# Pair potential lj/cut for atom types 1 1: i,r,energy,force lj_1_1 N 1000 R 0.1 8 1 0.1 4.7683715625e+15 5.72204588671874e+17 2 0.107907907907908 1.91306980364015e+15 2.12744720595463e+17 3 0.115815815815816 818758153812917 8.483381846517e+16 4 0.123723723723724 370624644685218 3.59469925010097e+16 5 0.131631631631632 176216636146732 1.60645251454931e+16 6 0.13953953953954 87498911727066.6 7.5246554493731e+15 7 0.147447447447447 45156780344098.8 3.67508142673229e+15 8 0.155355355355355 24124333392883.4 1.86341827990272e+15 9 0.163263263263263 13295613555109.4 977239861928053 10 0.171171171171171 7537070547533.43 528388341393121 11 0.179079079079079 4383608943257.5 293743474350791 12 0.186986986986987 2609957353176.83 167495564715195 13 0.194894894894895 1587685337537.87 97756414805415 14 0.202802802802803 985105023439.824 58289440788166.5 15 0.210710710710711 622487438523.416 35450739907939.8 16 0.218618618618619 400059094076.823 21959292546299 17 0.226526526526527 261180688238.07 13835770910410 18 0.234434434434434 173026636540.21 8856720854201.01 19 0.242342342342342 116203207576.026 5754005081973.22 20 0.25025025025025 79045182918.3383 3790376517900.41 21 0.258158158158158 54417591670.7799 2529501684512.61 22 0.266066066066066 37887469469.4508 1708785981928.77 23 0.273973973973974 26659845517.3526 1167696400722.89 24 0.281881881881882 18947994576.6846 806636336486.644 25 0.28978978978979 13594776730.5322 562951230117.615 26 0.297697697697698 9841541798.19788 396706695576.248 27 0.305605605605606 7185100531.85252 282132751009.384 28 0.313513513513514 5288021593.73702 202403978768.903 29 0.321421421421421 3921663457.88068 146412356593.302 30 0.329329329329329 2929563424.77724 106746802731.111 31 0.337237237237237 2203642812.42107 78413029447.1573 32 0.345145145145145 1668575478.1314 58013202101.0793 33 0.353053053053053 1271413998.50934 43214549094.447 34 0.360960960960961 974638014.489749 32401590254.2695 35 0.368868868868869 751452549.748062 24446294819.2204 36 0.376776776776777 582579882.335486 18554751726.9931 37 0.384684684684685 454051977.531968 14163963654.5593 38 0.392592592592593 355679114.799935 10871782769.035 39 0.4005005005005 279979344.255808 8388954628.63723 40 0.408408408408408 221424533.157439 6506035615.81756 41 0.416316316316316 175905591.154429 5070398443.00919 42 0.424224224224224 140350560.907373 3970133575.40663 43 0.432132132132132 112450083.468607 3122699974.22203 44 0.44004004004004 90458801.508926 2466870421.43271 45 0.447947947947948 73050821.1235809 1956978176.68385 46 0.455855855855856 59213900.7343495 1558781923.86649 47 0.463763763763764 48171553.132633 1246476032.71774 48 0.471671671671672 39325384.7454088 1000516434.96982 49 0.47957957957958 32212190.3203824 806030807.649113 50 0.487487487487487 26471865.071865 651649777.172213 51 0.495395395395395 21823289.2677065 528643184.320127 52 0.503303303303303 18046118.533895 430278582.40391 53 0.511211211211211 14966970.5509314 351342475.169791 54 0.519119119119119 12448900.2132394 287781329.988136 55 0.527027027027027 10383345.9224671 236431175.969894 56 0.534934934934935 8683941.15767834 194813029.214066 57 0.542842842842843 7281740.12553267 160977458.49267 58 0.550750750750751 6121519.95237291 133385997.885638 59 0.558658658658659 5158905.79978787 110820307.60639 60 0.566566566566567 4358127.52936926 92312318.5787716 61 0.574474474474475 3690262.9136975 77090309.8865711 62 0.582382382382382 3131857.08506257 64537131.7665991 63 0.59029029029029 2663833.97962174 54157722.616009 64 0.598198198198198 2270635.19772175 45553764.4973724 65 0.606106106106106 1939536.59229768 38403841.434083 66 0.614014014014014 1660104.21780749 32447854.5630435 67 0.621921921921922 1423759.91028856 27474741.6237778 68 0.62982982982983 1223433.38431815 23312769.9770402 69 0.637737737737738 1053282.81653566 19821840.5026571 70 0.645645645645646 908469.805840438 16887367.7232474 71 0.653553553553553 784977.633775452 14415399.271213 72 0.661461461461461 679464.103307017 12328712.7546324 73 0.669369369369369 589142.06787952 10563685.7073452 74 0.677277277277277 511682.19497681 9067778.77168286 75 0.685185185185185 445133.630675098 7797506.67607267 76 0.693093093093093 387859.113555471 6716798.28798504 77 0.701001001001001 338481.781337121 5795667.82903127 78 0.708908908908909 295841.462841431 5009135.58941868 79 0.716816816816817 258958.68315741 4336349.20765011 80 0.724724724724725 227004.955732786 3759866.57962482 81 0.732632632632633 199278.210647615 3265069.33647667 82 0.740540540540541 175182.428399209 2839682.05009548 83 0.748448448448448 154210.724742198 2473377.2502881 84 0.756356356356356 135931.273571328 2157450.24744893 85 0.764264264264264 119975.56864031 1884550.86645992 86 0.772172172172172 106028.616692856 1648461.68032085 87 0.78008008008008 93820.7287734827 1443914.31766366 88 0.787987987987988 83120.6365920669 1266437.0101157 89 0.795895895895896 73729.709618557 1112227.82450872 90 0.803803803803804 65477.0882938859 978049.054966574 91 0.811711711711712 58215.5811223496 861139.081256272 92 0.81961961961962 51818.1998671935 759138.672233474 93 0.827527527527528 46175.228732096 670029.258286481 94 0.835435435435435 41191.7411810631 592081.13942874 95 0.843343343343343 36785.4926553132 523809.956054305 96 0.851251251251251 32885.1294742206 463940.04326968 97 0.859159159159159 29428.6641317007 411373.529878925 98 0.867067067067067 26362.1754026781 365164.239729889 99 0.874974974974975 23638.6984671487 324495.61442312 100 0.882882882882883 21217.2758942541 288662.008937413 101 0.890790790790791 19062.1450112306 257052.820857068 102 0.898698698698699 17142.0410796926 229139.003894517 103 0.906606606606607 15429.5989514307 204461.590769304 104 0.914514514514514 13900.838589891 182621.912054221 105 0.922422422422422 12534.7221137217 163273.248627132 106 0.93033033033033 11312.771920792 146113.697741755 107 0.938238238238238 10218.7410471034 130880.067977207 108 0.946146146146146 9238.32825630316 117342.647690511 109 0.954054054054054 8358.93148441323 105300.716098839 110 0.961961961961962 7569.43421594764 94578.6865955852 111 0.96986986986987 6860.02017082306 85022.7890437927 112 0.977777777777778 6222.0123604606 76498.2121575715 113 0.985685685685686 5647.73314625485 68886.6391430934 114 0.993593593593594 5130.38242081341 62084.1199103839 115 1.0015015015015 4663.93144594303 55999.2317036472 116 1.00940940940941 4243.03023288003 50551.4871947978 117 1.01731731731732 3862.92664943471 45669.9551608001 118 1.02522522522523 3519.39569366722 41292.0640019082 119 1.03313313313313 3208.67759124919 37362.5627059964 120 1.04104104104104 2927.42355951247 33832.6175497226 121 1.04894894894895 2672.64824015717 30659.0259552697 122 1.05685685685686 2441.6879387355 27803.5315795878 123 1.06476476476476 2232.16392576377 25232.2269748114 124 1.07267267267267 2041.95015452593 22915.0320853445 125 1.08058058058058 1869.14483675823 20825.2384905988 126 1.08848848848849 1712.04539150801 18939.1107058518 127 1.0963963963964 1569.12634629231 17235.5370536542 128 1.1043043043043 1439.01982472689 15695.7236453425 129 1.11221221221221 1320.49830231528 14302.9258924122 130 1.12012012012012 1212.45935315398 13042.2127226507 131 1.12802802802803 1113.9121458369 11900.2593244969 132 1.13593593593594 1023.96547761006 10865.1648007441 133 1.14384384384384 941.817162499803 9926.29159269546 134 1.15175175175175 866.744612284194 9074.12394946681 135 1.15965965965966 798.09646928386 8300.14307388335 136 1.16756756756757 735.285167430764 7596.71688444458 137 1.17547547547548 677.780313289961 6957.00259908126 138 1.18338338338338 625.102791965512 6374.86057678246 139 1.19129129129129 576.819514381415 5844.77805267461 140 1.1991991991992 532.538732518127 5361.80157508703 141 1.20710710710711 491.905857999777 4921.47710321602 142 1.21501501501502 454.599727134937 4519.79685435551 143 1.22292292292292 420.32926225969 4153.15210299118 144 1.23083083083083 388.830485140886 3818.29123267374 145 1.23873873873874 359.863843378424 3512.28242748415 146 1.24664664664665 333.211815291552 3232.48046478641 147 1.25455455455455 308.676762766838 2976.49713630324 148 1.26246246246246 286.079005054968 2742.17488161343 149 1.27037037037037 265.255089590749 2527.56326804694 150 1.27827827827828 246.056238628881 2330.89799458925 151 1.28618618618619 228.346952883025 2150.58213561174 152 1.29409409409409 212.003755467768 1985.16937372485 153 1.302002002002 196.914061306931 1833.34900041372 154 1.30990990990991 182.975158817944 1693.9324888888 155 1.31781781781782 170.093292137078 1565.8414662248 156 1.32572572572573 158.182833437402 1448.09693176517 157 1.33363363363363 147.165536030755 1339.80958628249 158 1.34154154154154 136.969859954323 1240.17115180505 159 1.34944944944945 127.530362637222 1148.44657560853 160 1.35735735735736 118.787148036332 1063.96702385468 161 1.36526526526527 110.68536833536 986.123580934458 162 1.37317317317317 103.174772927258 914.361579912855 163 1.38108108108108 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7.96836836836837 -7.62253147954692e-05 -5.73411347026625e-05 997 7.97627627627628 -7.57734346892697e-05 -5.69450146559816e-05 998 7.98418418418418 -7.53246747049088e-05 -5.6552015721669e-05 999 7.99209209209209 -7.48790102702176e-05 -5.61621103017e-05 1000 8 0 0 # Pair potential lj/cut for atom types 1 2: i,r,energy,force lj_1_2 N 1000 R 0.1 8 1 0.1 33000199125074.6 3.96002396394391e+15 2 0.107907907907908 13239673651761.1 1.47233035342588e+15 3 0.115815815815816 5666332957471.81 587104601104606 4 0.123723723723724 2564960792802.56 248776309903356 5 0.131631631631632 1219532340370.16 111176844260240 6 0.13953953953954 605548646170.794 52075452676943.1 7 0.147447447447447 312513884255.521 25433924742836.2 8 0.155355355355355 166955841405.639 12896051009042.3 9 0.163263263263263 92014149334.6934 6763126829346.58 10 0.171171171171171 52161338747.51 3656785980687.06 11 0.179079079079079 30337364443.3151 2032892866121.1 12 0.186986986986987 18062560936.7533 1159176347029.3 13 0.194894894894895 10987785872.7493 676536737051.972 14 0.202802802802803 6817546205.4036 403400014282.015 15 0.210710710710711 4308002125.10375 245341606458.662 16 0.218618618618619 2768657123.7126 151972182590.116 17 0.226526526526527 1807530955.96889 95752240686.4238 18 0.234434434434434 1197449578.26305 61294052211.0745 19 0.242342342342342 804195980.447359 39821294546.5183 20 0.25025025025025 547039411.857287 26231746032.1872 21 0.258158158158158 376601332.914023 17505700051.448 22 0.266066066066066 262202815.58015 11825834330.6129 23 0.273973973973974 184500892.238103 8081158128.25423 24 0.281881881881882 131130296.593812 5582399585.943 25 0.28978978978979 94082892.8664471 3895949387.6465 26 0.297697697697698 68108346.8776969 2745436301.0092 27 0.305605605605606 49724275.6096518 1952515786.17614 28 0.313513513513514 36595445.2425385 1400745369.50336 29 0.321421421421421 27139515.763348 1013250577.11451 30 0.329329329329329 20273669.7704197 738742100.545791 31 0.337237237237237 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7.50970970970971 -6.40442043271396e-06 -5.11609231519302e-06 939 7.51761761761762 -6.36411149736855e-06 -5.07854930975834e-06 940 7.52552552552553 -6.32409820328184e-06 -5.04132077694649e-06 941 7.53343343343343 -6.28437807535579e-06 -5.00440375718773e-06 942 7.54134134134134 -6.24494866177389e-06 -4.96779532181734e-06 943 7.54924924924925 -6.20580753375827e-06 -4.9314925727213e-06 944 7.55715715715716 -6.16695228532939e-06 -4.89549264198611e-06 945 7.56506506506507 -6.12838053306866e-06 -4.8597926915532e-06 946 7.57297297297297 -6.09008991588367e-06 -4.82438991287759e-06 947 7.58088088088088 -6.05207809477614e-06 -4.78928152659071e-06 948 7.58878878878879 -6.01434275261253e-06 -4.75446478216756e-06 949 7.5966966966967 -5.97688159389721e-06 -4.71993695759789e-06 950 7.6046046046046 -5.93969234454831e-06 -4.68569535906154e-06 951 7.61251251251251 -5.90277275167602e-06 -4.65173732060775e-06 952 7.62042042042042 -5.86612058336348e-06 -4.61806020383845e-06 953 7.62832832832833 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7.87347347347347 -4.82211659028538e-06 -3.6742628112871e-06 985 7.88138138138138 -4.79316270425144e-06 -3.64853924033988e-06 986 7.88928928928929 -4.76441142374542e-06 -3.62302125585337e-06 987 7.8971971971972 -4.73586113032082e-06 -3.59770701155128e-06 988 7.9051051051051 -4.70751022005842e-06 -3.5725946795571e-06 989 7.91301301301301 -4.67935710342157e-06 -3.5476824501926e-06 990 7.92092092092092 -4.65140020511315e-06 -3.52296853177884e-06 991 7.92882882882883 -4.6236379639339e-06 -3.49845115043948e-06 992 7.93673673673674 -4.59606883264247e-06 -3.47412854990645e-06 993 7.94464464464464 -4.56869127781696e-06 -3.44999899132801e-06 994 7.95255255255255 -4.54150377971786e-06 -3.42606075307892e-06 995 7.96046046046046 -4.51450483215267e-06 -3.40231213057305e-06 996 7.96836836836837 -4.4876929423418e-06 -3.37875143607805e-06 997 7.97627627627628 -4.46106663078608e-06 -3.35537699853234e-06 998 7.98418418418418 -4.43462443113562e-06 -3.33218716336422e-06 999 7.99209209209209 -4.40836489006011e-06 -3.30918029231307e-06 1000 8 0 0 # Pair potential lj/cut for atom types 1 3: i,r,energy,force lj_1_3 N 1000 R 0.1 8 1 0.1 2.2973560384931e+16 2.75682724876395e+18 2 0.107907907907908 9.21698826007495e+15 1.02498381655419e+18 3 0.115815815815816 3.94469887675717e+15 4.08721263967546e+17 4 0.123723723723724 1.78563427625847e+15 1.73189189121577e+17 5 0.131631631631632 848994990473474 7.7397353575624e+16 6 0.13953953953954 421561435479165 3.62530740554755e+16 7 0.147447447447447 217561074653096 1.77061927219808e+16 8 0.155355355355355 116228745772566 8.97777205282919e+15 9 0.163263263263263 64057003334856.8 4.70824874032604e+15 10 0.171171171171171 36312890555078.2 2.54572480813183e+15 11 0.179079079079079 21119812209237.3 1.41522815290989e+15 12 0.186986986986987 12574527309947.2 806977726999406 13 0.194894894894895 7649317774885.32 470981130838460 14 0.202802802802803 4746142976799.5 280832999503069 15 0.210710710710711 2999085815670.14 170798307336127 16 0.218618618618619 1927447106808.08 105797794277132 17 0.226526526526527 1258344075851.03 66659437397646.6 18 0.234434434434434 833626174740.65 42670845989356.1 19 0.242342342342342 559856246755.678 27722255079038.1 20 0.25025025025025 380832376345.198 18261678295440.3 21 0.258158158158158 262178950256.213 12186902379812 22 0.266066066066066 182538366172.288 8232771474821.38 23 0.273973973973974 128444719346.595 5625852769931.11 24 0.281881881881882 91289736517.8745 3886299267100.85 25 0.28978978978979 65498426835.0243 2712247235875.78 26 0.297697697697698 47415685261.7819 1911296584012.7 27 0.305605605605606 34617193368.6746 1359289975556.17 28 0.313513513513514 25477238672.3399 975164137326.164 29 0.321421421421421 18894247734.2911 705401665763.966 30 0.329329329329329 14114397898.7666 514296666948.825 31 0.337237237237237 10616976153.1736 377787132122.633 32 0.345145145145145 8039068142.79271 279502612828.853 33 0.353053053053053 6125578084.55822 208204033929.773 34 0.360960960960961 4695736348.51245 156108162843.729 35 0.368868868868869 3620447198.21886 117780252435.575 36 0.376776776776777 2806832329.60674 89395312930.2009 37 0.384684684684685 2187595019.39698 68240875325.6823 38 0.392592592592593 1713642113.01401 52379428435.5284 39 0.4005005005005 1348926245.7704 40417370910.3553 40 0.408408408408408 1066813365.0186 31345622534.5352 41 0.416316316316316 847506235.036548 24428838906.1992 42 0.424224224224224 676204432.95949 19127849996.608 43 0.432132132132132 541781666.289127 15044980489.3227 44 0.44004004004004 435828951.872812 11885243103.9267 45 0.447947947947948 351958244.096729 9428619522.55437 46 0.455855855855856 285292646.641493 7510138084.81855 47 0.463763763763764 232091107.174491 6005469503.6903 48 0.471671671671672 189470613.120384 4820452136.38063 49 0.47957957957958 155199477.689266 3883432392.83711 50 0.487487487487487 127542743.44356 3139633583.47136 51 0.495395395395395 105145996.361856 2546994522.04788 52 0.503303303303303 86947633.1168167 2073078827.64988 53 0.511211211211211 72112309.7735738 1692768291.79702 54 0.519119119119119 59980234.009304 1386533311.94768 55 0.527027027027027 50028363.0366128 1139130119.13078 56 0.534934934934935 41840588.2666435 938615154.739754 57 0.542842842842843 35084732.8859543 775596201.531456 58 0.550750750750751 29494736.1190011 642661039.931475 59 0.558658658658659 24856802.2652494 533939792.653004 60 0.566566566566567 20998592.4866118 444768367.174649 61 0.574474474474475 17780760.7337007 371428661.399479 62 0.582382382382382 15090302.3542215 310947285.48471 63 0.59029029029029 12835309.5114287 260939061.428787 64 0.598198198198198 10940822.2752647 219484915.329175 65 0.606106106106106 9345535.99321481 185036281.61707 66 0.614014014014014 7999180.08930175 156340016.473071 67 0.621921921921922 6860425.05739155 132379231.261359 68 0.62982982982983 5895206.28641324 112326525.017884 69 0.637737737737738 5075377.84877579 95506905.1918637 70 0.645645645645646 4377628.27168505 81368302.5177457 71 0.653553553553553 3782604.92571024 69458056.9455954 72 0.661461461461461 3274205.00969844 59404112.6038262 73 0.669369369369369 2838999.94559703 50899937.4228343 74 0.677277277277277 2465766.89770315 43692397.2678487 75 0.685185185185185 2145106.53778381 37571980.2318907 76 0.693093093093093 1869130.42635332 32364895.4660038 77 0.701001001001001 1631204.72881576 27926671.1670814 78 0.708908908908909 1425739.6314201 24136954.6367086 79 0.716816816816817 1248015.91902607 20895278.650169 80 0.724724724724725 1094041.84297687 18117606.5456182 81 0.732632632632633 960434.734870367 15733506.3854107 82 0.740540540540541 844322.882311038 13683834.5071524 83 0.748448448448448 743264.031716541 11918832.5103709 84 0.756356356356356 655177.564719103 10396560.5623556 85 0.764264264264264 578287.943010297 9081604.89938058 86 0.772172172172172 511077.458681353 7944009.36137474 87 0.78008008008008 452246.684560871 6958390.36483795 88 0.787987987987988 400681.308640788 6103202.38803099 89 0.795895895895896 355424.27180857 5360127.20475602 90 0.803803803803804 315652.319422483 4713565.06568734 91 0.811711711711712 280656.233268061 4150210.03160849 92 0.81961961961962 249824.137899833 3658694.90271681 93 0.827527527527528 222627.379733805 3229293.81428239 94 0.835435435435435 198608.562870304 2853672.70207224 95 0.843343343343343 177371.395998264 2524679.57716478 96 0.851251251251251 158572.062684766 2236167.96576865 97 0.859159159159159 141911.875168627 1982848.02675398 98 0.867067067067067 127131.01129989 1760160.80696257 99 0.874974974974975 114003.166994868 1564171.87146793 100 0.882882882882883 102330.983725271 1391481.18458803 101 0.890790790790791 91942.1331198262 1239146.64324182 102 0.898698698698699 82685.9595353837 1104619.09789899 103 0.906606606606607 74430.5971115796 985687.054670721 104 0.914514514514514 67060.4908991211 880429.548634514 105 0.922422422422422 60474.2625896391 787175.924335925 106 0.93033033033033 54582.8705389991 704471.463570489 107 0.938238238238238 49308.0214655688 631047.970365879 108 0.946146146146146 44580.7976672786 565798.564561587 109 0.954054054054054 40340.4690404039 507756.053436265 110 0.961961961961962 36533.4637676234 456074.349492403 111 0.96986986986987 33112.4754129019 410012.48508562 112 0.977777777777778 30035.687432167 368920.843806573 113 0.985685685685686 27266.0988780449 332229.28663312 114 0.993593593593594 24770.937424412 299436.899723203 115 1.0015015015015 22521.1478291325 270103.131847961 116 1.00940940940941 20490.9456470067 243840.124139499 117 1.01731731731732 18657.4274463873 220306.064101739 118 1.02522522522523 17000.2300112803 199199.420580506 119 1.03313313313313 15501.2320588563 180253.937338301 120 1.04104104104104 14144.2928977309 163234.280636313 121 1.04894894894895 12915.0232183083 147932.251297142 122 1.05685685685686 11800.5838624425 134163.484528893 123 1.06476476476476 10789.5089821189 121764.571688578 124 1.07267267267267 9871.55047968992 110590.547446304 125 1.08058058058058 9037.54103716429 100512.69373019 126 1.08848848848849 8279.27339909604 91416.6185940527 127 1.0963963963964 7589.39388117212 83200.5739314161 128 1.1043043043043 6961.30834181619 75773.9809082089 129 1.11221221221221 6389.099083081 69056.1362274074 130 1.12012012012012 5867.45134496928 62975.0759772532 131 1.12802802802803 5391.58822850005 57466.5769395479 132 1.13593593593594 4957.21303108317 52473.2779213757 133 1.14384384384384 4560.45810627984 47943.9059862584 134 1.15175175175175 4197.83947155207 43832.594453494 135 1.15965965965966 3866.21648448226 40098.2812532878 136 1.16756756756757 3562.75599218001 36704.1777094487 137 1.17547547547548 3284.90043191052 33617.2991042421 138 1.18338338338338 3030.33942485166 30808.0494898966 139 1.19129129129129 2796.98446058531 28249.8541725072 140 1.1991991991992 2582.94631854466 25918.8341274079 141 1.20710710710711 2386.51491511062 23793.517328193 142 1.21501501501502 2206.14130218997 21854.5825996559 143 1.22292292292292 2040.42157561226 20084.6321509638 144 1.23083083083083 1888.08248015528 18467.9894205599 145 1.23873873873874 1747.96852297335 16990.5192781613 146 1.24664664664665 1619.03042910815 15639.467990032 147 1.25455455455455 1500.31479200062 14403.320668538 148 1.26246246246246 1390.95478883289 13271.6742019413 149 1.27037037037037 1290.16184540566 12235.1239007209 150 1.27827827827828 1197.2181483536 11285.1623069561 151 1.28618618618619 1111.46991404253 10414.0887973998 152 1.29409409409409 1032.32133366863 9614.92877218806 153 1.302002002002 959.229123061965 8881.36136261629 154 1.30990990990991 891.697613629049 8207.65471559818 155 1.31781781781782 829.274327880787 7588.60802151722 156 1.32572572572573 771.545989194553 7019.49954808829 157 1.33363363363363 718.13492094941 6496.04002723347 158 1.34154154154154 668.695795037426 6014.33081627939 159 1.34944944944945 622.912694065825 5570.82632025927 160 1.35735735735736 580.496455390273 5162.300219846 161 1.36526526526527 541.182268515609 4785.81510040033 162 1.37317317317317 504.727500417671 4438.69512262523 163 1.38108108108108 470.909726022348 4118.50141509511 164 1.38898898898899 439.524943464344 3823.00990411028 165 1.3968968968969 410.385955872816 3550.19132746743 166 1.4048048048048 383.320903323684 3298.19320631748 167 1.41271271271271 358.171930285628 3065.32357372883 168 1.42062062062062 334.793975391915 2850.03628025673 169 1.42852852852853 313.053671713573 2650.91771606413 170 1.43643643643644 292.828346909439 2466.67480623178 171 1.44434434434434 274.005113701001 2296.12415108578 172 1.45225225225225 256.480042079147 2138.18219688103 173 1.46016016016016 240.157405508107 1991.85633420061 174 1.46806806806807 224.9489941605 1856.23683213767 175 1.47597597597598 210.773488905882 1730.48952586523 176 1.48388388388388 197.555890392522 1613.8491837053 177 1.49179179179179 185.226998115857 1505.61348739656 178 1.4996996996997 173.722934864093 1405.13756603481 179 1.50760760760761 162.984712377757 1311.82903021092 180 1.51551551551552 152.957834461102 1225.14345828033 181 1.52342342342342 143.591934143901 1144.58029153478 182 1.53133133133133 134.840441816556 1069.67909937604 183 1.53923923923924 126.660281553505 1000.01617946674 184 1.54714714714715 119.011593102863 935.201461306339 185 1.55505505505506 111.857477257234 874.875684792338 186 1.56296296296296 105.163762534295 818.70782811937 187 1.57087087087087 98.8987912884548 766.392761873794 188 1.57877877877878 93.0332235489005 717.649108431585 189 1.58668668668669 87.5398570363548 672.217287788307 190 1.59459459459459 82.3934619528473 629.857732767107 191 1.6025025025025 77.57062926705 590.349258184616 192 1.61041041041041 73.049631333776 553.487570025356 193 1.61831831831832 68.8102937912086 519.08390199906 194 1.62622622622623 64.8338777744829 486.963768048126 195 1.63413413413413 61.1029715703217 456.965820447277 196 1.64204204204204 57.6013909154429 428.940804106849 197 1.64994994994995 54.3140872121765 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216 1.8002002002002 18.572948893773 128.004105102424 217 1.80810810810811 17.5894484417936 120.808507884368 218 1.81601601601602 16.6611290337864 114.04346388134 219 1.82392392392392 15.7846954620205 107.681581731945 220 1.83183183183183 14.9570617309202 101.697317831353 221 1.83973973973974 14.1753369729393 96.0668445731807 222 1.84764764764765 13.4368123666787 90.767928492597 223 1.85555555555556 12.7389489820865 85.7798175287757 224 1.86346346346346 12.0793664835024 81.0831366895315 225 1.87137137137137 11.455832626741 76.6597914600869 226 1.87927927927928 10.8662534913966 72.4928783519376 227 1.88718718718719 10.3086643941314 68.5666020371596 228 1.8950950950951 9.78122143291133 64.8661985586647 229 1.903003003003 9.28219361602013 61.3778641482237 230 1.91091091091091 8.80995553323093 58.088689221893 231 1.91881881881882 8.36298052977925 54.9865971570934 232 1.92672672672673 7.93983434678419 52.0602874873016 233 1.93463463463463 7.53916919452676 49.2991831793641 234 1.94254254254254 7.15971822753594 46.6933816850692 235 1.95045045045045 6.80029039277456 44.233609483028 236 1.95835835835836 6.45976562437206 41.9111798493061 237 1.96626626626627 6.13709036033725 39.7179536157926 238 1.97417417417417 5.83127335851506 37.6463026941577 239 1.98208208208208 5.5413817907375 35.6890761605527 240 1.98998998998999 5.26653759567629 33.8395687121247 241 1.9978978978979 5.0059140723394 32.0914913210191 242 2.00580580580581 4.75873269747849 30.4389439249797 243 2.01371371371371 4.52426015139726 28.876390006004 244 2.02162162162162 4.3018055377799 27.3986329198666 245 2.02952952952953 4.09071778420127 26.0007938497743 246 2.03743743743744 3.89038321094488 24.6782912670342 247 2.04534534534535 3.70022325664477 23.4268217904681 248 2.05325325325325 3.51969235009124 22.242342344461 249 2.06116116116116 3.34827591830185 21.1210535230433 250 2.06906906906907 3.18548852166349 20.0593840743275 251 2.07697697697698 3.03087210760374 19.0539764260034 252 2.08488488488489 2.88399437485242 18.1016731784744 253 2.09279279279279 2.74444724091424 17.199504497654 254 2.1007007007007 2.61184540588963 16.3446763444376 255 2.10860860860861 2.48582500626147 15.5345594824972 256 2.11651651651652 2.36604235270936 14.7666792103069 257 2.12442442442442 2.25217274642484 14.0387057672508 258 2.13233233233233 2.14390936878346 13.3484453673055 259 2.14024024024024 2.04096223958334 12.6938318171503 260 2.14814814814815 1.94305723938914 12.0729186786739 261 2.15605605605606 1.84993519182498 11.4838719387145 262 2.16396396396396 1.76135100194329 10.9249631515344 263 2.17187187187187 1.67707284705956 10.3945630219889 264 2.17977977977978 1.59688141668711 9.8911353996252 265 2.18768768768769 1.52056919843289 9.41323165605429 266 2.1955955955956 1.44793980692641 8.95948541989297 267 2.2035035035035 1.37880735304977 8.52860764537667 268 2.21141141141141 1.31299585091911 8.1193819924207 269 2.21931931931932 1.25033866023712 7.7306604974582 270 2.22722722722723 1.19067796179444 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0.115815815815816 2.76250163613069e+15 2.86230507319432e+17 4 0.123723723723724 1.2504928164605e+15 1.212856629411e+17 5 0.131631631631632 594557435727602 5.42019359541647e+16 6 0.13953953953954 295222573487866 2.53882943908236e+16 7 0.147447447447447 152359620461977 1.2399776982841e+16 8 0.155355355355355 81395845313364.9 6.28719979285218e+15 9 0.163263263263263 44859590411186.5 3.29722121653204e+15 10 0.171171171171171 25430184211317.5 1.78278980281522e+15 11 0.179079079079079 14790359729022.4 991094681381296 12 0.186986986986987 8806033884884.7 565132435191890 13 0.194894894894895 5356873438794.37 329831548206796 14 0.202802802802803 3323758787234.08 196669413710330 15 0.210710710710711 2100281817219.15 119611309792376 16 0.218618618618619 1349805354886.04 74090972652814.5 17 0.226526526526527 881227586822.082 46682093645064.1 18 0.234434434434434 583794521412.779 29882706781248.5 19 0.242342342342342 392071430863.899 19414098724035.7 20 0.25025025025025 266699700565.237 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-0.000135726364128613 -0.000102711386997633 990 7.92092092092092 -0.000134916955833073 -0.00010199813674661 991 7.92882882882883 -0.000134113165509537 -0.000101290529497157 992 7.93673673673674 -0.000133314948731781 -0.000100588515226625 993 7.94464464464464 -0.000132522261467214 -9.98920444024296e-05 994 7.95255255255255 -0.000131735060073023 -9.92010679768111e-05 995 7.96046046046046 -0.000130953301292361 -9.85155373816491e-05 996 7.96836836836837 -0.000130176942250572 -9.78354045233388e-05 997 7.97627627627628 -0.000129405940451462 -9.71606217777278e-05 998 7.98418418418418 -0.000128640253773604 -9.64911419851098e-05 999 7.99209209209209 -0.000127879840466686 -9.5826918445276e-05 1000 8 0 0 # Pair potential lj/cut for atom types 1 5: i,r,energy,force lj_1_5 N 1000 R 0.1 8 1 0.1 1.60885533098142e+16 1.93062639918088e+18 2 0.107907907907908 6.45472466938427e+15 7.17803705596789e+17 3 0.115815815815816 2.76250163613069e+15 2.86230507319432e+17 4 0.123723723723724 1.2504928164605e+15 1.212856629411e+17 5 0.131631631631632 594557435727602 5.42019359541647e+16 6 0.13953953953954 295222573487866 2.53882943908236e+16 7 0.147447447447447 152359620461977 1.2399776982841e+16 8 0.155355355355355 81395845313364.9 6.28719979285218e+15 9 0.163263263263263 44859590411186.5 3.29722121653204e+15 10 0.171171171171171 25430184211317.5 1.78278980281522e+15 11 0.179079079079079 14790359729022.4 991094681381296 12 0.186986986986987 8806033884884.7 565132435191890 13 0.194894894894895 5356873438794.37 329831548206796 14 0.202802802802803 3323758787234.08 196669413710330 15 0.210710710710711 2100281817219.15 119611309792376 16 0.218618618618619 1349805354886.04 74090972652814.5 17 0.226526526526527 881227586822.082 46682093645064.1 18 0.234434434434434 583794521412.779 29882706781248.5 19 0.242342342342342 392071430863.899 19414098724035.7 20 0.25025025025025 266699700565.237 12788787300609.7 21 0.258158158158158 183605835885.031 8534577109835.94 22 0.266066066066066 127832950958.68 5765470203848.49 23 0.273973973973974 89950773743.9737 3939825899986.72 24 0.281881881881882 63930867234.2604 2721603818612.71 25 0.28978978978979 45869024388.2289 1899406570864.29 26 0.297697697697698 33205548309.1436 1338494958394.75 27 0.305605605605606 24242671004.0553 951920686692.148 28 0.313513513513514 17841894090.6279 682914550124.273 29 0.321421421421421 13231777609.1431 493997917974.762 30 0.329329329329329 9884414026.42134 360165690594.054 31 0.337237237237237 7435144203.54997 264567066648.766 32 0.345145145145145 5629816559.68981 195737700976.316 33 0.353053053053053 4289785650.64838 145806786828.925 34 0.360960960960961 3288457182.26572 109323669370.699 35 0.368868868868869 2535424466.75334 82482355359.7077 36 0.376776776776777 1965644149.52698 62604176443.7112 37 0.384684684684685 1531987844.32875 47789570727.4106 38 0.392592592592593 1200075257.25953 36681684955.1499 39 0.4005005005005 944662156.468649 28304569916.0685 40 0.408408408408408 747096521.303213 21951559365.7595 41 0.416316316316316 593514203.912189 17107686254.1435 42 0.424224224224224 473550360.93095 13395365879.943 43 0.432132132132132 379413169.258498 10536103323.471 44 0.44004004004004 305213757.302946 8323316846.95483 45 0.447947947947948 246478530.719026 6602926024.42593 46 0.455855855855856 199792163.980205 5259400005.68344 47 0.463763763763764 162534771.335278 4205670090.77432 48 0.471671671671672 132687358.482911 3375794200.62953 49 0.47957957957958 108687059.273054 2719592809.18744 50 0.487487487487487 89318870.7012842 2198705406.35764 51 0.495395395395395 73634287.0543816 1783676241.27654 52 0.503303303303303 60889860.0491358 1451789883.95498 53 0.511211211211211 50500592.4741788 1185455873.48074 54 0.519119119119119 42004427.1649677 970997490.024077 55 0.527027027027027 35035073.6296673 797739413.886232 56 0.534934934934935 29301128.1540948 657317486.418571 57 0.542842842842843 24569965.039566 543154271.636113 58 0.550750750750751 20655260.114219 450058940.09518 59 0.558658658658659 17407290.80467 373920775.669039 60 0.566566566566567 14705367.0676807 311473481.888422 61 0.574474474474475 12451903.9391255 260113246.094756 62 0.582382382382382 10567763.5172962 217757782.891675 63 0.59029029029029 8988582.14538855 182736735.784034 64 0.598198198198198 7661864.90141482 153706164.252729 65 0.606106106106106 6544679.7469177 129581597.358219 66 0.614014014014014 5601821.88159606 109485450.071193 67 0.621921921921922 4804347.99615958 92705588.5066541 68 0.62982982982983 4128402.43552721 78662578.3045029 69 0.637737737737738 3554274.43758335 66883717.7633023 70 0.645645645645646 3065638.84040371 56982389.1978655 71 0.653553553553553 2648942.88560479 48641591.8716387 72 0.661461461461461 2292909.6902804 41600772.6979185 73 0.669369369369369 1988135.1468255 35645265.3475225 74 0.677277277277277 1726759.84273888 30597798.4201603 75 0.685185185185185 1502201.37900425 26311649.4495047 76 0.693093093093093 1308935.44114424 22665111.6598888 77 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7.93673673673674 -0.000133314948731781 -0.000100588515226625 993 7.94464464464464 -0.000132522261467214 -9.98920444024296e-05 994 7.95255255255255 -0.000131735060073023 -9.92010679768111e-05 995 7.96046046046046 -0.000130953301292361 -9.85155373816491e-05 996 7.96836836836837 -0.000130176942250572 -9.78354045233388e-05 997 7.97627627627628 -0.000129405940451462 -9.71606217777278e-05 998 7.98418418418418 -0.000128640253773604 -9.64911419851098e-05 999 7.99209209209209 -0.000127879840466686 -9.5826918445276e-05 1000 8 0 0 # Pair potential lj/cut for atom types 2 2: i,r,energy,force lj_2_2 N 1000 R 0.1 8 1 0.1 19999980000 2399998800000 2 0.107907907907908 8023983713.50827 892315331075.438 3 0.115815815815816 3434112346.03037 355818396537.588 4 0.123723723723724 1554506876.67745 150772345140.231 5 0.131631631631632 739102312.852213 67379327543.1169 6 0.13953953953954 366994337.316963 31560576433.9711 7 0.147447447447447 189399326.111321 15414329853.7341 8 0.155355355355355 101183371.307286 7815688028.97069 9 0.163263263263263 55764793.3566845 4098802409.18192 10 0.171171171171171 31611973.2578427 2216193576.10166 11 0.179079079079079 18385584.6066064 1232029195.30315 12 0.186986986986987 10946488.5734978 702512364.387272 13 0.194894894894895 6658871.51196021 410008932.535653 14 0.202802802802803 4131543.65183099 244475164.701541 15 0.210710710710711 2610673.97664585 148684699.938709 16 0.218618618618619 1677787.01661815 92098941.4360149 17 0.226526526526527 1095323.79331839 58027524.7740955 18 0.234434434434434 725606.330929305 37144708.9242319 19 0.242342342342342 487293.251603386 24131612.1219522 20 0.25025025025025 331458.430724036 15896047.0287379 21 0.258158158158158 228176.635231795 10607935.1738122 22 0.266066066066066 158855.419815935 7165901.76662562 23 0.273973973973974 111772.399869245 4896642.26906368 24 0.281881881881882 79433.9445090971 3382432.87280763 25 0.28978978978979 56986.9947065851 2360492.26298818 26 0.297697697697698 41249.8030732656 1663331.75293982 27 0.305605605605606 30112.0458610406 1182870.49484033 28 0.313513513513514 22158.5947405752 848542.392349847 29 0.321421421421421 16430.5853667583 613760.742664121 30 0.329329329329329 12271.8673581613 447444.104836056 31 0.337237237237237 9229.20737411032 328647.175705072 32 0.345145145145145 6986.73031822524 243120.179032804 33 0.353053053053053 5322.41174032331 181080.165183139 34 0.360960960960961 4078.92307399451 135752.435022769 35 0.368868868868869 3143.91336767651 102406.576235404 36 0.376776776776777 2436.55499142404 77713.4004624144 37 0.384684684684685 1898.28566413951 59312.1034470003 38 0.392592592592593 1486.38638445138 45516.4231048969 39 0.4005005005005 1169.4920192822 35113.5194645882 40 0.408408408408408 924.429610329183 27225.2338164425 41 0.416316316316316 733.975860113991 21211.6565419477 42 0.424224224224224 585.255685262213 16603.6156136338 43 0.432132132132132 468.591055823025 13055.0829399953 44 0.44004004004004 376.668280377634 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-8.33947981494393e-08 948 7.58878878878879 -1.04711149596327e-07 -8.27883903086385e-08 949 7.5966966966967 -1.04058847735627e-07 -8.21870166513699e-08 950 7.6046046046046 -1.03411281732411e-07 -8.15906302107592e-08 951 7.61251251251251 -1.0276841233233e-07 -8.09991845062909e-08 952 7.62042042042042 -1.02130200646695e-07 -8.04126335382736e-08 953 7.62832832832833 -1.01496608148691e-07 -7.98309317823755e-08 954 7.63623623623624 -1.00867596669648e-07 -7.92540341842249e-08 955 7.64414414414414 -1.00243128395338e-07 -7.86818961540807e-08 956 7.65205205205205 -9.96231658623272e-08 -7.81144735615661e-08 957 7.65995995995996 -9.90076719543591e-08 -7.75517227304686e-08 958 7.66786786786787 -9.83966098987877e-08 -7.69936004336046e-08 959 7.67577577577578 -9.77899432630444e-08 -7.64400638877456e-08 960 7.68368368368368 -9.71876359511474e-08 -7.58910707486089e-08 961 7.69159159159159 -9.65896522002506e-08 -7.53465791059084e-08 962 7.6994994994995 -9.59959565772305e-08 -7.48065474784667e-08 963 7.70740740740741 -9.54065139753123e-08 -7.42709348093878e-08 964 7.71531531531532 -9.48212896107335e-08 -7.37397004612875e-08 965 7.72322322322322 -9.42402490194451e-08 -7.3212804211584e-08 966 7.73113113113113 -9.36633580538495e-08 -7.26902062478446e-08 967 7.73903903903904 -9.30905828795762e-08 -7.21718671631903e-08 968 7.74694694694695 -9.25218899722916e-08 -7.16577479517562e-08 969 7.75485485485486 -9.19572461145462e-08 -7.11478100042069e-08 970 7.76276276276276 -9.13966183926567e-08 -7.06420151033074e-08 971 7.77067067067067 -9.08399741936216e-08 -7.01403254195467e-08 972 7.77857857857858 -9.02872812020734e-08 -6.96427035068157e-08 973 7.78648648648649 -8.97385073972631e-08 -6.91491122981376e-08 974 7.79439439439439 -8.91936210500785e-08 -6.86595151014491e-08 975 7.8023023023023 -8.86525907200965e-08 -6.81738755954338e-08 976 7.81021021021021 -8.8115385252667e-08 -6.76921578254053e-08 977 7.81811811811812 -8.75819737760303e-08 -6.72143261992411e-08 978 7.82602602602603 -8.70523256984655e-08 -6.67403454833645e-08 979 7.83393393393393 -8.65264107054709e-08 -6.62701807987757e-08 980 7.84184184184184 -8.6004198756976e-08 -6.58037976171309e-08 981 7.84974974974975 -8.54856600845832e-08 -6.53411617568681e-08 982 7.85765765765766 -8.49707651888411e-08 -6.48822393793798e-08 983 7.86556556556557 -8.44594848365476e-08 -6.4426996985232e-08 984 7.87347347347347 -8.39517900580819e-08 -6.39754014104283e-08 985 7.88138138138138 -8.34476521447672e-08 -6.35274198227189e-08 986 7.88928928928929 -8.29470426462612e-08 -6.30830197179542e-08 987 7.8971971971972 -8.24499333679761e-08 -6.26421689164811e-08 988 7.9051051051051 -8.19562963685269e-08 -6.22048355595841e-08 989 7.91301301301301 -8.14661039572062e-08 -6.1770988105967e-08 990 7.92092092092092 -8.09793286914895e-08 -6.13405953282783e-08 991 7.92882882882883 -8.04959433745649e-08 -6.09136263096768e-08 992 7.93673673673674 -8.00159210528914e-08 -6.04900504404392e-08 993 7.94464464464464 -7.95392350137839e-08 -6.00698374146074e-08 994 7.95255255255255 -7.90658587830236e-08 -5.96529572266754e-08 995 7.96046046046046 -7.85957661224957e-08 -5.9239380168317e-08 996 7.96836836836837 -7.81289310278513e-08 -5.88290768251504e-08 997 7.97627627627628 -7.76653277261961e-08 -5.84220180735428e-08 998 7.98418418418418 -7.7204930673804e-08 -5.80181750774521e-08 999 7.99209209209209 -7.67477145538544e-08 -5.7617519285306e-08 1000 8 0 0 # Pair potential lj/cut for atom types 2 3: i,r,energy,force lj_2_3 N 1000 R 0.1 8 1 0.1 294233097024821 3.53079718488172e+16 2 0.107907907907908 118046264496738 1.31274455641164e+16 3 0.115815815815816 50521596645299.3 5.23468374334265e+15 4 0.123723723723724 22869449973941.1 2.21811466036011e+15 5 0.131631631631632 10873474156391.6 991263970645322 6 0.13953953953954 5399133478492.17 464310006640604 7 0.147447447447447 2786405846518.9 226771454780511 8 0.155355355355355 1488595537007.74 114982504898718 9 0.163263263263263 820407757895.411 60300731376332 10 0.171171171171171 465076006662.589 32604280616436.6 11 0.179079079079079 270491195289.15 18125483916196.5 12 0.186986986986987 161047767062.96 10335337862089.9 13 0.194894894894895 97968326867.5717 6032073331852.49 14 0.202802802802803 60786024706.2088 3596757945410.45 15 0.210710710710711 38410657523.9244 2187492623968.59 16 0.218618618618619 24685687428.1292 1355000958059.28 17 0.226526526526527 16116177990.7295 853737931683.859 18 0.234434434434434 10676621763.0024 546504976790.294 19 0.242342342342342 7170325775.53382 355051494873.76 20 0.25025025025025 4877486085.14196 233885547647.185 21 0.258158158158158 3357838329.55474 156083115011.692 22 0.266066066066066 2337845846.5398 105440759864.365 23 0.273973973973974 1645044597.99184 72052770417.0783 24 0.281881881881882 1169184477.76484 49773524540.2714 25 0.28978978978979 838864027.369759 34736914270.301 26 0.297697697697698 607270650.23188 24478783110.1637 27 0.305605605605606 443354999.466675 17408991076.4995 28 0.313513513513514 326295840.599102 12489323729.05 29 0.321421421421421 241984827.441173 9034359264.56381 30 0.329329329329329 180767416.46954 6586796068.67964 31 0.337237237237237 135974605.126954 4838461102.30559 32 0.345145145145145 102958389.550681 3579690655.70436 33 0.353053053053053 78451646.7893401 2666540856.12091 34 0.360960960960961 60139182.1567675 1999328376.16213 35 0.368868868868869 46367611.4724697 1508448004.15922 36 0.376776776776777 35947403.1840881 1144911416.13811 37 0.384684684684685 28016660.2356906 873978840.399705 38 0.392592592592593 21946626.5678079 670835735.492881 39 0.4005005005005 17275629.1511024 517633654.26401 40 0.408408408408408 13662555.2380438 401448880.944285 41 0.416316316316316 10853854.0600727 312863553.885931 42 0.424224224224224 8659971.09502894 244972301.593225 43 0.432132132132132 6938407.90218905 192681936.05133 44 0.44004004004004 5581467.70697383 152214438.516099 45 0.447947947947948 4507336.67318693 120751949.20465 46 0.455855855855856 3653554.83233625 96181613.6783861 47 0.463763763763764 2972209.39412898 76911100.9702398 48 0.471671671671672 2426376.79510217 61734449.2574886 49 0.47957957957958 1987475.23038526 49733966.2369616 50 0.487487487487487 1633284.67668737 40208108.6051956 51 0.495395395395395 1346458.85447428 32618185.3284358 52 0.503303303303303 1113401.60212441 26548773.8148411 53 0.511211211211211 923414.529098743 21678177.9422586 54 0.519119119119119 768047.583390304 17756276.8179675 55 0.527027027027027 640602.099977878 14587839.6684514 56 0.534934934934935 535748.945902989 12019902.5889087 57 0.542842842842843 449233.920892624 9932177.49996089 58 0.550750750750751 377649.585767948 8229734.74199216 59 0.558658658658659 318257.869139781 6837397.86838461 60 0.566566566566567 268851.643665297 5695433.23818087 61 0.574474474474475 227646.324480126 4756222.74398274 62 0.582382382382382 193194.683240246 3981685.97823383 63 0.59029029029029 164319.679620373 3341275.8845412 64 0.598198198198198 140061.325420527 2810414.88814453 65 0.606106106106106 119634.515291074 2369270.57443607 66 0.614014014014014 102395.456619147 2001794.0354396 67 0.621921921921922 87814.8641334634 1694962.10913216 68 0.62982982982983 75456.4929738455 1438178.41732901 69 0.637737737737738 64959.8976710907 1222798.48393888 70 0.645645645645646 56026.5463935528 1041752.11342808 71 0.653553553553553 48408.6069915814 889242.242259792 72 0.661461461461461 41899.8666669664 760504.100124778 73 0.669369369369369 36328.3602403428 651612.073805045 74 0.677277277277277 31550.3703722615 559324.410101153 75 0.685185185185185 27445.5323417388 480958.017745753 76 0.693093093093093 23912.8304022619 414287.276867269 77 0.701001001001001 20867.3156193822 357462.048415353 78 0.708908908908909 18237.4089851107 308941.078684567 79 0.716816816816817 15962.6804617794 267437.779490687 80 0.724724724724725 13992.0159486942 231875.981492662 81 0.732632632632633 12282.1011664261 201353.744087234 82 0.740540540540541 10796.1650329398 175113.689080889 83 0.748448448448448 9502.93597894589 152518.629238643 84 0.756356356356356 8375.77337750984 133031.504067847 85 0.764264264264264 7391.9432852142 116198.827209729 86 0.772172172172172 6532.01335552113 101637.003009515 87 0.78008008008008 5779.34636287624 89020.9923590659 88 0.787987987987988 5119.67548487999 78074.9061272539 89 0.795895895895896 4540.74750113636 68564.1834147739 90 0.803803803803804 4032.02251761323 60289.0754274259 91 0.811711711711712 3584.42082325428 53079.2070595234 92 0.81961961961962 3190.10911803441 46789.0297716372 93 0.827527527527528 2842.31968819886 41294.0129799104 94 0.835435435435435 2535.19720087814 36487.4484932358 95 0.843343343343343 2263.66869150758 32277.7647703565 96 0.851251251251251 2023.33305967099 28586.2659035443 97 0.859159159159159 1810.36700134447 25345.2250544015 98 0.867067067067067 1621.44481167741 22496.2742001127 99 0.874974974974975 1453.6699115836 19989.0420008003 100 0.882882882882883 1304.51629910127 17779.9997775282 101 0.890790790790791 1171.77841539686 15831.4823242042 102 0.898698698698699 1053.52815577619 14110.8558304186 103 0.906606606606607 948.077956579516 12589.8097809134 104 0.914514514514514 853.949056293935 11243.7534951622 105 0.922422422422422 769.844169291717 10051.3011190683 106 0.93033033033033 694.623927959647 8993.83149540935 107 0.938238238238238 627.286547459923 8055.11151443845 108 0.946146146146146 566.950250121174 7220.97335789171 109 0.954054054054054 512.838056112129 6479.03756150518 110 0.961961961961962 464.264605761526 5818.475084625 111 0.96986986986987 420.624728447115 5229.80263302207 112 0.977777777777778 381.383514870157 4704.70636749042 113 0.985685685685686 346.067684995139 4235.88987498033 114 0.993593593593594 314.258073995811 3816.94290464088 115 1.0015015015015 285.583084065496 3442.2278978542 116 1.00940940940941 259.712971637882 3106.78178539686 117 1.01731731731732 236.354858022817 2806.23089974921 118 1.02522522522523 215.24836719125 2536.71716749402 119 1.03313313313313 196.161807864866 2294.83401502157 120 1.04104104104104 178.888828532164 2077.57064815411 121 1.04894894894895 163.245483820597 1882.26355929767 122 1.05685685685686 149.06765905401 1706.55427973495 123 1.06476476476476 136.208807026628 1548.35253421979 124 1.07267267267267 124.537957207436 1405.8040739147 125 1.08058058058058 113.937962902252 1277.26256511262 126 1.08848848848849 104.303956472603 1161.26499777556 127 1.0963963963964 95.54198664853 1056.51015195668 128 1.1043043043043 87.5678153683706 961.839723542848 129 1.11221221221221 80.3058545101209 876.221765059776 130 1.12012012012012 73.6882254124632 798.736143871142 131 1.12802802802803 67.6539262752525 728.561760116756 132 1.13593593593594 62.1480944273403 664.965301139232 133 1.14384384384384 57.1213520950442 607.291338761407 134 1.15175175175175 52.5292257324617 554.953601292859 135 1.15965965965966 48.331630215164 507.427274152874 136 1.16756756756757 44.4924102772684 464.242202000782 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1.31781781781782 10.0707307521411 94.6859173727972 156 1.32572572572573 9.35077624218307 87.4998191069601 157 1.33363363363363 8.68532167445016 80.8935805704377 158 1.34154154154154 8.06998113502215 74.8175195676579 159 1.34944944944945 7.50074347081757 69.2264611817497 160 1.35735735735736 6.97393838338987 64.0793061447091 161 1.36526526526527 6.48620576081111 59.338642705432 162 1.37317317317317 6.03446792221058 54.9703973957614 163 1.38108108108108 5.61590448385671 50.9435206037924 164 1.38898898898899 5.22792958620202 47.2297033139334 165 1.3968968968969 4.86817124849359 43.8031217717535 166 1.4048048048048 4.53445264176382 40.6402071846097 167 1.41271271271271 4.2247750926008 37.7194378818887 168 1.42062062062062 3.93730264935098 35.0211516361722 169 1.42852852852853 3.67034805959119 32.5273760928919 170 1.43643643643644 3.42236002305613 30.2216754747576 171 1.44434434434434 3.19191159792427 28.0890119216117 172 1.45225225225225 2.97768965063259 26.1156199992285 173 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7.79439439439439 -1.52937980404116e-05 -1.17684160830784e-05 975 7.8023023023023 -1.5201063848525e-05 -1.16852298639829e-05 976 7.81021021021021 -1.51089848282262e-05 -1.16027147060398e-05 977 7.81811811811812 -1.50175556969074e-05 -1.15208645288302e-05 978 7.82602602602603 -1.49267712198025e-05 -1.14396733130387e-05 979 7.83393393393393 -1.48366262095059e-05 -1.13591350997805e-05 980 7.84184184184184 -1.47471155254978e-05 -1.12792439899345e-05 981 7.84974974974975 -1.4658234073674e-05 -1.11999941434857e-05 982 7.85765765765766 -1.45699768058807e-05 -1.11213797788753e-05 983 7.86556556556557 -1.44823387194555e-05 -1.10433951723582e-05 984 7.87347347347347 -1.43953148567723e-05 -1.09660346573686e-05 985 7.88138138138138 -1.43089003047914e-05 -1.08892926238925e-05 986 7.88928928928929 -1.42230901946152e-05 -1.08131635178488e-05 987 7.8971971971972 -1.41378797010483e-05 -1.07376418404767e-05 988 7.9051051051051 -1.40532640421618e-05 -1.06627221477309e-05 989 7.91301301301301 -1.39692384788639e-05 -1.05883990496841e-05 990 7.92092092092092 -1.38857983144736e-05 -1.05146672099363e-05 991 7.92882882882883 -1.38029388942999e-05 -1.04415213450311e-05 992 7.93673673673674 -1.37206556052255e-05 -1.03689562238796e-05 993 7.94464464464464 -1.3638943875295e-05 -1.029696666719e-05 994 7.95255255255255 -1.35577991733072e-05 -1.02255475469048e-05 995 7.96046046046046 -1.34772170084126e-05 -1.01546937856446e-05 996 7.96836836836837 -1.33971929297145e-05 -1.00844003561579e-05 997 7.97627627627628 -1.33177225258746e-05 -1.00146622807781e-05 998 7.98418418418418 -1.32388014247237e-05 -9.94547463088666e-06 999 7.99209209209209 -1.3160425292875e-05 -9.87683252638211e-06 1000 8 0 0 # Pair potential lj/cut for atom types 2 4: i,r,energy,force lj_2_4 N 1000 R 0.1 8 1 0.1 4882500 585918749.999999 2 0.107907907907908 1958785.55304494 217839588.623147 3 0.115815815815816 838278.865834032 86863122.0260493 4 0.123723723723724 379432.518872952 36805495.5556248 5 0.131631631631632 180385.764998418 16447335.6343651 6 0.13953953953954 89556.5565593828 7703427.09177565 7 0.147447447447447 46210.1343149283 3762045.973696 8 0.155355355355355 24681.0912129522 1907281.9182913 9 0.163263263263263 13598.2079975802 1000087.22563202 10 0.171171171171171 7705.53689718834 540634.190704366 11 0.179079079079079 4479.34112744925 300475.879299794 12 0.186986986986987 2665.28571447224 171280.876751261 13 0.194894894894895 1620.08788761075 99927.03112962 14 0.202802802802803 1004.25617735986 59555.5085336408 15 0.210710710710711 633.856854769309 36199.8936658332 16 0.218618618618619 406.798316462139 22407.7624444252 17 0.226526526526527 265.136385828603 14106.5746277724 18 0.234434434434434 175.296954282174 9021.10694001013 19 0.242342342342342 117.449509095988 5853.90955867663 20 0.25025025025025 79.6700095636664 3850.8419026428 21 0.258158158158158 54.6679951041657 2565.67549117713 22 0.266066066066066 37.9159525325313 1729.93374418621 23 0.273973973973974 26.560814638394 1179.54000427366 24 0.281881881881882 18.7798451246837 812.736835397844 25 0.28978978978979 13.3934283380677 565.537802418402 26 0.297697697697698 9.62881837140884 397.179811424432 27 0.305605605605606 6.97396438012951 281.37308241344 28 0.313513513513514 5.08586688233432 200.964008312561 29 0.321421421421421 3.73240068865389 144.636325225219 30 0.329329329329329 2.75494419610916 104.846407052369 31 0.337237237237237 2.04410354631738 76.5155251118911 32 0.345145145145145 1.52377462761293 56.1921462949224 33 0.353053053053053 1.14057294576301 41.5095326862918 34 0.360960960960961 0.856755789039417 30.8309378336784 35 0.368868868868869 0.645439286548528 23.0152461727255 36 0.376776776776777 0.487337953038021 17.2607253439929 37 0.384684684684685 0.368523514287872 12.9999286808768 38 0.392592592592593 0.278872076721141 9.82840172840624 39 0.4005005005005 0.21098002682425 7.45592658738254 40 0.408408408408408 0.159401657921317 5.67291977989323 41 0.416316316316316 0.120109309598616 4.32710126275453 42 0.424224224224224 0.0901085258020611 3.30717933734869 43 0.432132132132132 0.0671619668684676 2.53136358270992 44 0.44004004004004 0.0495901308522937 1.93922396198904 45 0.447947947947948 0.036126672405879 1.48588499071765 46 0.455855855855856 0.0258127708419232 1.13786013079633 47 0.463763763763764 0.0179195928937869 0.870045641359886 48 0.471671671671672 0.0118910841866426 0.663539037182482 49 0.47957957957958 0.00730155085371985 0.504047453077559 50 0.487487487487487 0.00382405849377202 0.380720400056651 51 0.495395395395395 0.0012067829469516 0.285289501351004 52 0.503303303303303 -0.0007447650344164 0.211431444721559 53 0.511211211211211 -0.00218115579281589 0.154294064419184 54 0.519119119119119 -0.00321920689347137 0.110142221925784 55 0.527027027027027 -0.00394971595057814 0.0760920778910721 56 0.534934934934935 -0.00444336395149246 0.0499108774998807 57 0.542842842842843 -0.00475523753559017 0.0298655051633407 58 0.550750750750751 -0.00492830473985673 0.0146074970593696 59 0.558658658658659 -0.00499609476475209 0.00308541886174946 60 0.566566566566567 -0.00498477017859437 -0.00552213569653737 61 0.574474474474475 -0.00491473379896503 -0.0118579488085994 62 0.582382382382382 -0.00480187802742837 -0.0164257417617888 63 0.59029029029029 -0.00465855859396784 -0.019620717557687 64 0.598198198198198 -0.00449435524847147 -0.0217532082595863 65 0.606106106106106 -0.00431666727740201 -0.0230670344491233 66 0.614014014014014 -0.00413118061808116 -0.0237537967622551 67 0.621921921921922 -0.00394223490025373 -0.0239640285882687 68 0.62982982982983 -0.00375311230475765 -0.0238159198137824 69 0.637737737737738 -0.00356626520115377 -0.0234021557316297 70 0.645645645645646 -0.00338349574334439 -0.0227952894579106 71 0.653553553553553 -0.00320609768966918 -0.0220519704497111 72 0.661461461461461 -0.00303496846496733 -0.0212162785906513 73 0.669369369369369 -0.00287069774059584 -0.0203223572927119 74 0.677277277277277 -0.00271363745623201 -0.0193964960204841 75 0.685185185185185 -0.00256395715469083 -0.0184587794764229 76 0.693093093093093 -0.00242168767954221 -0.0175243950557999 77 0.701001001001001 -0.00228675564271747 -0.016604670321166 78 0.708908908908909 -0.0021590105654552 -0.0157078968185202 79 0.716816816816817 -0.0020382462000214 -0.0148399845419319 80 0.724724724724725 -0.00192421722787744 -0.0140049819725631 81 0.732632632632633 -0.00181665228398407 -0.0132054892769356 82 0.740540540540541 -0.00171526406247394 -0.012442986491372 83 0.748448448448448 -0.00161975710493011 -0.0117180939935174 84 0.756356356356356 -0.00152983375034738 -0.0110307789967177 85 0.764264264264264 -0.00144519862879531 -0.0103805189891451 86 0.772172172172172 -0.00136556200357265 -0.00976643081435067 87 0.78008008008008 -0.00129064220511057 -0.00918737232700891 88 0.787987987987988 -0.00122016735079449 -0.0086420221585173 89 0.795895895895896 -0.00115387650567158 -0.00812894201490466 90 0.803803803803804 -0.00109152040767274 -0.00764662504397521 91 0.811711711711712 -0.00103286185590469 -0.00719353310253242 92 0.81961961961962 -0.000977675840494358 -0.0067681251907507 93 0.827527527527528 -0.000925749476388197 -0.00636887887004025 94 0.835435435435435 -0.00087688179062495 -0.0059943061199882 95 0.843343343343343 -0.000830883402274614 -0.00564296480089523 96 0.851251251251251 -0.000787576125962009 -0.00531346665659307 97 0.859159159159159 -0.000746792523264588 -0.00500448260613878 98 0.867067067067067 -0.000708375420966837 -0.00471474592350805 99 0.874974974974975 -0.000672177410908097 -0.0044430537842776 100 0.882882882882883 -0.000638060342768568 -0.00418826756169843 101 0.890790790790791 -0.00060589481843258 -0.00394931217688222 102 0.898698698698699 -0.000575559694414452 -0.00372517474534668 103 0.906606606606607 -0.000546941597122499 -0.00351490271192216 104 0.914514514514514 -0.000519934454383911 -0.00331760162563042 105 0.922422422422422 -0.000494439045587334 -0.00313243267369287 106 0.93033033033033 -0.000470362571964459 -0.00295861006777286 107 0.938238238238238 -0.000447618247881311 -0.00279539835466637 108 0.946146146146146 -0.000426124913507489 -0.00264210970693018 109 0.954054054054054 -0.000405806668847585 -0.0024981012355718 110 0.961961961961962 -0.000386592528829651 -0.00236277235627252 111 0.96986986986987 -0.000368416098931465 -0.00223556223214879 112 0.977777777777778 -0.000351215270670964 -0.00211594730935474 113 0.985685685685686 -0.000334931936180017 -0.00200343895654658 114 0.993593593593594 -0.000319511721010591 -0.00189758121509185 115 1.0015015015015 -0.000304903734281204 -0.0017979486636876 116 1.00940940940941 -0.00029106033525283 -0.00170414439857081 117 1.01731731731732 -0.000277936915421878 -0.00161579812861486 118 1.02522522522523 -0.000265491695229323 -0.00153256438318858 119 1.03313313313313 -0.000253685534506235 -0.00145412082961319 120 1.04104104104104 -0.000242481755804012 -0.00138016669631038 121 1.04894894894895 -0.00023184597979076 -0.00131042129722765 122 1.05685685685686 -0.000221745971931438 -0.00124462265280622 123 1.06476476476476 -0.000212151499707716 -0.00118252620257937 124 1.07267267267267 -0.00020303419967255 -0.0011239036044243 125 1.08058058058058 -0.000194367453673921 -0.00106854161551018 126 1.08848848848849 -0.000186126273620992 -0.00101624105006959 127 1.0963963963964 -0.000178287194204028 -0.000966815809252063 128 1.1043043043043 -0.000170828173016277 -0.00092009197848398 129 1.11221221221221 -0.000163728497561452 -0.00087590698794809 130 1.12012012012012 -0.000156968698664336 -0.000834108832000012 131 1.12802802802803 -0.000150530469834287 -0.000794555343551471 132 1.13593593593594 -0.00014439659216197 -0.000757113519666128 133 1.14384384384384 -0.000138550864358437 -0.00072165889482942 134 1.15175175175175 -0.000132978037572874 -0.000688074958566082 135 1.15965965965966 -0.00012766375465076 -0.00065625261428581 136 1.16756756756757 -0.000122594493518108 -0.00062608967643722 137 1.17547547547548 -0.000117757514399732 -0.000597490403241804 138 1.18338338338338 -0.000113140810600391 -0.00057036506246234 139 1.19129129129129 -0.000108733062597038 -0.000544629527833602 140 1.1991991991992 -0.00010452359520856 -0.000520204903947319 141 1.20710710710711 -0.000100502337626191 -0.000497017177537814 142 1.21501501501502 -9.66597861034766e-05 -0.000474996893260085 143 1.22292292292292 -9.29869691191989e-05 -0.000454078852188269 144 1.23083083083083 -8.94754148401676e-05 -0.000434201831389786 145 1.23873873873874 -8.61171207233263e-05 -0.000415308323049513 146 1.24664664664665 -8.29045251082381e-05 -0.000397344291729237 147 1.25455455455455 -7.98304806617878e-05 -0.000380258948450948 148 1.26246246246246 -7.68882295469269e-05 -0.000364004540388664 149 1.27037037037037 -7.40713801965398e-05 -0.000348536155042717 150 1.27827827827828 -7.13738855820806e-05 -0.000333811537853381 151 1.28618618618619 -6.87900228745753e-05 -0.000319790922287591 152 1.29409409409409 -6.63143744029343e-05 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1.42062062062062 -3.79450400188317e-05 -0.000159955896847201 169 1.42852852852853 -3.67043288072844e-05 -0.000153878845144371 170 1.43643643643644 -3.551063016352e-05 -0.000148063725456072 171 1.44434434434434 -3.43619230187044e-05 -0.000142497939609774 172 1.45225225225225 -3.32562832652634e-05 -0.000137169556554185 173 1.46016016016016 -3.21918786350171e-05 -0.000132067273906851 174 1.46806806806807 -3.11669638718407e-05 -0.000127180381889989 175 1.47597597597598 -3.01798761806002e-05 -0.000122498729496221 176 1.48388388388388 -2.92290309353182e-05 -0.000118012692736967 177 1.49179179179179 -2.83129176306478e-05 -0.000113713144836545 178 1.4996996996997 -2.74300960617785e-05 -0.000109591428244572 179 1.50760760760761 -2.65791927188702e-05 -0.000105639328348075 180 1.51551551551552 -2.57588973830139e-05 -0.000101849048772945 181 1.52342342342342 -2.49679599115641e-05 -9.82131881719396e-05 182 1.53133133133133 -2.42051872014686e-05 -9.47247184035124e-05 183 1.53923923923924 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-1.02819304252797e-09 981 7.84974974974975 -1.33571905888039e-09 -1.0209642438976e-09 982 7.85765765765766 -1.32767375863685e-09 -1.01379347002252e-09 983 7.86556556556557 -1.31968493651202e-09 -1.00668019745027e-09 984 7.87347347347347 -1.31175213984332e-09 -9.99623907970009e-10 985 7.88138138138138 -1.30387492004558e-09 -9.92624088554799e-10 986 7.88928928928929 -1.29605283257029e-09 -9.8568023130463e-10 987 7.8971971971972 -1.28828543686531e-09 -9.7879183339012e-10 988 7.9051051051051 -1.28057229633492e-09 -9.71958396996886e-10 989 7.91301301301301 -1.27291297830047e-09 -9.6517942927057e-10 990 7.92092092092092 -1.26530705396128e-09 -9.58454442262548e-10 991 7.92882882882883 -1.25775409835612e-09 -9.51782952876254e-10 992 7.93673673673674 -1.25025369032506e-09 -9.45164482814169e-10 993 7.94464464464464 -1.24280541247165e-09 -9.38598558525433e-10 994 7.95255255255255 -1.23540885112568e-09 -9.32084711154071e-10 995 7.96046046046046 -1.2280635963062e-09 -9.25622476487857e-10 996 7.96836836836837 -1.22076924168501e-09 -9.19211394907755e-10 997 7.97627627627628 -1.21352538455053e-09 -9.12851011337987e-10 998 7.98418418418418 -1.20633162577211e-09 -9.06540875196681e-10 999 7.99209209209209 -1.19918756976462e-09 -9.00280540347099e-10 1000 8 0 0 # Pair potential lj/cut for atom types 2 5: i,r,energy,force lj_2_5 N 1000 R 0.1 8 1 0.1 190825737645345 2.28990886717056e+16 2 0.107907907907908 76559250821875.1 8.51384330810771e+15 3 0.115815815815816 32765929528769.6 3.39496948640283e+15 4 0.123723723723724 14832048754787.5 1.43856476350219e+15 5 0.131631631631632 7052023486916.88 642887152271724 6 0.13953953953954 3501623804971.07 301129614502087 7 0.147447447447447 1807131649946.6 147073290694289 8 0.155355355355355 965432976606.096 74572239817731.1 9 0.163263263263263 532077839168.455 39108215510225.1 10 0.171171171171171 301626394318.279 21145601332081.9 11 0.179079079079079 175427847497.179 11755335399995.6 12 0.186986986986987 104447993546.143 6703013421726.15 13 0.194894894894895 63537639392.2357 3912118655583.83 14 0.202802802802803 39422949619.4246 2332687766753.87 15 0.210710710710711 24911340631.9272 1418704644065.93 16 0.218618618618619 16009971808.5144 878789758237.968 17 0.226526526526527 10452191939.2565 553694171556.697 18 0.234434434434434 6924352271.46917 354437352106.38 19 0.242342342342342 4650334101.97591 230269645979.853 20 0.25025025025025 3163306495.83034 151687124070.531 21 0.258158158158158 2177734727.13463 101228134820.618 22 0.266066066066066 1516215804.4967 68383892041.7029 23 0.273973973973974 1066897680.15695 46730017644.9085 24 0.281881881881882 758277332.046787 32280750628.6419 25 0.28978978978979 544047140.725183 22528715525.0321 26 0.297697697697698 393846663.947824 15875776554.8398 27 0.305605605605606 287538760.293355 11290643877.6559 28 0.313513513513514 211619759.881791 8099980557.17395 29 0.321421421421421 156939655.635882 5859254337.34709 30 0.329329329329329 117236966.807085 4271880965.22377 31 0.337237237237237 88186493.6446372 3137993951.73711 32 0.345145145145145 66773760.7525793 2321615313.89017 33 0.353053053053053 50879866.8824957 1729389855.24478 34 0.360960960960961 39003286.4818857 1296667680.862 35 0.368868868868869 30071713.005342 978306142.071983 36 0.376776776776777 23313672.7798344 742533730.131807 37 0.384684684684685 18170180.357355 566819874.260559 38 0.392592592592593 14233454.4953309 435071038.960461 39 0.4005005005005 11204076.082271 335711568.10693 40 0.408408408408408 8860815.68361556 260359753.348696 41 0.416316316316316 7039232.40423921 202907617.335695 42 0.424224224224224 5616390.27038249 158876664.791818 43 0.432132132132132 4499871.64156162 124963696.718554 44 0.44004004004004 3619829.57811539 98718470.4899626 45 0.447947947947948 2923203.57784288 78313456.970135 46 0.455855855855856 2369485.13107795 62378359.9626867 47 0.463763763763764 1927600.33058423 49880470.0124334 48 0.471671671671672 1573602.35379349 40037658.2726354 49 0.47957957957958 1288954.44119581 32254753.7458816 50 0.487487487487487 1059245.77783337 26076769.342222 51 0.495395395395395 873226.423163677 21154336.1554256 52 0.503303303303303 722078.581188317 17218031.2773612 53 0.511211211211211 598863.809223844 14059218.2833629 54 0.519119119119119 498101.827193602 11515680.9953331 55 0.527027027027027 415448.218814464 9460802.3169348 56 0.534934934934935 347446.778946918 7795377.39773438 57 0.542842842842843 291338.450711065 6441393.3424959 58 0.550750750750751 244913.34447618 5337283.49342036 59 0.558658658658659 206395.689205364 4434292.16283721 60 0.566566566566567 174354.057580035 3693679.11090264 61 0.574474474474475 147631.06205791 3084561.63774314 62 0.582382382382382 125288.107452072 2582242.72540073 63 0.59029029029029 106561.828758376 2166911.11463197 64 0.598198198198198 90829.6298500788 1822627.0552909 65 0.606106106106106 77582.3345864119 1536528.27121178 66 0.614014014014014 66402.4149166487 1298206.27884446 67 0.621921921921922 56946.6062486268 1099214.94091988 68 0.62982982982983 48931.985082673 932682.009160835 69 0.637737737737738 42124.7873622158 793001.139487764 70 0.645645645645646 36331.4028839999 675586.985454763 71 0.653553553553553 31391.1025033669 576679.888319282 72 0.661461461461461 27170.1491020322 493189.681086032 73 0.669369369369369 23557.016666683 422570.43013299 74 0.677277277277277 20458.4991474866 362719.717387399 75 0.685185185185185 17796.5356765547 311897.44321428 76 0.693093093093093 15505.6140180838 268660.199409206 77 0.701001001001001 13530.6419344553 231808.094328714 78 0.708908908908909 11825.1981326799 200341.56251049 79 0.716816816816817 10350.0918739896 173426.200519448 80 0.724724724724725 9072.1741698843 150364.070872246 81 0.732632632632633 7963.3545142862 130570.231045881 82 0.740540540540541 6999.78590834896 113553.49347544 83 0.748448448448448 6161.18798627725 98900.6195374319 84 0.756356356356356 5430.2837108287 86263.3069836347 85 0.764264264264264 4792.32966145692 75347.4548215733 86 0.772172172172172 4234.72361101945 65904.2889945017 87 0.78008008008008 3746.67605596457 57723.0116761529 88 0.787987987987988 3318.9347702405 50624.7006969859 89 0.795895895895896 2943.55340613585 44457.2368031853 90 0.803803803803804 2613.69675434955 39091.077669776 91 0.811711711711712 2323.47657132765 34415.7308582876 92 0.81961961961962 2067.81294062771 30336.8048193719 93 0.827527527527528 1842.31700188741 26773.5388534636 94 0.835435435435435 1643.19159207478 23656.7306603192 95 0.843343343343343 1467.14692819249 20926.9945292585 96 0.851251251251251 1311.32894195388 18533.2949830981 97 0.859159159159159 1173.25827408999 16431.7102995366 98 0.867067067067067 1050.77826421599 14584.3882024436 99 0.874974974974975 942.010544013807 12958.662470065 100 0.882882882882883 845.317066978222 11526.3045115606 101 0.890790790790791 759.267595348324 10262.8883304118 102 0.898698698698699 682.611820814208 9147.25089513413 103 0.906606606606607 614.255425630084 8161.03291368531 104 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-1.36867850166489e-05 915 7.32782782782783 -1.65979331416678e-05 -1.35838121337627e-05 916 7.33573573573574 -1.64909178407807e-05 -1.34817232409745e-05 917 7.34364364364364 -1.63847063823096e-05 -1.33805098163526e-05 918 7.35155155155155 -1.62792918765277e-05 -1.32801634290556e-05 919 7.35945945945946 -1.61746675000219e-05 -1.3180675738264e-05 920 7.36736736736737 -1.6070826494985e-05 -1.30820384921255e-05 921 7.37527527527527 -1.59677621685165e-05 -1.2984243526714e-05 922 7.38318318318318 -1.5865467891931e-05 -1.28872827650008e-05 923 7.39109109109109 -1.57639371000755e-05 -1.27911482158406e-05 924 7.398998998999 -1.56631632906536e-05 -1.26958319729687e-05 925 7.40690690690691 -1.5563140023559e-05 -1.2601326214012e-05 926 7.41481481481481 -1.54638609202152e-05 -1.25076231995119e-05 927 7.42272272272272 -1.53653196629242e-05 -1.24147152719603e-05 928 7.43063063063063 -1.52675099942218e-05 -1.23225948548469e-05 929 7.43853853853854 -1.51704257162411e-05 -1.22312544517192e-05 930 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-1.371089446333e-05 -1.08700691516789e-05 946 7.57297297297297 -1.36252483637758e-05 -1.07909152829133e-05 947 7.58088088088088 -1.35402256008919e-05 -1.07124191779336e-05 948 7.58878878878879 -1.34558209974588e-05 -1.06345746976151e-05 949 7.5966966966967 -1.33720294245529e-05 -1.05573757663785e-05 950 7.6046046046046 -1.32888458010467e-05 -1.04808163714677e-05 951 7.61251251251251 -1.32062650931153e-05 -1.04048905622366e-05 952 7.62042042042042 -1.31242823137475e-05 -1.03295924494452e-05 953 7.62832832832833 -1.3042892522263e-05 -1.02549162045641e-05 954 7.63623623623624 -1.29620908238355e-05 -1.01808560590872e-05 955 7.64414414414414 -1.28818723690204e-05 -1.01074063038534e-05 956 7.65205205205205 -1.28022323532878e-05 -1.00345612883768e-05 957 7.65995995995996 -1.27231660165621e-05 -9.96231542018412e-06 958 7.66786786786787 -1.26446686427647e-05 -9.89066316416146e-06 959 7.67577577577578 -1.25667355593638e-05 -9.81959904190828e-06 960 7.68368368368368 -1.24893621369281e-05 -9.74911763109966e-06 961 7.69159159159159 -1.24125437886859e-05 -9.67921356485616e-06 962 7.6994994994995 -1.2336275970089e-05 -9.60988153112154e-06 963 7.70740740740741 -1.22605541783819e-05 -9.54111627204801e-06 964 7.71531531531532 -1.21853739521753e-05 -9.47291258338896e-06 965 7.72322322322322 -1.21107308710245e-05 -9.40526531389916e-06 966 7.73113113113113 -1.20366205550129e-05 -9.33816936474216e-06 967 7.73903903903904 -1.19630386643396e-05 -9.27161968890507e-06 968 7.74694694694695 -1.18899808989123e-05 -9.20561129062028e-06 969 7.75485485485486 -1.18174429979437e-05 -9.14013922479426e-06 970 7.76276276276276 -1.17454207395535e-05 -9.07519859644336e-06 971 7.77067067067067 -1.16739099403742e-05 -9.01078456013632e-06 972 7.77857857857858 -1.16029064551614e-05 -8.94689231944364e-06 973 7.78648648648649 -1.15324061764085e-05 -8.88351712639361e-06 974 7.79439439439439 -1.14624050339654e-05 -8.82065428093473e-06 975 7.8023023023023 -1.13928989946621e-05 -8.75829913040492e-06 976 7.81021021021021 -1.13238840619357e-05 -8.69644706900685e-06 977 7.81811811811812 -1.12553562754618e-05 -8.63509353728976e-06 978 7.82602602602603 -1.11873117107903e-05 -8.57423402163749e-06 979 7.83393393393393 -1.11197464789849e-05 -8.51386405376258e-06 980 7.84184184184184 -1.10526567262662e-05 -8.45397921020658e-06 981 7.84974974974975 -1.09860386336598e-05 -8.39457511184623e-06 982 7.85765765765766 -1.09198884166471e-05 -8.33564742340561e-06 983 7.86556556556557 -1.08542023248208e-05 -8.2771918529742e-06 984 7.87347347347347 -1.07889766415437e-05 -8.21920415153059e-06 985 7.88138138138138 -1.07242076836115e-05 -8.16168011247197e-06 986 7.88928928928929 -1.0659891800919e-05 -8.10461557114917e-06 987 7.8971971971972 -1.05960253761304e-05 -8.04800640440733e-06 988 7.9051051051051 -1.05326048243529e-05 -7.99184853013198e-06 989 7.91301301301301 -1.04696265928137e-05 -7.93613790680048e-06 990 7.92092092092092 -1.04070871605412e-05 -7.88087053303901e-06 991 7.92882882882883 -1.03449830380489e-05 -7.8260424471845e-06 992 7.93673673673674 -1.0283310767023e-05 -7.77164972685205e-06 993 7.94464464464464 -1.02220669200141e-05 -7.71768848850735e-06 994 7.95255255255255 -1.01612481001306e-05 -7.66415488704411e-06 995 7.96046046046046 -1.01008509407377e-05 -7.61104511536667e-06 996 7.96836836836837 -1.00408721051574e-05 -7.55835540397735e-06 997 7.97627627627628 -9.98130828637335e-06 -7.50608202056881e-06 998 7.98418418418418 -9.92215620673834e-06 -7.4542212696212e-06 999 7.99209209209209 -9.8634126176847e-06 -7.40276949200396e-06 1000 8 0 0 # Pair potential lj/cut for atom types 3 3: i,r,energy,force lj_3_3 N 1000 R 0.1 8 1 0.1 9.22337202826484e+16 1.10680464390718e+19 2 0.107907907907908 3.70041518704148e+16 4.11508138171299e+18 3 0.115815815815816 1.58370860755828e+16 1.64092470257078e+18 4 0.123723723723724 7.16892331890426e+15 6.95315961897811e+17 5 0.131631631631632 3.40852551664698e+15 3.10733110209455e+17 6 0.13953953953954 1.69247513674041e+15 1.45548005803375e+17 7 0.147447447447447 873459191423413 7.1086414371277e+16 8 0.155355355355355 466632493076017 3.60437523428988e+16 9 0.163263263263263 257174583643281 1.89025685830997e+16 10 0.171171171171171 145788158631463 1.02205173458726e+16 11 0.179079079079079 84791337403699.9 5.68182542429736e+15 12 0.186986986986987 50483924146478.5 3.23983562480652e+15 13 0.194894894894895 30710306093756.5 1.89088422623064e+15 14 0.202802802802803 19054706561315.8 1.12748188379854e+15 15 0.210710710710711 12040661524095.9 685717131751543 16 0.218618618618619 7738270964816.94 424754565212149 17 0.226526526526527 5051971401785.36 267622788224448 18 0.234434434434434 3346823652603.61 171313941285046 19 0.242342342342342 2247698368302.75 111298680631769 20 0.25025025025025 1528957389164 73316573110508.6 21 0.258158158158158 1052590291854.44 48927701272272.4 22 0.266066066066066 732851064080.876 33052746454263.4 23 0.273973973973974 515677099667.35 22586548367778.9 24 0.281881881881882 366508099835.671 15602628292611 25 0.28978978978979 262961718479.72 10889070640800.8 26 0.297697697697698 190363523094.556 7673431925199.54 27 0.305605605605606 138980415095.422 5457248110695.66 28 0.313513513513514 102285520813.806 3915068217521.56 29 0.321421421421421 75856268071.0918 2832031792502.67 30 0.329329329329329 56666226620.421 2064787624013.67 31 0.337237237237237 42624849519.7137 1516732104668.48 32 0.345145145145145 32275116306.5115 1122141528012.39 33 0.353053053053053 24592874086.4153 835893508410.472 34 0.360960960960961 18852372932.6124 626740098435.672 35 0.368868868868869 14535322107.9985 472861996818.755 36 0.376776776776777 11268835814.7303 358902719760.094 37 0.384684684684685 8782732617.36607 273972306791.325 38 0.392592592592593 6879914365.93679 210292080675.887 39 0.4005005005005 5415658861.20795 162267041219.327 40 0.408408408408408 4283036263.752 125845955104.732 41 0.416316316316316 3402565038.66899 98076577486.5751 42 0.424224224224224 2714824747.98567 76794260061.4796 43 0.432132132132132 2175145774.11826 60402424390.339 44 0.44004004004004 1749767895.78664 47716761720.1798 45 0.447947947947948 1413044509.63304 37853947063.8988 46 0.455855855855856 1145395943.38997 30151655570.5431 47 0.463763763763764 931802688.174557 24110732522.4866 48 0.471671671671672 760690075.970806 19353139622.2837 49 0.47957957957958 623098368.726156 15591203431.3949 50 0.487487487487487 512062087.811878 12605007541.7956 51 0.495395395395395 422143553.118855 10225685488.1864 52 0.503303303303303 349080655.508613 8323012279.35659 53 0.511211211211211 289519667.982004 6796143777.19907 54 0.519119119119119 240811665.083606 5566672869.31912 55 0.527027027027027 200856741.077888 4573399125.50744 56 0.534934934934935 167984307.902899 3768371737.875 57 0.542842842842843 140860745.471457 3113882976.73507 58 0.550750750750751 118417875.373449 2580174371.34114 59 0.558658658658659 99797352.2767138 2143679619.67111 60 0.566566566566567 84307271.302544 1785673383.80205 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7.52552552552553 -0.000470104079194515 -0.000372578887697562 941 7.53343343343343 -0.000467168455152371 -0.000369877595635685 942 7.54134134134134 -0.000464254104714277 -0.000367198516824729 943 7.54924924924925 -0.000461360853024997 -0.000364541447986224 944 7.55715715715716 -0.000458488526828733 -0.000361906187876706 945 7.56506506506507 -0.000455636954453135 -0.000359292537265807 946 7.57297297297297 -0.000452805965793454 -0.000356700298914602 947 7.58088088088088 -0.000449995392296889 -0.000354129277554195 948 7.58878878878879 -0.000447205066947088 -0.00035157927986455 949 7.5966966966967 -0.000444434824248815 -0.000349050114453558 950 7.6046046046046 -0.000441684500212796 -0.000346541591836351 951 7.61251251251251 -0.000438953932340708 -0.000344053524414839 952 7.62042042042042 -0.000436242959610345 -0.000341585726457488 953 7.62832832832833 -0.000433551422460935 -0.000339138014079319 954 7.63623623623624 -0.000430879162778614 -0.000336710205222142 955 7.64414414414414 -0.000428226023882059 -0.000334302119635006 956 7.65205205205205 -0.000425591850508274 -0.000331913578854873 957 7.65995995995996 -0.000422976488798525 -0.000329544406187514 958 7.66786786786787 -0.000420379786284429 -0.000327194426688616 959 7.67577577577578 -0.000417801591874188 -0.000324863467145101 960 7.68368368368368 -0.000415241755838975 -0.000322551356056667 961 7.69159159159159 -0.000412700129799456 -0.000320257923617521 962 7.6994994994995 -0.000410176566712467 -0.000317983001698335 963 7.70740740740741 -0.000407670920857828 -0.000315726423828391 964 7.71531531531532 -0.00040518304782529 -0.000313488025177938 965 7.72322322322322 -0.000402712804501633 -0.000311267642540742 966 7.73113113113113 -0.000400260049057897 -0.000309065114316833 967 7.73903903903904 -0.00039782464093674 -0.000306880280495453 968 7.74694694694695 -0.000395406440839948 -0.000304712982638185 969 7.75485485485486 -0.000393005310716057 -0.000302563063862281 970 7.76276276276276 -0.000390621113748123 -0.000300430368824172 971 7.77067067067067 -0.000388253714341611 -0.000298314743703169 972 7.77857857857858 -0.00038590297811242 -0.00029621603618534 973 7.78648648648649 -0.000383568771875025 -0.000294134095447575 974 7.79439439439439 -0.000381250963630757 -0.000292068772141826 975 7.8023023023023 -0.000378949422556194 -0.000290019918379524 976 7.81021021021021 -0.000376664018991686 -0.000287987387716174 977 7.81811811811812 -0.000374394624429991 -0.000285971035136116 978 7.82602602602603 -0.000372141111505037 -0.000283970717037469 979 7.83393393393393 -0.000369903353980804 -0.000281986291217228 980 7.84184184184184 -0.000367681226740317 -0.000280017616856542 981 7.84974974974975 -0.000365474605774757 -0.000278064554506149 982 7.85765765765766 -0.000363283368172691 -0.000276126966071972 983 7.86556556556557 -0.000361107392109408 -0.000274204714800886 984 7.87347347347347 -0.000358946556836375 -0.000272297665266635 985 7.88138138138138 -0.000356800742670795 -0.000270405683355908 986 7.88928928928929 -0.000354669830985282 -0.000268528636254576 987 7.8971971971972 -0.000352553704197639 -0.000266666392434074 988 7.9051051051051 -0.000350452245760746 -0.000264818821637941 989 7.91301301301301 -0.000348365340152553 -0.00026298579486851 990 7.92092092092092 -0.00034629287286618 -0.000261167184373744 991 7.92882882882883 -0.000344234730400114 -0.000259362863634218 992 7.93673673673674 -0.000342190800248515 -0.000257572707350248 993 7.94464464464464 -0.000340160970891621 -0.000255796591429166 994 7.95255255255255 -0.000338145131786252 -0.000254034392972728 995 7.96046046046046 -0.000336143173356415 -0.000252285990264671 996 7.96836836836837 -0.000334154986984005 -0.000250551262758402 997 7.97627627627628 -0.000332180464999603 -0.000248830091064828 998 7.98418418418418 -0.000330219500673371 -0.00024712235694032 999 7.99209209209209 -0.000328271988206042 -0.000245427943274805 1000 8 0 0 # Pair potential lj/cut for atom types 3 4: i,r,energy,force lj_3_4 N 1000 R 0.1 8 1 0.1 6.6122195257322e+16 7.93466343493967e+18 2 0.107907907907908 2.65282127586127e+16 2.95009475702429e+18 3 0.115815815815816 1.13535797369014e+16 1.17637609381231e+18 4 0.123723723723724 5.13938878223217e+15 4.98470815813143e+17 5 0.131631631631632 2.4435660729419e+15 2.22764031638156e+17 6 0.13953953953954 1.21333251061377e+15 1.04343114721622e+17 7 0.147447447447447 626181389823245 5.09617280426413e+16 8 0.155355355355355 334528030408419 2.58397039780452e+16 9 0.163263263263263 184368015890696 1.35512188591058e+16 10 0.171171171171171 104515279663508 7.32707127915492e+15 11 0.179079079079079 60786763606704.6 4.07329085756246e+15 12 0.186986986986987 36191838155062.4 2.32263257652213e+15 13 0.194894894894895 22016165450524.6 1.3555716426488e+15 14 0.202802802802803 13660286237867.4 808289818611754 15 0.210710710710711 8631929445393.64 491589429105524 16 0.218618618618619 5547553075093.28 304505814927821 17 0.226526526526527 3621749554335.41 191858314891275 18 0.234434434434434 2399332077259.25 122814668599578 19 0.242342342342342 1611371060043.26 79789831765964.5 20 0.25025025025025 1096106894899.74 52560524431373.2 21 0.258158158158158 754600147274.046 35076184319665.9 22 0.266066066066066 525379648821.168 23695456635217.4 23 0.273973973973974 369688010433.523 16192257319531.7 24 0.281881881881882 262749013556.817 11185497099567.6 25 0.28978978978979 188516792908.721 7806355780338.83 26 0.297697697697698 136471273173.054 5501069958428.11 27 0.305605605605606 99634812795.5514 3912291627242.11 28 0.313513513513514 73328307330.586 2806705541220.92 29 0.321421421421421 54381222437.1855 2030278612568.07 30 0.329329329329329 40623915513.4305 1480242605375.35 31 0.337237237237237 30557677081.0022 1087342560530.68 32 0.345145145145145 23137971699.1616 804461266583.084 33 0.353053053053053 17630585937.5725 599250563392.23 34 0.360960960960961 13515230936.5365 449308851591.98 35 0.368868868868869 10420344969.8348 338993911943.878 36 0.376776776776777 8078606859.9091 257296707871.996 37 0.384684684684685 6296324008.21066 196410245643.791 38 0.392592592592593 4932197096.45009 150758005085.07 39 0.4005005005005 3882475034.21433 116328940306.615 40 0.408408408408408 3070500007.92944 90218729214.3436 41 0.416316316316316 2439291845.59249 70310912639.9667 42 0.424224224224224 1946252140.48348 55053658006.3844 43 0.432132132132132 1559357323.15725 43302381032.9229 44 0.44004004004004 1254404751.21033 34208052857.9743 45 0.447947947947948 1013008420.63804 27137419356.0425 46 0.455855855855856 821131699.62166 21615661012.6544 47 0.463763763763764 668007129.398118 17284934695.9867 48 0.471671671671672 545336851.50324 13874225423.1939 49 0.47957957957958 446697646.103633 11177300619.7881 50 0.487487487487487 367095974.380048 9036502606.96894 51 0.495395395395395 302633573.528699 7330771319.62642 52 0.503303303303303 250254945.45489 5966748696.9276 53 0.511211211211211 207555809.574124 4872139759.39622 54 0.519119119119119 172637156.245574 3990734591.27519 55 0.527027027027027 143993567.060841 3278658716.47564 56 0.534934934934935 120427400.661529 2701536289.35388 57 0.542842842842843 100982587.40633 2232334708.56056 58 0.550750750750751 84893352.2974289 1849720182.08714 59 0.558658658658659 71544349.2767 1536798072.42085 60 0.566566566566567 60439553.1323102 1280144220.36385 61 0.574474474474475 51177898.2802646 1069057207.7452 62 0.582382382382382 43434134.7884687 894979040.70119 63 0.59029029029029 36943733.4669255 751044711.78858 64 0.598198198198198 31490944.5119777 631730750.697983 65 0.606106106106106 26899320.6864075 532580081.447648 66 0.614014014014014 23024172.9976084 449985908.880286 67 0.621921921921922 19746546.6197524 381021425.988595 68 0.62982982982983 16968396.537871 323305208.069465 69 0.637737737737738 14608712.8891995 274894491.510805 70 0.645645645645646 12600400.3415727 234200309.929682 71 0.653553553553553 10887757.912377 199919816.153569 72 0.661461461461461 9424438.28389836 170982157.694645 73 0.669369369369369 8171791.0981554 146505072.509623 74 0.677277277277277 7097514.57658254 125759988.402396 75 0.685185185185185 6174555.37207659 108143886.637977 76 0.693093093093093 5380208.78990251 93156560.8347176 77 0.701001001001001 4695381.15134597 80382190.7206154 78 0.708908908908909 4103983.69038248 69474375.681839 79 0.716816816816817 3592433.40934553 60143949.5387113 80 0.724724724724725 3149241.11549984 52149036.6292365 81 0.732632632632633 2764670.6812123 45286918.4844987 82 0.740540540540541 2430456.62213322 39387366.6269222 83 0.748448448448448 2139569.53136131 34307165.3170096 84 0.756356356356356 1886020.8689574 29925602.2925501 85 0.764264264264264 1664700.18430897 26140748.6960354 86 0.772172172172172 1471239.12159518 22866383.814522 87 0.78008008008008 1301897.58741159 20029447.7910668 88 0.787987987987988 1153468.29310716 17567927.5403843 89 0.795895895895896 1023196.56112776 15429098.8376207 90 0.803803803803804 908712.835313641 13568061.8325879 91 0.811711711711712 807975.784100302 11946518.7701025 92 0.81961961961962 719224.252444511 10531752.0218593 93 0.827527527527528 640936.618669704 9295768.09377232 94 0.835435435435435 571796.35883961 8214579.412258 95 0.843343343343343 510662.823811786 7267600.69009946 96 0.851251251251251 456546.400922384 6437140.74802416 97 0.859159159159159 408587.369874506 5707973.99846981 98 0.867067067067067 366037.876157761 5066978.5246972 99 0.874974974974975 328246.539523915 4502829.92506844 100 0.882882882882883 294645.293183387 4005741.93041763 101 0.890790790790791 264738.11431936 3567246.31576414 102 0.898698698698699 238091.360564782 3180005.87577328 103 0.906606606606607 214325.472151905 2837655.26462361 104 0.914514514514514 193107.837079329 2534665.3544565 105 0.922422422422422 174146.648123061 2266227.47418908 106 0.93033033033033 157185.606893823 2028154.47808618 107 0.938238238238238 141999.35227515 1816796.08225427 108 0.946146146146146 128389.509176772 1628966.31442053 109 0.954054054054054 116181.269192666 1461881.26214057 110 0.961961961961962 105220.427948665 1313105.58854044 111 0.96986986986987 95370.8150631965 1180506.52237428 112 0.977777777777778 86512.0620605895 1062214.22841031 113 0.985685685685686 78537.6615470056 956587.631409627 114 0.993593593593594 71353.2777156585 862184.907570884 115 1.0015015015015 64875.2739831643 777737.975691965 116 1.00940940940941 59029.4284335794 702130.420101627 117 1.01731731731732 53749.81189545 634378.361670755 118 1.02522522522523 48977.8070126899 573613.864442237 119 1.03313313313313 44661.2496868075 519070.525714978 120 1.04104104104104 40753.676845256 470070.9485265 121 1.04894894894895 37213.6666952299 426015.838855806 122 1.05685685685686 34004.259510231 386374.506730216 123 1.06476476476476 31092.448615591 350676.581784611 124 1.07267267267267 28448.7326288378 318504.780541661 125 1.08058058058058 26046.7212051684 289488.58547266 126 1.08848848848849 23862.7875659534 263298.715361538 127 1.0963963963964 21875.7619734146 239642.28313507 128 1.1043043043043 20066.6610779819 218258.551566148 129 1.11221221221221 18418.4487238238 198915.209463256 130 1.12012012012012 16915.8243675607 181405.101431357 131 1.12802802802803 15545.0357578623 165543.353283554 132 1.13593593593594 14293.7129503183 151164.842916255 133 1.14384384384384 13150.7211018737 138121.973116962 134 1.15175175175175 12106.0298101191 126282.7085094 135 1.15965965965966 11150.5970415675 115528.843788015 136 1.16756756756757 10276.2659355046 105754.474665645 137 1.17547547547548 9475.67298102441 96864.6466504603 138 1.18338338338338 8742.16624870991 88774.1599628321 139 1.19129129129129 8069.73251873048 81406.5116695427 140 1.1991991991992 7452.93228706201 74692.9585112433 141 1.20710710710711 6886.84175377978 68571.6859803922 142 1.21501501501502 6367.00100427312 62987.0710146964 143 1.22292292292292 5889.36768778793 57889.0272427634 144 1.23083083083083 5450.2755796574 53232.4230863433 145 1.23873873873874 5046.39748543597 48976.5642148005 146 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7.84184184184184 -0.000289832540878074 -0.000220822978127136 981 7.84974974974975 -0.000288092395476606 -0.000219281665147624 982 7.85765765765766 -0.000286364390222131 -0.000217752578515398 983 7.86556556556557 -0.000284648428858575 -0.000216235609970251 984 7.87347347347347 -0.0002829444159818 -0.000214730652305566 985 7.88138138138138 -0.000281252257031324 -0.000213237599357209 986 7.88928928928929 -0.000279571858282109 -0.000211756345992543 987 7.8971971971972 -0.00027790312683646 -0.000210286788099574 988 7.9051051051051 -0.000276245970615985 -0.000208828822576211 989 7.91301301301301 -0.000274600298353657 -0.000207382347319651 990 7.92092092092092 -0.000272966019585954 -0.00020594726121588 991 7.92882882882883 -0.000271343044645077 -0.000204523464129295 992 7.93673673673674 -0.000269731284651256 -0.000203110856892442 993 7.94464464464464 -0.000268130651505134 -0.000201709341295865 994 7.95255255255255 -0.000266541057880229 -0.000200318820078075 995 7.96046046046046 -0.00026496241721548 -0.000198939196915626 996 7.96836836836837 -0.000263394643707865 -0.000197570376413304 997 7.97627627627628 -0.000261837652305103 -0.000196212264094427 998 7.98418418418418 -0.000260291358698422 -0.000194864766391251 999 7.99209209209209 -0.000258755679315414 -0.000193527790635484 1000 8 0 0 # Pair potential lj/cut for atom types 3 5: i,r,energy,force lj_3_5 N 1000 R 0.1 8 1 0.1 6.6122195257322e+16 7.93466343493967e+18 2 0.107907907907908 2.65282127586127e+16 2.95009475702429e+18 3 0.115815815815816 1.13535797369014e+16 1.17637609381231e+18 4 0.123723723723724 5.13938878223217e+15 4.98470815813143e+17 5 0.131631631631632 2.4435660729419e+15 2.22764031638156e+17 6 0.13953953953954 1.21333251061377e+15 1.04343114721622e+17 7 0.147447447447447 626181389823245 5.09617280426413e+16 8 0.155355355355355 334528030408419 2.58397039780452e+16 9 0.163263263263263 184368015890696 1.35512188591058e+16 10 0.171171171171171 104515279663508 7.32707127915492e+15 11 0.179079079079079 60786763606704.6 4.07329085756246e+15 12 0.186986986986987 36191838155062.4 2.32263257652213e+15 13 0.194894894894895 22016165450524.6 1.3555716426488e+15 14 0.202802802802803 13660286237867.4 808289818611754 15 0.210710710710711 8631929445393.64 491589429105524 16 0.218618618618619 5547553075093.28 304505814927821 17 0.226526526526527 3621749554335.41 191858314891275 18 0.234434434434434 2399332077259.25 122814668599578 19 0.242342342342342 1611371060043.26 79789831765964.5 20 0.25025025025025 1096106894899.74 52560524431373.2 21 0.258158158158158 754600147274.046 35076184319665.9 22 0.266066066066066 525379648821.168 23695456635217.4 23 0.273973973973974 369688010433.523 16192257319531.7 24 0.281881881881882 262749013556.817 11185497099567.6 25 0.28978978978979 188516792908.721 7806355780338.83 26 0.297697697697698 136471273173.054 5501069958428.11 27 0.305605605605606 99634812795.5514 3912291627242.11 28 0.313513513513514 73328307330.586 2806705541220.92 29 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532580081.447648 66 0.614014014014014 23024172.9976084 449985908.880286 67 0.621921921921922 19746546.6197524 381021425.988595 68 0.62982982982983 16968396.537871 323305208.069465 69 0.637737737737738 14608712.8891995 274894491.510805 70 0.645645645645646 12600400.3415727 234200309.929682 71 0.653553553553553 10887757.912377 199919816.153569 72 0.661461461461461 9424438.28389836 170982157.694645 73 0.669369369369369 8171791.0981554 146505072.509623 74 0.677277277277277 7097514.57658254 125759988.402396 75 0.685185185185185 6174555.37207659 108143886.637977 76 0.693093093093093 5380208.78990251 93156560.8347176 77 0.701001001001001 4695381.15134597 80382190.7206154 78 0.708908908908909 4103983.69038248 69474375.681839 79 0.716816816816817 3592433.40934553 60143949.5387113 80 0.724724724724725 3149241.11549984 52149036.6292365 81 0.732632632632633 2764670.6812123 45286918.4844987 82 0.740540540540541 2430456.62213322 39387366.6269222 83 0.748448448448448 2139569.53136131 34307165.3170096 84 0.756356356356356 1886020.8689574 29925602.2925501 85 0.764264264264264 1664700.18430897 26140748.6960354 86 0.772172172172172 1471239.12159518 22866383.814522 87 0.78008008008008 1301897.58741159 20029447.7910668 88 0.787987987987988 1153468.29310716 17567927.5403843 89 0.795895895895896 1023196.56112776 15429098.8376207 90 0.803803803803804 908712.835313641 13568061.8325879 91 0.811711711711712 807975.784100302 11946518.7701025 92 0.81961961961962 719224.252444511 10531752.0218593 93 0.827527527527528 640936.618669704 9295768.09377232 94 0.835435435435435 571796.35883961 8214579.412258 95 0.843343343343343 510662.823811786 7267600.69009946 96 0.851251251251251 456546.400922384 6437140.74802416 97 0.859159159159159 408587.369874506 5707973.99846981 98 0.867067067067067 366037.876157761 5066978.5246972 99 0.874974974974975 328246.539523915 4502829.92506844 100 0.882882882882883 294645.293183387 4005741.93041763 101 0.890790790790791 264738.11431936 3567246.31576414 102 0.898698698698699 238091.360564782 3180005.87577328 103 0.906606606606607 214325.472151905 2837655.26462361 104 0.914514514514514 193107.837079329 2534665.3544565 105 0.922422422422422 174146.648123061 2266227.47418908 106 0.93033033033033 157185.606893823 2028154.47808618 107 0.938238238238238 141999.35227515 1816796.08225427 108 0.946146146146146 128389.509176772 1628966.31442053 109 0.954054054054054 116181.269192666 1461881.26214057 110 0.961961961961962 105220.427948665 1313105.58854044 111 0.96986986986987 95370.8150631965 1180506.52237428 112 0.977777777777778 86512.0620605895 1062214.22841031 113 0.985685685685686 78537.6615470056 956587.631409627 114 0.993593593593594 71353.2777156585 862184.907570884 115 1.0015015015015 64875.2739831643 777737.975691965 116 1.00940940940941 59029.4284335794 702130.420101627 117 1.01731731731732 53749.81189545 634378.361670755 118 1.02522522522523 48977.8070126899 573613.864442237 119 1.03313313313313 44661.2496868075 519070.525714978 120 1.04104104104104 40753.676845256 470070.9485265 121 1.04894894894895 37213.6666952299 426015.838855806 122 1.05685685685686 34004.259510231 386374.506730216 123 1.06476476476476 31092.448615591 350676.581784611 124 1.07267267267267 28448.7326288378 318504.780541661 125 1.08058058058058 26046.7212051684 289488.58547266 126 1.08848848848849 23862.7875659534 263298.715361538 127 1.0963963963964 21875.7619734146 239642.28313507 128 1.1043043043043 20066.6610779819 218258.551566148 129 1.11221221221221 18418.4487238238 198915.209463256 130 1.12012012012012 16915.8243675607 181405.101431357 131 1.12802802802803 15545.0357578623 165543.353283554 132 1.13593593593594 14293.7129503183 151164.842916255 133 1.14384384384384 13150.7211018737 138121.973116962 134 1.15175175175175 12106.0298101191 126282.7085094 135 1.15965965965966 11150.5970415675 115528.843788015 136 1.16756756756757 10276.2659355046 105754.474665645 137 1.17547547547548 9475.67298102441 96864.6466504603 138 1.18338338338338 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2230.91410966747 20249.868260226 157 1.33363363363363 2076.82740220761 18741.3604775672 158 1.34154154154154 1934.18731041653 17353.1056103034 159 1.34944944944945 1802.08388945776 16074.8942280225 160 1.35735735735736 1679.68423456621 14897.4360954662 161 1.36526526526527 1566.22556392603 13812.2727429659 162 1.37317317317317 1461.0089576724 12811.6987922941 163 1.38108108108108 1363.39368749004 11888.6911176079 164 1.38898898898899 1272.79207815048 11036.8450224184 165 1.3968968968969 1188.66484844569 10250.316703162 166 1.4048048048048 1110.51688442366 9523.77134933087 167 1.41271271271271 1037.89340268805 8852.33630048977 168 1.42062062062062 970.376465856638 8231.55874291737 169 1.42852852852853 907.581816140095 7657.36748400312 170 1.43643643643644 849.155996456783 7126.03839173045 171 1.44434434434434 794.773731586385 6634.1631303015 172 1.45225225225225 744.135544625983 6178.6208618459 173 1.46016016016016 696.965586482727 5756.55261876078 174 1.46806806806807 653.009658349511 5365.33808204595 175 1.47597597597598 612.033409092167 5002.57452845643 176 1.48388388388388 573.820691253531 4666.05773377762 177 1.49179179179179 538.172060973772 4353.7646413708 178 1.4996996996997 504.903408557065 4063.83762463693 179 1.50760760760761 473.844707699495 3794.57018946455 180 1.51551551551552 444.838872547752 3544.3939782968 181 1.52342342342342 417.740712796229 3311.86695137625 182 1.53133133133133 392.41597796402 3095.66263318604 183 1.53923923923924 368.740482834001 2894.56032326288 184 1.54714714714715 346.599306793145 2707.43618055247 185 1.55505505505506 325.886060495508 2533.25509943799 186 1.56296296296296 306.502213884338 2371.06330360927 187 1.57087087087087 288.356480164599 2219.98159115205 188 1.57877877877878 271.364250817992 2079.19917071348 189 1.58668668668669 255.447077204697 1947.96803441786 190 1.59459459459459 240.532194704688 1825.59781843749 191 1.6025025025025 226.552085720713 1711.45110682683 192 1.61041041041041 213.444078199123 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-0.000208828822576211 989 7.91301301301301 -0.000274600298353657 -0.000207382347319651 990 7.92092092092092 -0.000272966019585954 -0.00020594726121588 991 7.92882882882883 -0.000271343044645077 -0.000204523464129295 992 7.93673673673674 -0.000269731284651256 -0.000203110856892442 993 7.94464464464464 -0.000268130651505134 -0.000201709341295865 994 7.95255255255255 -0.000266541057880229 -0.000200318820078075 995 7.96046046046046 -0.00026496241721548 -0.000198939196915626 996 7.96836836836837 -0.000263394643707865 -0.000197570376413304 997 7.97627627627628 -0.000261837652305103 -0.000196212264094427 998 7.98418418418418 -0.000260291358698422 -0.000194864766391251 999 7.99209209209209 -0.000258755679315414 -0.000193527790635484 1000 8 0 0 # Pair potential lj/cut for atom types 4 4: i,r,energy,force lj_4_4 N 1000 R 0.1 8 1 0.1 4.72597669740627e+16 5.67117204008254e+18 2 0.107907907907908 1.89606099473342e+16 2.10853239564762e+18 3 0.115815815815816 8.11478703211644e+15 8.4079573961342e+17 4 0.123723723723724 3.67329480256031e+15 3.56273933511964e+17 5 0.131631631631632 1.74649923060628e+15 1.59216979755642e+17 6 0.13953953953954 867209738768702 7.45775494375616e+16 7 0.147447447447447 447552995224422 3.64240688242451e+16 8 0.155355355355355 239098485471849 1.84685094493518e+16 9 0.163263263263263 131774049824506 9.6855139555509e+15 10 0.171171171171171 74700601372953.8 5.23690539151321e+15 11 0.179079079079079 43446353565614.6 2.91131859263398e+15 12 0.186986986986987 25867529405986.2 1.66006397208977e+15 13 0.194894894894895 15735697204715.7 968872850099229 14 0.202802802802803 9763468035539.81 577712040462711 15 0.210710710710711 6169531560436.16 351355572415029 16 0.218618618618619 3965023569766.58 217640592847728 17 0.226526526526527 2588586736155.61 137127618892055 18 0.234434434434434 1714883670960.54 87779792357672.8 19 0.242342342342342 1151701314918.59 57028487975644.4 20 0.25025025025025 783424611404.821 37566782164260.5 21 0.258158158158158 539338203984.972 25070133647269.1 22 0.266066066066066 375506571940.366 16935943130656 23 0.273973973973974 264228499944.696 11573153131351.2 24 0.281881881881882 187795587606.05 7994652487507.62 25 0.28978978978979 134739312958.317 5579466054174.02 26 0.297697697697698 97540622802.0739 3931800419299.87 27 0.305605605605606 71212361019.5052 2796246890622.61 28 0.313513513513514 52410213612.8648 2006047180446.45 29 0.321421421421421 38868092599.0909 1451108637615.58 30 0.329329329329329 29035281131.1571 1057979332468.39 31 0.337237237237237 21840600928.9123 777160406406.807 32 0.345145145145145 16537487237.8712 574975596922.003 33 0.353053053053053 12601172925.975 428304581378.484 34 0.360960960960961 9659789977.10708 321136180113.756 35 0.368868868868869 7447770680.46406 242290370762.588 36 0.376776776776777 5774051565.73056 183898623104.068 37 0.384684684684685 4500193994.40482 140381015088.988 38 0.392592592592593 3525206574.55694 107751819453.09 39 0.4005005005005 2774934900.51969 83144206273.9542 40 0.408408408408408 2194589046.2984 64482358500.6894 41 0.416316316316316 1743443360.61837 50253571320.8168 42 0.424224224224224 1391051325.31058 39348697612.2376 43 0.432132132132132 1114524615.32064 30949664360.8243 44 0.44004004004004 896564786.084204 24449641988.9454 45 0.447947947947948 724030740.768216 19396022407.1942 46 0.455855855855856 586890025.577364 15449436090.7451 47 0.463763763763764 477446774.974466 12354120483.6758 48 0.471671671671672 389770230.045193 9916372038.46099 49 0.47957957957958 319269499.315938 7988789380.87219 50 0.487487487487487 262375532.531308 6458689253.54178 51 0.495395395395395 216302110.119545 5239545948.22803 52 0.503303303303303 178865364.844008 4264633313.52689 53 0.511211211211211 148346876.559816 3482279692.61045 54 0.519119119119119 123389359.281282 2852309966.0427 55 0.527027027027027 102916839.927054 2343365568.95826 56 0.534934934934935 86073324.0313553 1930876927.80979 57 0.542842842842843 72175476.5614287 1595522933.18377 58 0.550750750750751 60675972.4654212 1322055606.68027 59 0.558658658658659 51135003.3110807 1098399783.12026 60 0.566566566566567 43198043.2838829 914960765.021745 61 0.574474474474475 36578437.4041221 764089889.556196 62 0.582382382382382 31043718.6830668 639670471.366161 63 0.59029029029029 26404819.2831196 536795859.43136 64 0.598198198198198 22507535.6292916 451518244.425323 65 0.606106106106106 19225755.0074595 380652004.886255 66 0.614014014014014 16456063.3840636 321619243.620636 67 0.621921921921922 14113439.7953624 272328073.797393 68 0.62982982982983 12127808.2183114 231076411.621049 69 0.637737737737738 10441268.2220235 196475699.091185 70 0.645645645645646 9005864.55486712 167390248.947089 71 0.653553553553553 7781785.88661432 142888872.913156 72 0.661461461461461 6735906.26277489 122206197.082031 73 0.669369369369369 5840601.0019667 104711639.446617 74 0.677277277277277 5072782.96340691 89884465.2716967 75 0.685185185185185 4413116.23440387 77293677.0748718 76 0.693093093093093 3845373.02819302 66581760.7942961 77 0.701001001001001 3355906.47062935 57451515.9347917 78 0.708908908908909 2933217.39793356 49655358.5437088 79 0.716816816816817 2567597.60161624 42986612.0234529 80 0.724724724724725 2250835.38451199 37272399.8817552 81 0.732632632632633 1975972.02270065 32367832.5727075 82 0.740540540540541 1737099.90925907 28151242.2249795 83 0.748448448448448 1529194.90228239 24520267.8661017 84 0.756356356356356 1347976.80148611 21388632.5033996 85 0.764264264264264 1189793.00564778 18683484.264165 86 0.772172172172172 1051521.31282255 16343198.4048634 87 0.78008008008008 930488.560591786 14315556.6792815 88 0.787987987987988 824402.399329256 12556236.3322109 89 0.795895895895896 731293.975159665 11027553.661955 90 0.803803803803804 649469.692854439 9697417.30380487 91 0.811711711711712 577470.549826548 8538454.62629525 92 0.81961961961962 514037.794601967 7527281.2967902 93 0.827527527527528 458083.877831756 6643889.47526043 94 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1.12012012012012 12087.8432602088 129643.135325162 131 1.12802802802803 11108.1963316888 118306.843253405 132 1.13593593593594 10213.9307632953 108030.636689585 133 1.14384384384384 9397.08837203038 98709.0250306266 134 1.15175175175175 8650.50033981196 90247.64010157 135 1.15965965965966 7967.70425417289 82561.9984146934 136 1.16756756756757 7342.87035148769 75576.4083137566 137 1.17547547547548 6770.7358889271 69223.0042180708 138 1.18338338338338 6246.54670273914 63440.8924643603 139 1.19129129129129 5766.00512503849 58175.3952218511 140 1.1991991991992 5325.22353129899 53377.3806703241 141 1.20710710710711 4920.68287811683 49002.6691184397 142 1.21501501501502 4549.19566721557 45011.5060317361 143 1.22292292292292 4207.87283853223 41368.0940630318 144 1.23083083083083 3894.09415379875 38040.1771554829 145 1.23873873873874 3605.48168339014 34998.6706399727 146 1.24664664664665 3339.87605427509 32217.3319907689 147 1.25455455455455 3095.31515648315 29672.4675510434 148 1.26246246246246 2870.01504029177 27342.6711054843 149 1.27037037037037 2662.35276693986 25208.5906716289 150 1.27827827827828 2470.85100261947 23252.7203140791 151 1.28618618618619 2294.16416923917 21459.2141644691 152 1.29409409409409 2131.06598638912 19813.7201619244 153 1.302002002002 1980.43825741553 18303.2313198162 154 1.30990990990991 1841.26076883097 16915.9525800856 155 1.31781781781782 1712.60218671273 15641.1815408515 156 1.32572572572573 1593.61184650011 14469.2015403092 157 1.33363363363363 1483.51234389727 13391.1857535372 158 1.34154154154154 1381.5928445945 12399.1111116831 159 1.34944944944945 1287.20303939104 11485.6809877014 160 1.35735735735736 1199.74767917325 10644.2557116053 161 1.36526526526527 1118.6816311881 9868.79008302924 162 1.37317317317317 1043.50540425965 9153.77714148636 163 1.38108108108108 973.761096114956 8494.19753654011 164 1.38898898898899 909.028720894963 7885.47391248461 165 1.3968968968969 848.92287929745 7323.4297861936 166 1.4048048048048 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-0.000229493949663364 -0.000175091631263084 980 7.84184184184184 -0.000228114187699569 -0.000173867517105971 981 7.84974974974975 -0.000226744067388434 -0.000172653132995291 982 7.85765765765766 -0.000225383512127773 -0.000171448392545207 983 7.86556556556557 -0.000224032445995188 -0.000170253210213614 984 7.87347347347347 -0.000222690793741434 -0.000169067501293202 985 7.88138138138138 -0.000221358480783854 -0.000167891181902622 986 7.88928928928929 -0.000220035433199876 -0.000166724168977737 987 7.8971971971972 -0.000218721577720592 -0.000165566380262992 988 7.9051051051051 -0.000217416841724394 -0.000164417734302871 989 7.91301301301301 -0.00021612115323068 -0.000163278150433444 990 7.92092092092092 -0.00021483444089363 -0.000162147548774027 991 7.92882882882883 -0.000213556633996042 -0.000161025850218922 992 7.93673673673674 -0.000212287662443238 -0.000159912976429254 993 7.94464464464464 -0.000211027456757032 -0.000158808849824902 994 7.95255255255255 -0.000209775948069759 -0.000157713393576521 995 7.96046046046046 -0.000208533068118372 -0.000156626531597648 996 7.96836836836837 -0.000207298749238598 -0.000155548188536908 997 7.97627627627628 -0.000206072924359152 -0.000154478289770294 998 7.98418418418418 -0.00020485552699602 -0.000153416761393547 999 7.99209209209209 -0.000203646491246796 -0.000152363530214613 1000 8 0 0 # Pair potential lj/cut for atom types 4 5: i,r,energy,force lj_4_5 N 1000 R 0.1 8 1 0.1 4.72597669740627e+16 5.67117204008254e+18 2 0.107907907907908 1.89606099473342e+16 2.10853239564762e+18 3 0.115815815815816 8.11478703211644e+15 8.4079573961342e+17 4 0.123723723723724 3.67329480256031e+15 3.56273933511964e+17 5 0.131631631631632 1.74649923060628e+15 1.59216979755642e+17 6 0.13953953953954 867209738768702 7.45775494375616e+16 7 0.147447447447447 447552995224422 3.64240688242451e+16 8 0.155355355355355 239098485471849 1.84685094493518e+16 9 0.163263263263263 131774049824506 9.6855139555509e+15 10 0.171171171171171 74700601372953.8 5.23690539151321e+15 11 0.179079079079079 43446353565614.6 2.91131859263398e+15 12 0.186986986986987 25867529405986.2 1.66006397208977e+15 13 0.194894894894895 15735697204715.7 968872850099229 14 0.202802802802803 9763468035539.81 577712040462711 15 0.210710710710711 6169531560436.16 351355572415029 16 0.218618618618619 3965023569766.58 217640592847728 17 0.226526526526527 2588586736155.61 137127618892055 18 0.234434434434434 1714883670960.54 87779792357672.8 19 0.242342342342342 1151701314918.59 57028487975644.4 20 0.25025025025025 783424611404.821 37566782164260.5 21 0.258158158158158 539338203984.972 25070133647269.1 22 0.266066066066066 375506571940.366 16935943130656 23 0.273973973973974 264228499944.696 11573153131351.2 24 0.281881881881882 187795587606.05 7994652487507.62 25 0.28978978978979 134739312958.317 5579466054174.02 26 0.297697697697698 97540622802.0739 3931800419299.87 27 0.305605605605606 71212361019.5052 2796246890622.61 28 0.313513513513514 52410213612.8648 2006047180446.45 29 0.321421421421421 38868092599.0909 1451108637615.58 30 0.329329329329329 29035281131.1571 1057979332468.39 31 0.337237237237237 21840600928.9123 777160406406.807 32 0.345145145145145 16537487237.8712 574975596922.003 33 0.353053053053053 12601172925.975 428304581378.484 34 0.360960960960961 9659789977.10708 321136180113.756 35 0.368868868868869 7447770680.46406 242290370762.588 36 0.376776776776777 5774051565.73056 183898623104.068 37 0.384684684684685 4500193994.40482 140381015088.988 38 0.392592592592593 3525206574.55694 107751819453.09 39 0.4005005005005 2774934900.51969 83144206273.9542 40 0.408408408408408 2194589046.2984 64482358500.6894 41 0.416316316316316 1743443360.61837 50253571320.8168 42 0.424224224224224 1391051325.31058 39348697612.2376 43 0.432132132132132 1114524615.32064 30949664360.8243 44 0.44004004004004 896564786.084204 24449641988.9454 45 0.447947947947948 724030740.768216 19396022407.1942 46 0.455855855855856 586890025.577364 15449436090.7451 47 0.463763763763764 477446774.974466 12354120483.6758 48 0.471671671671672 389770230.045193 9916372038.46099 49 0.47957957957958 319269499.315938 7988789380.87219 50 0.487487487487487 262375532.531308 6458689253.54178 51 0.495395395395395 216302110.119545 5239545948.22803 52 0.503303303303303 178865364.844008 4264633313.52689 53 0.511211211211211 148346876.559816 3482279692.61045 54 0.519119119119119 123389359.281282 2852309966.0427 55 0.527027027027027 102916839.927054 2343365568.95826 56 0.534934934934935 86073324.0313553 1930876927.80979 57 0.542842842842843 72175476.5614287 1595522933.18377 58 0.550750750750751 60675972.4654212 1322055606.68027 59 0.558658658658659 51135003.3110807 1098399783.12026 60 0.566566566566567 43198043.2838829 914960765.021745 61 0.574474474474475 36578437.4041221 764089889.556196 62 0.582382382382382 31043718.6830668 639670471.366161 63 0.59029029029029 26404819.2831196 536795859.43136 64 0.598198198198198 22507535.6292916 451518244.425323 65 0.606106106106106 19225755.0074595 380652004.886255 66 0.614014014014014 16456063.3840636 321619243.620636 67 0.621921921921922 14113439.7953624 272328073.797393 68 0.62982982982983 12127808.2183114 231076411.621049 69 0.637737737737738 10441268.2220235 196475699.091185 70 0.645645645645646 9005864.55486712 167390248.947089 71 0.653553553553553 7781785.88661432 142888872.913156 72 0.661461461461461 6735906.26277489 122206197.082031 73 0.669369369369369 5840601.0019667 104711639.446617 74 0.677277277277277 5072782.96340691 89884465.2716967 75 0.685185185185185 4413116.23440387 77293677.0748718 76 0.693093093093093 3845373.02819302 66581760.7942961 77 0.701001001001001 3355906.47062935 57451515.9347917 78 0.708908908908909 2933217.39793356 49655358.5437088 79 0.716816816816817 2567597.60161624 42986612.0234529 80 0.724724724724725 2250835.38451199 37272399.8817552 81 0.732632632632633 1975972.02270065 32367832.5727075 82 0.740540540540541 1737099.90925907 28151242.2249795 83 0.748448448448448 1529194.90228239 24520267.8661017 84 0.756356356356356 1347976.80148611 21388632.5033996 85 0.764264264264264 1189793.00564778 18683484.264165 86 0.772172172172172 1051521.31282255 16343198.4048634 87 0.78008008008008 930488.560591786 14315556.6792815 88 0.787987987987988 824402.399329256 12556236.3322109 89 0.795895895895896 731293.975159665 11027553.661955 90 0.803803803803804 649469.692854439 9697417.30380487 91 0.811711711711712 577470.549826548 8538454.62629525 92 0.81961961961962 514037.794601967 7527281.2967902 93 0.827527527527528 458083.877831756 6643889.47526043 94 0.835435435435435 408667.840029413 5871134.48325398 95 0.843343343343343 364974.424982356 5194303.36670146 96 0.851251251251251 326296.327003618 4600751.68408856 97 0.859159159159159 292019.078552231 4079597.23183659 98 0.867067067067067 261608.166055409 3621461.36758372 99 0.874974974974975 234598.029091597 3218250.19067529 100 0.882882882882883 210582.653942625 2862969.15292916 101 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1.03313313313313 31916.8955695987 370973.962430144 120 1.04104104104104 29124.2004986697 335953.519100344 121 1.04894894894895 26594.2056186858 304466.982416355 122 1.05685685685686 24300.4951097625 276135.055022355 123 1.06476476476476 22219.4784959359 250621.551682836 124 1.07267267267267 20330.0706188138 227628.229840476 125 1.08058058058058 18613.4098529294 206890.271852095 126 1.08848848848849 17052.6097583215 188172.332793611 127 1.0963963963964 15632.5399985568 171265.079618406 128 1.1043043043043 14339.6328980108 155982.157634021 129 1.11221221221221 13161.7124832253 142157.528986341 130 1.12012012012012 12087.8432602088 129643.135325162 131 1.12802802802803 11108.1963316888 118306.843253405 132 1.13593593593594 10213.9307632953 108030.636689585 133 1.14384384384384 9397.08837203038 98709.0250306266 134 1.15175175175175 8650.50033981196 90247.64010157 135 1.15965965965966 7967.70425417289 82561.9984146934 136 1.16756756756757 7342.87035148769 75576.4083137566 137 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1.31781781781782 1712.60218671273 15641.1815408515 156 1.32572572572573 1593.61184650011 14469.2015403092 157 1.33363363363363 1483.51234389727 13391.1857535372 158 1.34154154154154 1381.5928445945 12399.1111116831 159 1.34944944944945 1287.20303939104 11485.6809877014 160 1.35735735735736 1199.74767917325 10644.2557116053 161 1.36526526526527 1118.6816311881 9868.79008302924 162 1.37317317317317 1043.50540425965 9153.77714148636 163 1.38108108108108 973.761096114956 8494.19753654011 164 1.38898898898899 909.028720894963 7885.47391248461 165 1.3968968968969 848.92287929745 7323.4297861936 166 1.4048048048048 793.089737692459 6804.25245353759 167 1.41271271271271 741.204286022072 6324.45951006195 168 1.42062062062062 692.967847392722 5880.8686162259 169 1.42852852852853 648.105815032151 5470.57017709412 170 1.43643643643644 606.365594751812 5090.90264153577 171 1.44434434434434 567.514733261916 4739.43015723763 172 1.45225225225225 531.3392146596 4413.92234563165 173 1.46016016016016 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7.77067067067067 -0.000240888566842062 -0.00018524547818333 972 7.77857857857858 -0.000239428830156356 -0.000183940309483813 973 7.78648648648649 -0.000237979373233472 -0.000182645593399105 974 7.79439439439439 -0.000236540113785279 -0.000181361236459083 975 7.8023023023023 -0.000235110970259161 -0.000180087146112674 976 7.81021021021021 -0.000233691861830784 -0.000178823230718063 977 7.81811811811812 -0.000232282708396946 -0.000177569399533003 978 7.82602602602603 -0.000230883430568503 -0.000176325562705249 979 7.83393393393393 -0.000229493949663364 -0.000175091631263084 980 7.84184184184184 -0.000228114187699569 -0.000173867517105971 981 7.84974974974975 -0.000226744067388434 -0.000172653132995291 982 7.85765765765766 -0.000225383512127773 -0.000171448392545207 983 7.86556556556557 -0.000224032445995188 -0.000170253210213614 984 7.87347347347347 -0.000222690793741434 -0.000169067501293202 985 7.88138138138138 -0.000221358480783854 -0.000167891181902622 986 7.88928928928929 -0.000220035433199876 -0.000166724168977737 987 7.8971971971972 -0.000218721577720592 -0.000165566380262992 988 7.9051051051051 -0.000217416841724394 -0.000164417734302871 989 7.91301301301301 -0.00021612115323068 -0.000163278150433444 990 7.92092092092092 -0.00021483444089363 -0.000162147548774027 991 7.92882882882883 -0.000213556633996042 -0.000161025850218922 992 7.93673673673674 -0.000212287662443238 -0.000159912976429254 993 7.94464464464464 -0.000211027456757032 -0.000158808849824902 994 7.95255255255255 -0.000209775948069759 -0.000157713393576521 995 7.96046046046046 -0.000208533068118372 -0.000156626531597648 996 7.96836836836837 -0.000207298749238598 -0.000155548188536908 997 7.97627627627628 -0.000206072924359152 -0.000154478289770294 998 7.98418418418418 -0.00020485552699602 -0.000153416761393547 999 7.99209209209209 -0.000203646491246796 -0.000152363530214613 1000 8 0 0 # Pair potential lj/cut for atom types 5 5: i,r,energy,force lj_5_5 N 1000 R 0.1 8 1 0.1 4.72597669740627e+16 5.67117204008254e+18 2 0.107907907907908 1.89606099473342e+16 2.10853239564762e+18 3 0.115815815815816 8.11478703211644e+15 8.4079573961342e+17 4 0.123723723723724 3.67329480256031e+15 3.56273933511964e+17 5 0.131631631631632 1.74649923060628e+15 1.59216979755642e+17 6 0.13953953953954 867209738768702 7.45775494375616e+16 7 0.147447447447447 447552995224422 3.64240688242451e+16 8 0.155355355355355 239098485471849 1.84685094493518e+16 9 0.163263263263263 131774049824506 9.6855139555509e+15 10 0.171171171171171 74700601372953.8 5.23690539151321e+15 11 0.179079079079079 43446353565614.6 2.91131859263398e+15 12 0.186986986986987 25867529405986.2 1.66006397208977e+15 13 0.194894894894895 15735697204715.7 968872850099229 14 0.202802802802803 9763468035539.81 577712040462711 15 0.210710710710711 6169531560436.16 351355572415029 16 0.218618618618619 3965023569766.58 217640592847728 17 0.226526526526527 2588586736155.61 137127618892055 18 0.234434434434434 1714883670960.54 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