1C2C3C2C1C1C2C3C3C2C1C1C2C2C2C2C1C1C1C1C3C2C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C2C3C3C2C1C1C3C2C2C3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3CC3C3C3C3C3C3C3C3C3C2C3C3C2C1C2C3C2C2C3C3C3C3C3C3CC3C3C3C3CC3C3C3C3C3CC3C3C3C3C3C3C3C3C3C2C3C3C2C2C3C3C2C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C2C2C3C3C2C2C2C2C2C2C3C3C3C2C3C3C3C3C3C2C3C3C3C3C3C2C3C3C3C3C2C2C3C3C3C3C1C1C3C3C2OOHHPtClC3C3HH/rB:s1;;s3;;;;;;s3s9;;;;;;s9s15;;;;;;s15s21;;;s20;s25;;s21s27;;;s26;s31;;s27s33;;;;;;s3s39;s6;s41;s8s38;s43;;s9s39s45;s12s42;s47;s14s44;s49;;s15s45s51;s18s48;s53;s20s50;s55;;s21s51s57;s24s54;s59;s26s56;s61;;s27s57s63;s30s60;s65;s32s62;s37s67;;s33s63s69;s36s66;s71;;;;s39s75;s42;s77;s44s74;s79;;s45s75s81;s48s78;s83;s50s80;s85;;s51s81s87;s54s84;s89;s56s86;s91;;s57s87s93;s60s90;s95;s62s92;s97;;s63s93s99;s66s96;s101;s68s98;s73s103;;s69s99s105;s72s102;s107;;;;s75s111;s78;s113;s80s110;s115;;s81s111s117;s84s114;s119;s86s116;s121;;s87s117s123;s90s120;s125;s92s122;s127;;s93s123s129;s96s126;s131;s98s128;s133;;s99s129s135;s102s132;s137;s104s134;s109s139;;s105s135s141;s108s138;s143;s110;s145;;s111s147;s114;s149;s116s146;s151;;s117s147s153;s120s150;s155;s122s152;s157;;s123s153s159;s126s156;s161;s128s158;s163;;s129s159s165;s132s162;s167;s134s164;s169;;s135s165s171;s138s168;s173;s140s170;s175;;s141s171s177;s144s174;s179;s146;s181;;s147s183;s150;s5s185;s152s182;s7s187;;s153s183s189;s156s186;s11s191;s158s188;s13s193;;s159s189s195;s162s192;s17s197;s164s194;s19s199;;s165s195s201;s168s198;s23s203;s170s200;s205;;s171s201s207;s174s204;s29s209;s176s206;s211;;s177s207s213;s180s210;s35s215;s95;s131;s217;s218;s90s120s125;s221;s221;s221s223;s223;s224;/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">905.0000</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="7">PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE Pt 04Feb2005|PAW_PBE Cl 17Jan2003|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="7">C O H Pt Cl C H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="7">12.011 16.000 1.000 195.080 35.453 12.011 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="7">4.000 6.000 1.000 10.000 7.000 4.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="7">216 2 2 1 1 2 2</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">
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</module>
