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-1.4674725436668774 -0.09503972055013805 -1.4536768440826067 1001 2 327.0728068546892 27.0069375685391 327.3002659644762 0.06713275594023396 0.30308385065514354 -1.3431007154002406 1002 2 94.7050553410462 359.2060929563430 375.3738567458204 1.4174533417593729 0.21204925753361495 0.8365787336828313 1003 2 34.1334508827070 191.3918707425726 33.4580787791925 -0.5121517317045916 -0.06465880876360733 0.3630238798820291 1004 2 258.6181926318861 200.4502876628979 58.8501798815457 0.6544694947848386 -1.706551124312434 -1.7437619579716717 1005 2 111.8687543891432 143.9078526852273 324.5839013782673 -0.18042842121177052 0.09006529298203678 0.11659897074914401 1006 2 129.3774734431449 161.5992387502228 184.4836045232143 -0.6079229281341528 -2.1467824135428706 0.05460018281549651 1007 2 251.8378134990723 107.5942927865059 292.4161701368424 -1.1059911908548514 -0.8265529619887471 0.6359018916266758 1008 2 10.1399867842968 189.1050054352274 240.1262776744065 -0.3221209263705776 1.736592700614949 0.002871962449570197 1009 2 180.9908597034438 44.0760628975122 201.2144759699161 0.45505839328689857 -0.8293174171586464 -1.5713069143433813 1010 2 268.1917768762078 293.2746305821027 278.8507270753801 -0.8722473468019595 0.36290210530034217 1.3442956729538906 1011 2 312.3417357744491 127.4381072188314 218.9095376381622 1.0736145333626403 1.2645361186470243 -1.8876712096523234 1012 2 53.5755321986462 143.9808841844370 248.2937621999076 0.3249225218789932 -1.6150451853007464 -0.29743907263563907 1013 2 361.0228092686018 108.9445850183594 379.7302826652042 1.339169244031219 1.6997321442770064 -0.4129609907578031 1014 2 89.8032791618979 88.9739091313767 395.5786035836638 -0.9426761966075602 -1.6910006664820099 0.36964951118989064 1015 2 362.9302241550897 247.2099858161350 145.1239085720680 0.9987530305238542 0.8595224937111531 -0.3449479373622553 1016 2 255.9027617099971 202.2731774236133 350.3303597860910 1.8380169093347893 0.6418660508996632 0.9128779830329686 1017 2 281.6367998750734 36.0022963487308 15.4854832894697 -2.6843438564378648 1.4180110524355 -0.638251803229107 1018 2 128.1615871156431 246.4236027526135 181.0943621070453 -1.3294127206208577 -0.7103293462078536 0.20786645842507387 1019 2 73.1974247359108 15.4303520157348 315.1183099058333 1.2572696820236526 1.011484119518908 -0.6419161949536779 1020 2 116.9796481312052 316.7655810638803 271.8021393397327 -1.0491381168155784 -1.7424699942344521 -1.091724288341015 1021 2 286.5974005006606 195.8037887207203 308.3243669051168 1.0823850927347045 -0.3435843570718943 -0.20430096345581877 1022 2 46.2318030682737 310.6092174128893 172.5630727644764 -0.3808078565034926 -0.07378733451774723 0.9506360181418096 1023 2 247.9470399505236 32.5714181434582 395.5465332096490 -0.29355131155459374 -1.9070505467496845 1.145033671089642 1024 2 74.9605751499839 386.4520604864024 288.4070873775401 -1.4447359361231957 1.3129784672627747 0.9373373944302139 I.LIST OF BONDS K.LIST OF PARAMETERS Temperature Volume Number of Atoms No. of type 1 No. of type 3 Kin.E of type 1 Kin.E of type 3 Pressure