A.SYSTEM SIZE 400 400 B.NUMBER OF ATOMS 300 C.TYPES OF ATOMS //mass, ellastic radius, interaction radius, type 1 1.000000 3.000000 16.000000 2 1.000000 9.000000 16.000000 3 1.000000 9.000000 16.000000 D.NON-ELASTIC COLLISIONS //pair types, repulsive dist, interaction distance, energy 1 1 6.000000 32.000000 -1.000000 1 2 12.000000 32.000000 0.000000 1 3 12.000000 32.000000 1.000000 2 3 18.000000 32.000000 -1.000000 E.ELASTIC COLLISIONS //pair types, repulsive dist 2 2 18.000000 3 3 18.000000 F.LINKED PAIRS //pair types, repulsive dist, attractive distance 1 2 12.000000 32.000000 H.LIST OF ATOMS //x, y, z, Vx, Vy, Vz, type, no of linked atom, number 1 1 26.8196271765380 393.2942267876250 0.0000000000000 -4.720434 -66.584537 0.000000 2 2 7.4283337445451 3.9882477523058 0.0000000000000 85.481784 116.710911 0.000000 3 3 54.2237458712081 386.8384680922050 0.0000000000000 4.763792 20.069428 0.000000 4 3 76.1105959692958 395.2351608334776 0.0000000000000 -14.278527 75.476789 0.000000 5 3 22.0571973715624 24.4601494322481 0.0000000000000 -85.675632 141.162706 0.000000 6 3 53.8841227489775 5.2007283135750 0.0000000000000 -36.986439 67.908716 0.000000 7 1 82.4507890725893 383.6182952717437 0.0000000000000 39.096187 -48.603208 0.000000 8 2 93.1104692268345 10.9877371189667 0.0000000000000 -26.358721 -27.799562 0.000000 9 3 103.6367388807322 391.9503439787673 0.0000000000000 17.728511 -67.077150 0.000000 10 3 123.4931450180283 387.7285428670995 0.0000000000000 -72.446439 -4.337865 0.000000 11 3 76.9421149756383 21.0818739005197 0.0000000000000 126.555085 -97.855928 0.000000 12 3 122.9635404489587 5.9870873344046 0.0000000000000 127.338659 100.209359 0.000000 13 1 198.0942163988536 6.5324239832954 0.0000000000000 123.322645 -10.044902 0.000000 14 2 223.0924319621408 398.9454439805006 0.0000000000000 -14.110740 -71.415751 0.000000 15 3 212.2198143795653 382.9357687505396 0.0000000000000 -97.784297 -25.904741 0.000000 16 3 241.7051794561592 395.2524852778055 0.0000000000000 -43.208892 -42.380231 0.000000 17 3 177.8465001021545 7.4724863727253 0.0000000000000 38.845310 54.276647 0.000000 18 3 213.7014756651154 15.3146536066136 0.0000000000000 93.261371 -86.292268 0.000000 19 1 269.8360057338457 29.8263931692549 0.0000000000000 -53.211161 32.328950 0.000000 20 2 261.5590328173063 12.6991264001099 0.0000000000000 41.465258 -171.957467 0.000000 21 3 273.0464195434004 395.3946612101515 0.0000000000000 -84.014582 -61.679378 0.000000 22 3 300.8546094768172 3.3587644456092 0.0000000000000 -18.739230 -61.518722 0.000000 23 3 242.8921020694300 22.3486782447336 0.0000000000000 42.362015 -123.646899 0.000000 24 3 283.2126281844419 17.3308691336443 0.0000000000000 -5.367199 96.444641 0.000000 25 1 325.3806348057712 4.2535762074952 0.0000000000000 -142.057177 120.996669 0.000000 26 2 346.0699721333954 10.3811208157233 0.0000000000000 56.987433 16.744480 0.000000 27 3 371.3440811422206 1.0581994488566 0.0000000000000 7.704903 21.781871 0.000000 28 3 390.9515316357633 396.1466370680183 0.0000000000000 61.304785 -72.813526 0.000000 29 3 328.4990610239706 19.2516814557972 0.0000000000000 49.901182 -77.174111 0.000000 30 3 374.3083052231311 19.0083093999154 0.0000000000000 -0.572047 -62.022602 0.000000 31 1 45.5107623221414 41.1429400847074 0.0000000000000 29.979306 75.385107 0.000000 32 2 23.6204659335516 49.5935640927866 0.0000000000000 -63.193975 69.814218 0.000000 33 3 56.1365171391430 32.8217306645974 0.0000000000000 -67.950400 -72.595068 0.000000 34 3 80.0257099782417 39.1488839189482 0.0000000000000 31.209293 130.476497 0.000000 35 3 8.5232379824548 64.0924827961617 0.0000000000000 30.085217 33.802793 0.000000 36 3 62.0692813987190 52.5128617781081 0.0000000000000 120.337195 58.195722 0.000000 37 1 119.8738384084757 27.4034489599575 0.0000000000000 -27.448044 -77.595488 0.000000 38 2 99.3437527078242 42.9716641241886 0.0000000000000 -29.719712 12.541622 0.000000 39 3 142.1311244206899 11.4347272385359 0.0000000000000 20.334884 38.538746 0.000000 40 3 156.7877731455658 28.2885817333106 0.0000000000000 -39.218398 14.436257 0.000000 41 3 84.4332602992988 56.9586869245219 0.0000000000000 -13.766209 -50.037656 0.000000 42 3 127.1275338367680 39.2043436957106 0.0000000000000 96.060434 17.337300 0.000000 43 1 151.1199696555917 78.1172316724292 0.0000000000000 9.916351 30.688369 0.000000 44 2 168.5033415481263 55.2543353266667 0.0000000000000 -2.530040 75.974104 0.000000 45 3 185.9742276810786 36.6393764460267 0.0000000000000 -132.496929 107.898327 0.000000 46 3 217.4637877836241 36.1995729357669 0.0000000000000 -93.079467 83.612280 0.000000 47 3 149.0324832996501 54.1438474813761 0.0000000000000 -97.963177 -7.103085 0.000000 48 3 200.0560654646446 55.9425626220325 0.0000000000000 -16.377351 13.069426 0.000000 49 1 296.7370299275787 38.4299427189323 0.0000000000000 -26.327686 96.495040 0.000000 50 2 280.5075333261338 52.5806928329184 0.0000000000000 -33.005726 -12.582622 0.000000 51 3 309.6858051092520 19.3155618986177 0.0000000000000 31.859556 -45.873692 0.000000 52 3 329.2043971087097 42.0919219063711 0.0000000000000 74.265876 36.129335 0.000000 53 3 260.7946983516989 52.1103600038919 0.0000000000000 -117.465382 74.635493 0.000000 54 3 303.3042721623150 60.2317427914204 0.0000000000000 -85.671158 129.216836 0.000000 55 1 340.1658147250700 27.6967346520639 0.0000000000000 54.634537 -50.124213 0.000000 56 2 343.7772838137363 54.2154621009849 0.0000000000000 -174.716738 -74.028514 0.000000 57 3 357.8300965373293 33.5713452775915 0.0000000000000 48.367701 55.822258 0.000000 58 3 384.1377929128684 38.5353195883484 0.0000000000000 -3.028327 -72.955627 0.000000 59 3 322.2625055927095 69.4988054342948 0.0000000000000 -57.088244 101.351685 0.000000 60 3 373.1400024507072 56.8880605510076 0.0000000000000 -39.586713 -119.003160 0.000000 61 1 395.7465994846290 125.9519504739028 0.0000000000000 -138.398685 73.984333 0.000000 62 2 390.7184670057601 94.4310324969796 0.0000000000000 79.162713 -57.498590 0.000000 63 3 38.2024752096231 60.3411214130061 0.0000000000000 -132.476505 -57.946483 0.000000 64 3 66.3527509892631 73.6099511386949 0.0000000000000 -43.021848 -96.281115 0.000000 65 3 14.7002310909003 105.8158589872917 0.0000000000000 -60.197394 -49.214934 0.000000 66 3 43.0228614878263 86.4711510472250 0.0000000000000 -29.004845 -148.430660 0.000000 67 1 86.0259078482538 79.9630438953925 0.0000000000000 0.843081 -59.761222 0.000000 68 2 78.6391198519150 91.2233011121595 0.0000000000000 44.332529 38.691451 0.000000 69 3 96.9185530528686 72.0615898927629 0.0000000000000 -9.785118 -88.660790 0.000000 70 3 124.0489905957289 67.5411642840943 0.0000000000000 -97.654252 60.462809 0.000000 71 3 60.5264625448288 91.4113198098653 0.0000000000000 -84.939614 -28.665088 0.000000 72 3 107.2043588543016 87.7938343095499 0.0000000000000 3.400183 25.899829 0.000000 73 1 187.2585468440243 79.7222617242027 0.0000000000000 24.929504 -2.598718 0.000000 74 2 204.1442584853254 76.4302310370880 0.0000000000000 47.811775 -226.310683 0.000000 75 3 223.1315046918717 55.0163808734294 0.0000000000000 -83.805711 -59.527841 0.000000 76 3 244.1370008510738 78.1956802472357 0.0000000000000 14.344640 4.080209 0.000000 77 3 170.9178305165066 81.7916580341282 0.0000000000000 -91.443993 41.319484 0.000000 78 3 214.9051982748104 90.9905984838794 0.0000000000000 -55.504790 55.961436 0.000000 79 1 239.5185689326140 65.4886548194629 0.0000000000000 13.645353 95.064724 0.000000 80 2 246.3087293480051 96.2506463374513 0.0000000000000 15.798288 -12.061760 0.000000 81 3 269.4817425183302 67.8824699554625 0.0000000000000 -64.853761 27.681017 0.000000 82 3 296.0523582296003 78.5241336592661 0.0000000000000 -20.229467 56.275695 0.000000 83 3 230.4614117537012 105.5576845177110 0.0000000000000 -142.184524 -73.868551 0.000000 84 3 280.3354600004879 88.7330219901026 0.0000000000000 169.411949 -63.316037 0.000000 85 1 304.3151509833533 93.5146765871742 0.0000000000000 119.073716 -103.831434 0.000000 86 2 329.0585156454439 86.6079409241338 0.0000000000000 127.763804 -39.460258 0.000000 87 3 358.0789390432837 67.2995621436944 0.0000000000000 83.731959 1.847888 0.000000 88 3 376.0116874333246 76.9928102398990 0.0000000000000 -52.967925 21.825512 0.000000 89 3 312.1887907808892 103.0024423368046 0.0000000000000 -68.349909 -21.905316 0.000000 90 3 353.3889605324347 94.0065038217254 0.0000000000000 -115.409802 -30.208883 0.000000 91 1 397.9022786337894 144.7099913526838 0.0000000000000 -145.519050 -8.674970 0.000000 92 2 20.9607730389921 126.7445733785793 0.0000000000000 -32.177953 -43.032591 0.000000 93 3 47.6826668745146 110.6887001433936 0.0000000000000 17.548764 -19.518871 0.000000 94 3 66.1078127928097 109.9726013444857 0.0000000000000 25.719136 177.161209 0.000000 95 3 12.8570155386575 150.4496750085445 0.0000000000000 40.933955 43.364367 0.000000 96 3 55.6075407545053 129.4008085626569 0.0000000000000 25.754341 186.680399 0.000000 97 1 88.0579045145204 117.2563023626236 0.0000000000000 75.330730 -63.142738 0.000000 98 2 117.2765071746714 123.4061009749287 0.0000000000000 24.154306 -45.605538 0.000000 99 3 135.5343199985117 89.8670564911198 0.0000000000000 24.905106 58.245411 0.000000 100 3 160.1019549102210 103.8952761796662 0.0000000000000 -47.306261 191.329270 0.000000 101 3 83.6490780300931 130.9934119929242 0.0000000000000 -44.170871 30.235995 0.000000 102 3 133.6028567128568 112.9442807599645 0.0000000000000 17.742426 67.615074 0.000000 103 1 151.0000306865074 111.7974126315224 0.0000000000000 111.353491 -2.845619 0.000000 104 2 170.7862907175169 123.4014881550326 0.0000000000000 90.368763 146.807988 0.000000 105 3 181.0717948576609 107.8103287565585 0.0000000000000 8.191803 -53.055269 0.000000 106 3 206.1893279920397 108.5905000815953 0.0000000000000 57.983238 -133.422259 0.000000 107 3 151.2304500156673 132.4852482052657 0.0000000000000 -9.392781 -11.145679 0.000000 108 3 188.1120030559644 134.8235208083870 0.0000000000000 232.901710 -49.814348 0.000000 109 1 290.4942943353124 139.8022525293391 0.0000000000000 -43.707733 -49.076727 0.000000 110 2 266.8620510328488 122.1033978151057 0.0000000000000 33.925936 -40.262375 0.000000 111 3 293.6687131968476 106.3389443176481 0.0000000000000 -141.002686 -24.996302 0.000000 112 3 315.9968848861957 127.5579175796078 0.0000000000000 54.561892 26.564139 0.000000 113 3 251.6742436101295 134.0810092981583 0.0000000000000 -48.966155 90.314701 0.000000 114 3 298.7422187534703 149.1313339014738 0.0000000000000 -7.594494 -105.369222 0.000000 115 1 352.0164839086333 132.4264889457923 0.0000000000000 42.938070 3.305172 0.000000 116 2 334.2414739923824 132.3589945948052 0.0000000000000 4.254645 -11.100102 0.000000 117 3 344.5376055136265 116.8814707803851 0.0000000000000 104.570365 75.198686 0.000000 118 3 367.9956879124081 111.2046664011466 0.0000000000000 -10.906661 -72.538456 0.000000 119 3 316.1662783165371 154.5686080588563 0.0000000000000 32.020322 -90.360212 0.000000 120 3 364.6618049724641 137.9314561735556 0.0000000000000 18.300594 109.187858 0.000000 121 1 36.4200465422615 175.5031263993765 0.0000000000000 18.940438 -76.868204 0.000000 122 2 30.7933690506641 163.3608621841046 0.0000000000000 -47.250482 -0.115472 0.000000 123 3 38.1515874495536 142.5619543619953 0.0000000000000 -112.953939 -71.166382 0.000000 124 3 67.7468847984080 145.0228786621009 0.0000000000000 23.526626 22.490953 0.000000 125 3 12.7779884704762 186.2994487944651 0.0000000000000 7.009404 17.874292 0.000000 126 3 54.2009122809045 163.4480577020153 0.0000000000000 108.989324 62.223775 0.000000 127 1 86.9622442963979 147.0281689515780 0.0000000000000 -123.084007 121.755487 0.000000 128 2 88.6543208776255 164.2602099911884 0.0000000000000 128.972660 -61.867468 0.000000 129 3 99.1773184959535 142.2863312860234 0.0000000000000 -53.661205 -138.338934 0.000000 130 3 129.5681098301701 143.9425264926437 0.0000000000000 -43.387502 -30.852139 0.000000 131 3 71.8281692405003 170.8733290138900 0.0000000000000 -34.853194 48.912503 0.000000 132 3 114.7343779187691 160.6324331922002 0.0000000000000 20.521864 -38.023370 0.000000 133 1 204.1672616569706 150.3850035315063 0.0000000000000 27.687793 61.964283 0.000000 134 2 191.1462747663570 153.7883384968829 0.0000000000000 46.883458 48.266797 0.000000 135 3 210.3943239179169 131.3809853221207 0.0000000000000 130.564512 64.293137 0.000000 136 3 236.2882404935585 149.8542167153939 0.0000000000000 69.746639 28.323873 0.000000 137 3 170.2021243057649 169.1656020274455 0.0000000000000 -116.192906 -18.724787 0.000000 138 3 208.6346230853717 163.4491161828905 0.0000000000000 -111.284207 83.204876 0.000000 139 1 244.4991452896649 180.4462306962624 0.0000000000000 -12.344544 110.410588 0.000000 140 2 251.2958925125766 206.2146082120050 0.0000000000000 -73.137667 6.629547 0.000000 141 3 265.3048153697606 148.9126869101738 0.0000000000000 -93.341437 11.828064 0.000000 142 3 289.2761346815372 168.1699452118326 0.0000000000000 41.555886 -22.842526 0.000000 143 3 228.7490669832830 166.7341846232994 0.0000000000000 24.895571 -39.039483 0.000000 144 3 267.7519386886649 177.9104932152009 0.0000000000000 -27.061518 37.205475 0.000000 145 1 341.1880552057027 175.1259526601480 0.0000000000000 -167.397271 104.039167 0.000000 146 2 324.0258381780059 180.9319255286143 0.0000000000000 -36.733180 -49.182993 0.000000 147 3 352.0143043467427 163.8474216236169 0.0000000000000 76.208837 2.764013 0.000000 148 3 380.4219773908401 160.8782277100292 0.0000000000000 6.510077 37.735157 0.000000 149 3 304.4170084225052 184.6327425091614 0.0000000000000 12.032004 92.649840 0.000000 150 3 358.3329571716101 182.5225354125673 0.0000000000000 106.360490 -111.063387 0.000000 151 1 35.4620687529738 208.5787389176487 0.0000000000000 16.297558 115.602807 0.000000 152 2 20.0327104138874 206.5142333486660 0.0000000000000 -102.468626 -9.542059 0.000000 153 3 55.6808331683806 186.6921940522254 0.0000000000000 -128.594805 -1.311718 0.000000 154 3 79.1912587986698 193.7328331834772 0.0000000000000 -26.417321 40.078646 0.000000 155 3 20.0181689968122 226.7305526690571 0.0000000000000 -54.094015 -18.562862 0.000000 156 3 70.0100241829782 211.3011044981261 0.0000000000000 66.033809 -21.896195 0.000000 157 1 108.2197932253123 170.7621135665248 0.0000000000000 -29.671095 -93.439393 0.000000 158 2 107.3996061362277 194.5136581313814 0.0000000000000 2.072936 12.871509 0.000000 159 3 132.6479049930157 174.4147684377941 0.0000000000000 60.035804 -11.150072 0.000000 160 3 156.8780848460166 190.7882347632987 0.0000000000000 -12.951976 -27.988878 0.000000 161 3 99.4495616102901 214.4902914704248 0.0000000000000 75.675299 -24.550436 0.000000 162 3 130.7847911125923 193.2398349050172 0.0000000000000 -57.654809 62.147708 0.000000 163 1 143.6345841009426 201.0484954345809 0.0000000000000 40.246169 -27.702040 0.000000 164 2 174.3763999011776 208.9944814644120 0.0000000000000 31.955471 -36.613784 0.000000 165 3 188.1655450826656 193.6567598219000 0.0000000000000 89.052488 -13.562383 0.000000 166 3 211.8130965192444 186.9680705259086 0.0000000000000 -29.052264 -22.802425 0.000000 167 3 150.7647642460186 217.1163180360108 0.0000000000000 -39.040816 -68.701560 0.000000 168 3 198.8695827048255 213.6398168911116 0.0000000000000 -34.533680 50.720991 0.000000 169 1 271.3507662005556 192.9561398339201 0.0000000000000 -10.799644 84.848710 0.000000 170 2 286.2048468080673 217.2928509930699 0.0000000000000 -3.446369 101.227678 0.000000 171 3 289.1842477112061 198.9521158606434 0.0000000000000 -32.296516 -79.280379 0.000000 172 3 318.0953889833230 205.7683069647882 0.0000000000000 115.882269 -21.271168 0.000000 173 3 263.3582754189213 222.0783687815956 0.0000000000000 69.702031 -82.815486 0.000000 174 3 307.3591661920038 227.5082660081710 0.0000000000000 -28.258189 -31.673411 0.000000 175 1 306.8943107145234 212.1455683896504 0.0000000000000 -16.755153 -35.979837 0.000000 176 2 332.7144002763429 219.0115298085526 0.0000000000000 37.899220 -90.063849 0.000000 177 3 345.0025496006613 197.2500761351404 0.0000000000000 161.603548 -54.464533 0.000000 178 3 376.5440816042685 199.5048393800247 0.0000000000000 -100.648270 -70.679300 0.000000 179 3 323.4700460008995 236.3222044963615 0.0000000000000 -22.486429 -112.762815 0.000000 180 3 352.7225425669297 218.2306301681291 0.0000000000000 -1.405635 24.554225 0.000000 181 1 386.8266717959681 296.6985608584876 0.0000000000000 -115.415618 57.852223 0.000000 182 2 394.9337053682371 276.4490433385091 0.0000000000000 -47.825292 32.696826 0.000000 183 3 48.7256645949982 227.2011609714466 0.0000000000000 -24.178967 28.863048 0.000000 184 3 74.9199461939973 229.2172845174885 0.0000000000000 29.190953 15.072565 0.000000 185 3 6.3544922151561 255.8034275928157 0.0000000000000 51.957090 163.505798 0.000000 186 3 55.4604763078042 244.0570519692798 0.0000000000000 -61.229319 -2.304787 0.000000 187 1 86.1300951899086 240.8983535140876 0.0000000000000 -6.398487 -59.383312 0.000000 188 2 94.5059819970193 251.1889030512385 0.0000000000000 -11.178331 -48.704549 0.000000 189 3 105.2954175288266 232.1204001411337 0.0000000000000 55.168778 -74.824757 0.000000 190 3 133.3706196699265 224.0739689114501 0.0000000000000 -9.977217 -66.259025 0.000000 191 3 75.3666940896463 250.5192943695882 0.0000000000000 -102.920568 -46.842989 0.000000 192 3 120.1774432133511 245.1202340043351 0.0000000000000 -4.351397 -19.702558 0.000000 193 1 173.1846308784717 222.3926426267238 0.0000000000000 -7.603654 6.985778 0.000000 194 2 197.8907810206775 239.3181950004279 0.0000000000000 115.373274 -136.286196 0.000000 195 3 230.3680354976192 212.0673063433560 0.0000000000000 -76.729965 -0.466474 0.000000 196 3 244.0234260798472 228.9121993207193 0.0000000000000 -112.336261 -99.439095 0.000000 197 3 170.3939992329517 246.9443969813897 0.0000000000000 46.508727 -49.337406 0.000000 198 3 218.6761260546825 243.1380632086725 0.0000000000000 10.879647 -75.176498 0.000000 199 1 264.8019725729815 262.2596980996280 0.0000000000000 20.146772 32.003285 0.000000 200 2 263.1722516542781 285.2289442761975 0.0000000000000 -11.261376 8.965556 0.000000 201 3 273.7201225364655 237.6953146592715 0.0000000000000 -23.998441 -26.489180 0.000000 202 3 292.7874004091535 243.3291004506028 0.0000000000000 -5.364477 31.842341 0.000000 203 3 237.2478659672034 249.1591170635245 0.0000000000000 30.399640 -151.667603 0.000000 204 3 279.9595375874638 256.7446145391106 0.0000000000000 -61.013823 34.554116 0.000000 205 1 345.0844212468946 233.5093370697315 0.0000000000000 -10.219291 21.812007 0.000000 206 2 332.1561682199735 257.5997126040533 0.0000000000000 86.149271 52.519035 0.000000 207 3 361.8212715686134 238.8363583702639 0.0000000000000 17.679113 -18.629585 0.000000 208 3 379.3678444207237 232.1289251080276 0.0000000000000 26.583885 90.906302 0.000000 209 3 313.4998373194125 266.8379967097911 0.0000000000000 51.340634 28.328245 0.000000 210 3 373.7421423214968 254.6661589245452 0.0000000000000 -66.780541 19.582715 0.000000 211 1 24.6354490564051 269.1917594970734 0.0000000000000 182.991571 60.862213 0.000000 212 2 33.0879379925535 239.6862744593144 0.0000000000000 12.179697 -24.056044 0.000000 213 3 60.9359278300900 264.1946898697226 0.0000000000000 30.875241 18.281716 0.000000 214 3 84.0290375589341 267.3829511312486 0.0000000000000 58.346598 135.834997 0.000000 215 3 16.7573577026736 293.2805422825460 0.0000000000000 -37.437001 -2.064200 0.000000 216 3 67.0585134892355 283.3540860331377 0.0000000000000 -5.056780 101.566267 0.000000 217 1 144.1196040178080 276.7058988187773 0.0000000000000 72.299824 -14.261222 0.000000 218 2 113.8428048394100 283.9496987362874 0.0000000000000 2.363895 -3.316710 0.000000 219 3 135.4746542163399 255.2566256644429 0.0000000000000 -112.389850 -122.401063 0.000000 220 3 161.5483196138434 272.9113720929324 0.0000000000000 -31.818559 5.554325 0.000000 221 3 86.3466205251472 287.4982805561288 0.0000000000000 -5.742684 -98.115312 0.000000 222 3 132.7667077457289 285.4844210726579 0.0000000000000 64.138768 -32.534486 0.000000 223 1 176.4832373102421 264.4044897414861 0.0000000000000 -43.361725 -50.916339 0.000000 224 2 186.2790717392632 286.0750096196895 0.0000000000000 48.784070 -0.784831 0.000000 225 3 190.6387062301354 266.8431239731171 0.0000000000000 38.295476 -32.973636 0.000000 226 3 211.2282927534918 265.8122594603640 0.0000000000000 29.794407 112.296441 0.000000 227 3 157.4566246651592 292.2437425747736 0.0000000000000 93.781100 42.635039 0.000000 228 3 206.3106567912312 287.1458905098275 0.0000000000000 -44.433912 -25.491226 0.000000 229 1 296.4024046403683 316.8163652077665 0.0000000000000 76.977072 112.158503 0.000000 230 2 297.4551276519238 292.3202348560400 0.0000000000000 130.116286 34.629345 0.000000 231 3 294.3119123850078 270.8193222682073 0.0000000000000 -25.748928 212.973796 0.000000 232 3 321.6193871875847 284.5640162320322 0.0000000000000 157.267049 -63.100975 0.000000 233 3 276.0378377622171 300.0297895057653 0.0000000000000 -39.621151 -13.828642 0.000000 234 3 307.3508957430861 307.9068625978253 0.0000000000000 -83.135975 26.223240 0.000000 235 1 353.1658923604829 303.5101911735502 0.0000000000000 75.439879 -59.949998 0.000000 236 2 345.6373787712706 290.0439409532398 0.0000000000000 -72.995134 138.695153 0.000000 237 3 346.7460434064628 271.5583917048086 0.0000000000000 25.013765 -54.367332 0.000000 238 3 365.0968055815536 271.5485524193113 0.0000000000000 23.696745 60.333463 0.000000 239 3 326.4979826509557 308.2073745926732 0.0000000000000 64.170598 10.084706 0.000000 240 3 368.0561838854081 290.5436990860314 0.0000000000000 -89.352668 -87.821305 0.000000 241 1 384.5927474790612 331.2526636998566 0.0000000000000 -70.597986 74.163719 0.000000 242 2 399.0426136560147 327.8831034847625 0.0000000000000 -49.960864 104.342055 0.000000 243 3 46.7959205884449 301.6389909707877 0.0000000000000 88.907819 -53.183166 0.000000 244 3 74.7445010358480 305.8938412797073 0.0000000000000 22.601838 -96.613724 0.000000 245 3 9.8189434331298 342.8119807026464 0.0000000000000 -136.942108 -13.632745 0.000000 246 3 50.5579809511979 326.6190284717018 0.0000000000000 -16.279125 -47.735947 0.000000 247 1 85.6677121720402 320.7542646115621 0.0000000000000 -20.331531 -12.029636 0.000000 248 2 96.2376348283438 329.6374971029245 0.0000000000000 -81.061060 -60.518119 0.000000 249 3 105.2575646685277 306.3822765760727 0.0000000000000 -49.161721 -34.863986 0.000000 250 3 133.2069870577331 307.4200921954830 0.0000000000000 -104.248895 59.647365 0.000000 251 3 74.7211496203213 328.5537703798379 0.0000000000000 39.403562 73.953364 0.000000 252 3 119.3101570666999 324.9969978187669 0.0000000000000 -25.647760 123.994503 0.000000 253 1 200.6842798969617 307.2301458176587 0.0000000000000 67.328450 6.822141 0.000000 254 2 187.4881240210881 324.5754529774550 0.0000000000000 138.304714 -41.571677 0.000000 255 3 230.3439255102761 286.9165032577488 0.0000000000000 -91.433902 52.937785 0.000000 256 3 248.8215296133779 312.2582768879352 0.0000000000000 111.877610 6.825431 0.000000 257 3 165.8538678314394 332.7621614749267 0.0000000000000 44.044800 15.922542 0.000000 258 3 222.6090364914807 321.7291423616263 0.0000000000000 81.686543 -16.141985 0.000000 259 1 266.6330497606088 309.0288755754925 0.0000000000000 -41.129723 -47.612503 0.000000 260 2 259.8890240915189 332.4569763336569 0.0000000000000 7.709529 46.855574 0.000000 261 3 276.2472655590511 318.3440528991782 0.0000000000000 -111.680832 -50.349647 0.000000 262 3 305.0869162409121 329.0966038125595 0.0000000000000 -29.304026 27.584128 0.000000 263 3 234.0509145638014 335.8024207021161 0.0000000000000 -52.040052 74.069260 0.000000 264 3 281.4506330332772 343.3263074719503 0.0000000000000 41.182304 152.009186 0.000000 265 1 348.3811431926486 310.8297450425876 0.0000000000000 15.921398 41.861918 0.000000 266 2 344.0528873528901 327.6298385797724 0.0000000000000 97.657878 -61.600551 0.000000 267 3 362.7129153465351 313.1861365819196 0.0000000000000 -14.068129 -13.633707 0.000000 268 3 382.7022887700949 309.0165213499729 0.0000000000000 -53.823037 -63.935874 0.000000 269 3 321.8921324390177 342.0592232408665 0.0000000000000 75.866614 46.481504 0.000000 270 3 368.6435418085719 333.8538723241802 0.0000000000000 80.681499 -67.448603 0.000000 271 1 24.5646542216277 357.2060447841608 0.0000000000000 -43.352026 91.364913 0.000000 272 2 45.7212907079820 356.0806888536793 0.0000000000000 -75.832022 -50.464145 0.000000 273 3 60.8386853315206 344.1474995207730 0.0000000000000 121.793901 -82.021429 0.000000 274 3 82.9156739830435 352.2133433258583 0.0000000000000 111.176787 -75.119997 0.000000 275 3 22.6452686378313 378.7705093086252 0.0000000000000 -117.881170 -62.003581 0.000000 276 3 65.3639939632846 363.3011041410259 0.0000000000000 -20.701541 60.979113 0.000000 277 1 111.2675475881101 345.0481041494584 0.0000000000000 21.747899 19.991759 0.000000 278 2 123.9350882573904 355.3924149327923 0.0000000000000 77.726379 6.852396 0.000000 279 3 134.1807485558174 339.0404452798823 0.0000000000000 1.321180 -116.539466 0.000000 280 3 155.4860256158038 350.0230336321265 0.0000000000000 76.197340 68.392384 0.000000 281 3 88.2934833980488 371.7731255481189 0.0000000000000 -23.666095 -43.123390 0.000000 282 3 136.3546399144701 369.0810845659532 0.0000000000000 28.075073 -28.177361 0.000000 283 1 172.5146258805836 364.3726039577232 0.0000000000000 64.337896 49.066957 0.000000 284 2 181.5096245388154 373.9332184600407 0.0000000000000 -124.625589 47.017518 0.000000 285 3 183.4234169569408 349.4542008815656 0.0000000000000 87.648059 -39.598576 0.000000 286 3 202.3719567611749 338.2479481150530 0.0000000000000 -31.842279 36.813083 0.000000 287 3 155.6639433703246 376.5050635589787 0.0000000000000 -130.087582 52.007172 0.000000 288 3 199.8869272932992 362.1301778099674 0.0000000000000 20.515671 -18.285006 0.000000 289 1 273.3868809632020 366.1649342992904 0.0000000000000 77.157378 5.993783 0.000000 290 2 289.8848066251735 368.3578604993669 0.0000000000000 125.017430 -28.092963 0.000000 291 3 304.6786480802215 347.3219180096593 0.0000000000000 -128.242023 -1.517195 0.000000 292 3 331.6823747459041 363.4877742246700 0.0000000000000 66.617078 36.725111 0.000000 293 3 262.3043403061875 373.3568843031167 0.0000000000000 -38.063451 -102.084526 0.000000 294 3 319.5265206611417 378.4471277972822 0.0000000000000 -38.859388 -61.062267 0.000000 295 1 384.5429611670737 371.5138664128310 0.0000000000000 7.092530 39.381208 0.000000 296 2 356.4740658175743 371.2839408067266 0.0000000000000 154.359074 23.789731 0.000000 297 3 355.3352813759481 352.2487863159062 0.0000000000000 30.406238 -73.638044 0.000000 298 3 374.0609792128211 357.6192474029207 0.0000000000000 -18.962397 -31.072452 0.000000 299 3 339.1973845869253 387.1564586292372 0.0000000000000 -39.946895 39.233749 0.000000 300 3 374.1190813701639 378.0298428141899 0.0000000000000 -25.967578 8.627214 0.000000 I.LIST OF BONDS 2 1 8 7 14 13 20 19 26 25 32 31 38 37 44 43 50 49 56 55 62 61 68 67 74 73 80 79 86 85 92 91 98 97 104 103 110 109 116 115 122 121 128 127 134 133 140 139 146 145 152 151 158 157 164 163 170 169 176 175 182 181 188 187 194 193 200 199 206 205 212 211 218 217 224 223 230 229 236 235 242 241 248 247 254 253 260 259 266 265 272 271 278 277 284 283 290 289 296 295 K.LIST OF PARAMETERS Temperature Number of Atoms Potential Energy Total Energy