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                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a125 a148" order="S"/>
                  <bond atomRefs2="a126 a151" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a128 a129" order="S"/>
                  <bond atomRefs2="a129 a152" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a130 a131" order="S"/>
                  <bond atomRefs2="a130 a155" order="S"/>
                  <bond atomRefs2="a131 a132" order="S"/>
                  <bond atomRefs2="a132 a133" order="S"/>
                  <bond atomRefs2="a133 a156" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a134 a135" order="S"/>
                  <bond atomRefs2="a134 a159" order="S"/>
                  <bond atomRefs2="a135 a136" order="S"/>
                  <bond atomRefs2="a136 a137" order="S"/>
                  <bond atomRefs2="a137 a138" order="S"/>
                  <bond atomRefs2="a137 a160" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a138 a163" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a140 a141" order="S"/>
                  <bond atomRefs2="a141 a164" order="S"/>
                  <bond atomRefs2="a142 a165" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a144 a145" order="S"/>
                  <bond atomRefs2="a145 a146" order="S"/>
                  <bond atomRefs2="a145 a168" order="S"/>
                  <bond atomRefs2="a146 a171" order="S"/>
                  <bond atomRefs2="a146 a147" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
                  <bond atomRefs2="a149 a150" order="S"/>
                  <bond atomRefs2="a149 a172" order="S"/>
                  <bond atomRefs2="a150 a175" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a151 a152" order="S"/>
                  <bond atomRefs2="a152 a153" order="S"/>
                  <bond atomRefs2="a153 a176" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a154 a155" order="S"/>
                  <bond atomRefs2="a154 a179" order="S"/>
                  <bond atomRefs2="a155 a156" order="S"/>
                  <bond atomRefs2="a156 a157" order="S"/>
                  <bond atomRefs2="a157 a180" order="S"/>
                  <bond atomRefs2="a157 a158" order="S"/>
                  <bond atomRefs2="a158 a183" order="S"/>
                  <bond atomRefs2="a158 a159" order="S"/>
                  <bond atomRefs2="a159 a160" order="S"/>
                  <bond atomRefs2="a160 a161" order="S"/>
                  <bond atomRefs2="a161 a184" order="S"/>
                  <bond atomRefs2="a161 a162" order="S"/>
                  <bond atomRefs2="a162 a163" order="S"/>
                  <bond atomRefs2="a162 a187" order="S"/>
                  <bond atomRefs2="a163 a164" order="S"/>
                  <bond atomRefs2="a164 a165" order="S"/>
                  <bond atomRefs2="a165 a188" order="S"/>
                  <bond atomRefs2="a166 a189" order="S"/>
                  <bond atomRefs2="a167 a168" order="S"/>
                  <bond atomRefs2="a168 a169" order="S"/>
                  <bond atomRefs2="a169 a170" order="S"/>
                  <bond atomRefs2="a169 a192" order="S"/>
                  <bond atomRefs2="a170 a195" order="S"/>
                  <bond atomRefs2="a170 a171" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a172 a173" order="S"/>
                  <bond atomRefs2="a173 a196" order="S"/>
                  <bond atomRefs2="a173 a174" order="S"/>
                  <bond atomRefs2="a174 a175" order="S"/>
                  <bond atomRefs2="a174 a199" order="S"/>
                  <bond atomRefs2="a175 a176" order="S"/>
                  <bond atomRefs2="a176 a177" order="S"/>
                  <bond atomRefs2="a177 a200" order="S"/>
                  <bond atomRefs2="a177 a178" order="S"/>
                  <bond atomRefs2="a178 a179" order="S"/>
                  <bond atomRefs2="a178 a203" order="S"/>
                  <bond atomRefs2="a179 a180" order="S"/>
                  <bond atomRefs2="a180 a181" order="S"/>
                  <bond atomRefs2="a181 a182" order="S"/>
                  <bond atomRefs2="a181 a204" order="S"/>
                  <bond atomRefs2="a182 a207" order="S"/>
                  <bond atomRefs2="a182 a183" order="S"/>
                  <bond atomRefs2="a183 a184" order="S"/>
                  <bond atomRefs2="a184 a185" order="S"/>
                  <bond atomRefs2="a185 a208" order="S"/>
                  <bond atomRefs2="a185 a186" order="S"/>
                  <bond atomRefs2="a186 a187" order="S"/>
                  <bond atomRefs2="a186 a211" order="S"/>
                  <bond atomRefs2="a187 a188" order="S"/>
                  <bond atomRefs2="a188 a189" order="S"/>
                  <bond atomRefs2="a189 a212" order="S"/>
                  <bond atomRefs2="a190 a213" order="S"/>
                  <bond atomRefs2="a191 a192" order="S"/>
                  <bond atomRefs2="a192 a193" order="S"/>
                  <bond atomRefs2="a193 a194" order="S"/>
                  <bond atomRefs2="a194 a195" order="S"/>
                  <bond atomRefs2="a195 a196" order="S"/>
                  <bond atomRefs2="a197 a198" order="S"/>
                  <bond atomRefs2="a199 a200" order="S"/>
                  <bond atomRefs2="a201 a202" order="S"/>
                  <bond atomRefs2="a203 a204" order="S"/>
                  <bond atomRefs2="a205 a206" order="S"/>
                  <bond atomRefs2="a207 a208" order="S"/>
                  <bond atomRefs2="a210 a211" order="S"/>
                  <bond atomRefs2="a211 a212" order="S"/>
                  <bond atomRefs2="a212 a213" order="S"/>
               </bondArray>
               <formula concise="C206N7Pt">
                  <atomArray count="206 7 1" elementType="C N Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2767.329099999997</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C206N7.Pt/c1-16-57-41(3)74-46(8)77-49(11)80-50(12)78-47(9)75-44(6)70-36-54-18-17-19-68-84-43(5)58-24-25-59-60-28-29-65-66-23-22-56(39-210-209-35-34-207)204-100(66)125-121-94(65)92(60)115-114-89(59)88(58)113-110(84)133-111(86(54)68)98(70)123-102(75)127-105(78)130-107(80)129-104(77)126-101(74)83(42(57)4)69-33-32-64-62-27-26-61-63-30-31-67-71-37-55-21-20-40(2)73-45(7)76-48(10)79-51(13)81-52(14)82-53(15)85-72(38-208)212-213-206-201(85)198-109(82)132-108(81)131-106(79)128-103(76)112(87(55)73)99(71)124-120-96(67)93(63)118-116-90(61)91(62)117-119-95(64)97(69)122(126)143-140(119)158-155-137(117)136(116)154-156-138(118)141(120)159-161(145(124)128)148(131)164-150(132)193-191-189-174(164)171(159)170(156)179-178-168(154)169(155)177-176-166(158)162(146(129)143)149(130)163-147(127)160-144(123)151(133)152-134(113)135(114)153-157-139(115)142(121)195-192-173(157)182-180-167(153)165(152)172(160)181(175(163)176)183(180)184(177)185(178)187(182)188(186(179)189)190(192)194(191)197-199(195)202(125)205(211-204)203(206)200(197)196(193)198;/q-2;+2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:190,191,166,210,209,46,167,142,70,143,118,94,119,95,71,213,23,24,22,193,194,197,198,206,205,203,204,202,201,200,199,207,208,2,3,45,196,47,6,192,189,211,19,69,168,165,93,144,141,117,120,96,72,44,195,7,212,18,15,14,178,181,177,182,11,10,174,21,185,68,173,48,169,188,92,145,164,116,121,140,97,73,186,20,49,43,170,17,16,179,180,13,176,12,183,175,184,67,172,9,187,91,146,163,115,122,139,98,74,40,42,171,39,36,35,154,157,153,158,150,32,161,66,149,31,162,90,147,138,114,123,99,41,38,37,155,156,152,34,159,151,33,160,65,148,137,89,124,113,100,64,63,60,130,133,129,59,134,126,88,125,136,112,101,62,135,61,131,132,128,127,87,58,102,111,110,109,106,105,84,86,83,85,108,107,104,82,81,103,80,78,57,77,79,56,76,54,75,55,53,50,30,52,8,29,51,1,25,4,5,28,26,27;214/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.2,17.2,18.2,19.2,20.2,21.2,22.2,23.2,24.2,25.2,26.2,27.2,28.2,29.2,30.2,31.2,32.2,33.2,34.2,35.2,36.2,37.2,38.2,39.2,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,61.3,62.3,63.3,64.3,65.3,66.3,67.3,68.3,69.3,70.3,71.3,72.3,73.3,74.3,75.3,76.3,77.3,78.3,79.3,80.3,81.3,82.3,83.3,84.3,85.3,86.3,87.3,88.3,89.3,90.3,91.3,92.3,93.3,94.3,95.3,96.3,97.3,98.3,99.3,100.3,101.3,102.3,103.3,104.3,105.3,106.3,107.3,108.3,109.3,110.3,111.3,112.3,113.3,114.3,115.3,116.3,117.3,118.3,119.3,120.3,121.3,122.3,123.3,124.3,125.3,126.3,127.3,128.3,129.3,130.3,131.3,132.3,133.3,134.3,135.3,136.3,137.3,138.3,139.3,140.3,141.3,142.3,143.3,144.3,145.3,146.3,147.3,148.3,149.3,150.3,151.3,152.3,153.3,154.3,155.3,156.3,157.3,158.3,159.3,160.3,161.3,162.3,163.3,164.3,165.3,166.3,167.3,168.3,169.3,170.3,171.3,172.3,173.3,174.3,175.3,176.3,177.3,178.3,179.3,180.3,181.3,182.3,183.3,184.3,185.3,186.3,187.3,188.3,189.3,190.3,191.3,192.3,193.3,194.3,195.3,196.3,197.3,198.3,199.3,200.3,201.3,202.3,203.3,204.3,205.3,206.3,207.1,208.1,209-1,210.2,211.2,212-1,213.2;/rA:214N2C2C2NN2C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C2C2C2N2NN2N2C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C2C1C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C1C1C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C1C1C3C2C2C3C2C2C2C2C2C2C2C2C2C2C2C2C2C1C1C3C3C2Pt/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;;;s26;s8;s28;s29;s9s30;s12s31;s32;s33;s13s34;s16s35;s36;s37;s17s38;s20s39;s40;s41;s21s42;s24s43;s44;;s25;s26s47;s48;s49;s27s50;s29s51;s52;s53;s30s54;s33s55;s56;s57;s34s58;s37s59;s60;s61;s38s62;s41s63;s64;s65;s42s66;s45s67;s46s68;;;s49s71;s72;s73;s50s74;s53s75;s76;s77;s54s78;s57s79;s80;s81;s58s82;s61s83;s84;s85;s62s86;s65s87;s88;s89;s66s90;s69s91;s70s92;;;s73s95;s96;s97;s74s98;s77s99;s100;s101;s78s102;s81s103;s104;s105;s82s106;s85s107;s108;s109;s86s110;s89s111;s112;s113;s90s114;s93s115;s94s116;;;s97s119;s120;s121;s98s122;s101s123;s124;s125;s102s126;s105s127;s128;s129;s106s130;s109s131;s132;s133;s110s134;s113s135;s136;s137;s114s138;s117s139;s118s140;;;s121s143;s144;s145;s122s146;s125s147;s148;s149;s126s150;s129s151;s152;s153;s130s154;s133s155;s156;s157;s134s158;s137s159;s160;s161;s138s162;s141s163;s142s164;;;s145s167;s168;s169;s146s170;s149s171;s172;s173;s150s174;s153s175;s176;s177;s154s178;s157s179;s180;s181;s158s182;s161s183;s184;s185;s162s186;s165s187;s166s188;;;s169s191;s192;s193;s170s194;s173s195;s7;s10s197;s174;s177s199;s11;s14s201;s178;s181s203;s15;s18s205;s182;s185s207;s19;;s186s210;s189s211;s190s212;s1s4s25s26;/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">0.2000</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">869.0000</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">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</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 N 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE Pt 04Feb2005</array>
                  <array dictRef="cc:atomType" size="7">N C N C N C Pt</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="7">14.001 12.011 14.001 12.011 14.001 12.011 195.080</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="7">5.000 4.000 5.000 4.000 5.000 4.000 10.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="7">1 2 2 19 4 185 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">Aut_ mesh</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">2 1 2</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="4">1 2 3 4</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
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               </formula>
               <property dictRef="cml:molmass">
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               <formula convention="iupac:inchi"
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         </module>
      </module>
   </module>
</module>
