forked from lijiext/lammps
15076 lines
894 KiB
Plaintext
15076 lines
894 KiB
Plaintext
# Pair potential lj/cut for atom types 1 1: i,r,energy,force
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lj_1_1
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N 1000 R 0.1 8
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1 0.1 4.7683715625e+15 5.72204588671874e+17
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2 0.107907907907908 1.91306980364015e+15 2.12744720595463e+17
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3 0.115815815815816 818758153812917 8.483381846517e+16
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4 0.123723723723724 370624644685218 3.59469925010097e+16
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5 0.131631631631632 176216636146732 1.60645251454931e+16
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6 0.13953953953954 87498911727066.6 7.5246554493731e+15
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7 0.147447447447447 45156780344098.8 3.67508142673229e+15
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8 0.155355355355355 24124333392883.4 1.86341827990272e+15
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9 0.163263263263263 13295613555109.4 977239861928053
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10 0.171171171171171 7537070547533.43 528388341393121
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11 0.179079079079079 4383608943257.5 293743474350791
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12 0.186986986986987 2609957353176.83 167495564715195
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13 0.194894894894895 1587685337537.87 97756414805415
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14 0.202802802802803 985105023439.824 58289440788166.5
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15 0.210710710710711 622487438523.416 35450739907939.8
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16 0.218618618618619 400059094076.823 21959292546299
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17 0.226526526526527 261180688238.07 13835770910410
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18 0.234434434434434 173026636540.21 8856720854201.01
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19 0.242342342342342 116203207576.026 5754005081973.22
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20 0.25025025025025 79045182918.3383 3790376517900.41
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21 0.258158158158158 54417591670.7799 2529501684512.61
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22 0.266066066066066 37887469469.4508 1708785981928.77
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23 0.273973973973974 26659845517.3526 1167696400722.89
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24 0.281881881881882 18947994576.6846 806636336486.644
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25 0.28978978978979 13594776730.5322 562951230117.615
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26 0.297697697697698 9841541798.19788 396706695576.248
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27 0.305605605605606 7185100531.85252 282132751009.384
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28 0.313513513513514 5288021593.73702 202403978768.903
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29 0.321421421421421 3921663457.88068 146412356593.302
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30 0.329329329329329 2929563424.77724 106746802731.111
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31 0.337237237237237 2203642812.42107 78413029447.1573
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32 0.345145145145145 1668575478.1314 58013202101.0793
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33 0.353053053053053 1271413998.50934 43214549094.447
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34 0.360960960960961 974638014.489749 32401590254.2695
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35 0.368868868868869 751452549.748062 24446294819.2204
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36 0.376776776776777 582579882.335486 18554751726.9931
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37 0.384684684684685 454051977.531968 14163963654.5593
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38 0.392592592592593 355679114.799935 10871782769.035
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39 0.4005005005005 279979344.255808 8388954628.63723
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40 0.408408408408408 221424533.157439 6506035615.81756
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41 0.416316316316316 175905591.154429 5070398443.00919
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42 0.424224224224224 140350560.907373 3970133575.40663
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43 0.432132132132132 112450083.468607 3122699974.22203
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44 0.44004004004004 90458801.508926 2466870421.43271
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45 0.447947947947948 73050821.1235809 1956978176.68385
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46 0.455855855855856 59213900.7343495 1558781923.86649
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47 0.463763763763764 48171553.132633 1246476032.71774
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48 0.471671671671672 39325384.7454088 1000516434.96982
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49 0.47957957957958 32212190.3203824 806030807.649113
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50 0.487487487487487 26471865.071865 651649777.172213
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51 0.495395395395395 21823289.2677065 528643184.320127
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52 0.503303303303303 18046118.533895 430278582.40391
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53 0.511211211211211 14966970.5509314 351342475.169791
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54 0.519119119119119 12448900.2132394 287781329.988136
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55 0.527027027027027 10383345.9224671 236431175.969894
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56 0.534934934934935 8683941.15767834 194813029.214066
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57 0.542842842842843 7281740.12553267 160977458.49267
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58 0.550750750750751 6121519.95237291 133385997.885638
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59 0.558658658658659 5158905.79978787 110820307.60639
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60 0.566566566566567 4358127.52936926 92312318.5787716
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61 0.574474474474475 3690262.9136975 77090309.8865711
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62 0.582382382382382 3131857.08506257 64537131.7665991
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63 0.59029029029029 2663833.97962174 54157722.616009
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64 0.598198198198198 2270635.19772175 45553764.4973724
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65 0.606106106106106 1939536.59229768 38403841.434083
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66 0.614014014014014 1660104.21780749 32447854.5630435
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67 0.621921921921922 1423759.91028856 27474741.6237778
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68 0.62982982982983 1223433.38431815 23312769.9770402
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69 0.637737737737738 1053282.81653566 19821840.5026571
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70 0.645645645645646 908469.805840438 16887367.7232474
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71 0.653553553553553 784977.633775452 14415399.271213
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72 0.661461461461461 679464.103307017 12328712.7546324
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73 0.669369369369369 589142.06787952 10563685.7073452
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74 0.677277277277277 511682.19497681 9067778.77168286
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75 0.685185185185185 445133.630675098 7797506.67607267
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76 0.693093093093093 387859.113555471 6716798.28798504
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77 0.701001001001001 338481.781337121 5795667.82903127
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78 0.708908908908909 295841.462841431 5009135.58941868
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79 0.716816816816817 258958.68315741 4336349.20765011
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80 0.724724724724725 227004.955732786 3759866.57962482
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81 0.732632632632633 199278.210647615 3265069.33647667
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82 0.740540540540541 175182.428399209 2839682.05009548
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83 0.748448448448448 154210.724742198 2473377.2502881
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84 0.756356356356356 135931.273571328 2157450.24744893
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85 0.764264264264264 119975.56864031 1884550.86645992
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86 0.772172172172172 106028.616692856 1648461.68032085
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87 0.78008008008008 93820.7287734827 1443914.31766366
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88 0.787987987987988 83120.6365920669 1266437.0101157
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89 0.795895895895896 73729.709618557 1112227.82450872
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90 0.803803803803804 65477.0882938859 978049.054966574
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91 0.811711711711712 58215.5811223496 861139.081256272
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92 0.81961961961962 51818.1998671935 759138.672233474
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93 0.827527527527528 46175.228732096 670029.258286481
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94 0.835435435435435 41191.7411810631 592081.13942874
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95 0.843343343343343 36785.4926553132 523809.956054305
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96 0.851251251251251 32885.1294742206 463940.04326968
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97 0.859159159159159 29428.6641317007 411373.529878925
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98 0.867067067067067 26362.1754026781 365164.239729889
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99 0.874974974974975 23638.6984671487 324495.61442312
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100 0.882882882882883 21217.2758942541 288662.008937413
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101 0.890790790790791 19062.1450112306 257052.820857068
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102 0.898698698698699 17142.0410796926 229139.003894517
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103 0.906606606606607 15429.5989514307 204461.590769304
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104 0.914514514514514 13900.838589891 182621.912054221
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105 0.922422422422422 12534.7221137217 163273.248627132
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106 0.93033033033033 11312.771920792 146113.697741755
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107 0.938238238238238 10218.7410471034 130880.067977207
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108 0.946146146146146 9238.32825630316 117342.647690511
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109 0.954054054054054 8358.93148441323 105300.716098839
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110 0.961961961961962 7569.43421594764 94578.6865955852
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111 0.96986986986987 6860.02017082306 85022.7890437927
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112 0.977777777777778 6222.0123604606 76498.2121575715
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113 0.985685685685686 5647.73314625485 68886.6391430934
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114 0.993593593593594 5130.38242081341 62084.1199103839
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115 1.0015015015015 4663.93144594303 55999.2317036472
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116 1.00940940940941 4243.03023288003 50551.4871947978
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117 1.01731731731732 3862.92664943471 45669.9551608001
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118 1.02522522522523 3519.39569366722 41292.0640019082
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119 1.03313313313313 3208.67759124919 37362.5627059964
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120 1.04104104104104 2927.42355951247 33832.6175497226
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121 1.04894894894895 2672.64824015717 30659.0259552697
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122 1.05685685685686 2441.6879387355 27803.5315795878
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123 1.06476476476476 2232.16392576377 25232.2269748114
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124 1.07267267267267 2041.95015452593 22915.0320853445
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125 1.08058058058058 1869.14483675823 20825.2384905988
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126 1.08848848848849 1712.04539150801 18939.1107058518
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127 1.0963963963964 1569.12634629231 17235.5370536542
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128 1.1043043043043 1439.01982472689 15695.7236453425
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129 1.11221221221221 1320.49830231528 14302.9258924122
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130 1.12012012012012 1212.45935315398 13042.2127226507
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131 1.12802802802803 1113.9121458369 11900.2593244969
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132 1.13593593593594 1023.96547761006 10865.1648007441
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133 1.14384384384384 941.817162499803 9926.29159269546
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134 1.15175175175175 866.744612284194 9074.12394946681
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135 1.15965965965966 798.09646928386 8300.14307388335
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136 1.16756756756757 735.285167430764 7596.71688444458
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137 1.17547547547548 677.780313289961 6957.00259908126
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138 1.18338338338338 625.102791965512 6374.86057678246
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139 1.19129129129129 576.819514381415 5844.77805267461
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140 1.1991991991992 532.538732518127 5361.80157508703
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141 1.20710710710711 491.905857999777 4921.47710321602
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142 1.21501501501502 454.599727134937 4519.79685435551
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143 1.22292292292292 420.32926225969 4153.15210299118
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144 1.23083083083083 388.830485140886 3818.29123267374
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145 1.23873873873874 359.863843378424 3512.28242748415
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146 1.24664664664665 333.211815291552 3232.48046478641
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147 1.25455455455455 308.676762766838 2976.49713630324
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148 1.26246246246246 286.079005054968 2742.17488161343
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149 1.27037037037037 265.255089590749 2527.56326804694
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150 1.27827827827828 246.056238628881 2330.89799458925
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151 1.28618618618619 228.346952883025 2150.58213561174
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152 1.29409409409409 212.003755467768 1985.16937372485
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153 1.302002002002 196.914061306931 1833.34900041372
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154 1.30990990990991 182.975158817944 1693.9324888888
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155 1.31781781781782 170.093292137078 1565.8414662248
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156 1.32572572572573 158.182833437402 1448.09693176517
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157 1.33363363363363 147.165536030755 1339.80958628249
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158 1.34154154154154 136.969859954323 1240.17115180505
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159 1.34944944944945 127.530362637222 1148.44657560853
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160 1.35735735735736 118.787148036332 1063.96702385468
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161 1.36526526526527 110.68536833536 986.123580934458
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162 1.37317317317317 103.174772927258 914.361579912855
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163 1.38108108108108 96.2092999567372 848.175497727893
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164 1.38898898898899 89.7467061948461 787.104356097047
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165 1.3968968968969 83.748231458446 730.72757554691
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166 1.4048048048048 78.1782941801621 678.661235705409
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167 1.41271271271271 73.0042150844877 630.554700069085
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168 1.42062062062062 68.1959662380379 586.087567957555
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169 1.42852852852853 63.7259430207067 544.966920360868
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170 1.43643643643644 59.5687568134692 506.924829932435
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171 1.44434434434434 55.7010464211035 471.716108532483
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172 1.45225225225225 52.1013064471192 439.116268530475
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173 1.46016016016016 48.7497310162589 408.919676569688
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174 1.46806806806807 45.6280713994048 380.937880718704
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175 1.47597597597598 42.7195062385902 354.998093914139
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176 1.48388388388388 40.0085231978916 330.941818363823
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177 1.49179179179179 37.4808109808707 308.623597154313
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178 1.4996996996997 35.1231607583558 287.909880712325
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179 1.50760760760761 32.9233761429539 268.677997025284
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180 1.51551551551552 30.8701909299112 250.815215648519
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181 1.52342342342342 28.9531938987476 234.217896530321
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182 1.53133133133133 27.162760037408 218.790715584254
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183 1.53923923923924 25.4899876112501 204.445959742336
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184 1.54714714714715 23.9266405537526 191.102884943172
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185 1.55505505505506 22.4650957049906 178.687131155002
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186 1.56296296296296 21.0982944682524 167.130189112897
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187 1.57087087087087 19.8196984951513 156.368913969192
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188 1.57877877877878 18.6232490456773 146.345081523068
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189 1.58668668668669 17.5033297022166 137.004983114518
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190 1.59459459459459 16.4547321460073 128.29905564497
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191 1.6025025025025 15.4726247311132 120.181543525824
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192 1.61041041041041 14.552523615064 112.610189661302
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193 1.61831831831832 13.6902662270888 105.545952846686
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194 1.62622622622623 12.8819868745825 98.9527492104343
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195 1.63413413413413 12.1240943063043 92.7972155517254
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196 1.64204204204204 11.413251066986 87.0484926260394
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197 1.64994994994995 10.7463544926989 81.6780266128288
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198 1.65785785785786 10.1205192096346 76.6593871631015
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199 1.66576576576577 9.53306101103064 71.968100572622
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200 1.67367367367367 8.98148199793265 67.5814967600722
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201 1.68158158158158 8.46345687944719 63.4785688503139
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202 1.68948948948949 7.97682033718343 59.6398442721301
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203 1.6973973973974 7.51955536681328 56.0472663786953
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204 1.70530530530531 7.08978251715995 52.6840856885002
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205 1.71321321321321 6.68574995403528 49.534759925511
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206 1.72112112112112 6.30582428224547 46.5848621107912
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207 1.72902902902903 5.94848206482945 43.8209960243771
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208 1.73693693693694 5.61230198373985 41.2307184165943
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209 1.74484484484485 5.29595759086464 38.8024674027792
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210 1.75275275275275 4.99821060256439 36.5254965251087
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211 1.76066066066066 4.71790469480147 34.3898140104079
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212 1.76856856856857 4.45395975949801 32.3861267938386
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213 1.77647647647648 4.20536658601126 30.5057889156777
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214 1.78438438438438 3.97118193458427 28.7407539323064
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215 1.79229229229229 3.75052397134463 27.0835310133965
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216 1.8002002002002 3.54256803690452 25.5271444253583
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217 1.80810810810811 3.34654272288462 24.0650961266877
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218 1.81601601601602 3.16172623276097 22.6913312241429
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219 1.82392392392392 2.98744300533339 21.4002060599027
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220 1.83183183183183 2.82306058085451 20.1864587192121
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221 1.83973973973974 2.6679866914522 19.0451817656638
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222 1.84764764764765 2.52166655893814 17.9717970273661
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223 1.85555555555556 2.38358038443452 16.9620322719416
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224 1.86346346346346 2.25324101547833 16.0118996217201
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225 1.87137137137137 2.13019177738882 15.1176755727441
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226 1.87927927927928 2.01400445671732 14.2758824924064
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227 1.88718718718719 1.90427742554759 13.4832714807764
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228 1.8950950950951 1.80063389628606 12.7368064900356
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229 1.903003003003 1.70272029738184 12.0336496050076
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230 1.91091091091091 1.61020476115241 11.3711473956081
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231 1.91881881881882 1.52277571556686 10.7468182592154
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232 1.92672672672673 1.44014057246111 10.1583406775372
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233 1.93463463463463 1.3620245052313 9.60354231856915
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234 1.94254254254254 1.28816930957869 9.08038991976266
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235 1.95045045045045 1.2183323413641 8.58697989357758
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236 1.95835835835836 1.15228552607648 8.12152960123875
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237 1.96626626626627 1.08981443483145 7.68236924477223
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238 1.97417417417417 1.03071742219532 7.26793433130764
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239 1.98208208208208 0.974804821478608 6.87675866721918
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240 1.98998998998999 0.921898193466491 6.50746784297632
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241 1.9978978978979 0.871829624849978 6.15877317260197
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242 2.00580580580581 0.824441072896494 5.82946605441954
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243 2.01371371371371 0.779583753151533 5.5184127223295
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244 2.02162162162162 0.737117567196959 5.22454935920949
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245 2.02952952952953 0.696910567707362 4.94687754619631
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246 2.03743743743744 0.658838458245572 4.68446002360227
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247 2.04534534534535 0.622784125422675 4.43641674105145
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248 2.05325325325325 0.588637201218447 4.20192117611128
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249 2.06116116116116 0.556293653415731 3.98019690225118
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250 2.06906906906907 0.52565540224815 3.77051438839368
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251 2.07697697697698 0.496629961495449 3.57218801364543
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252 2.08488488488489 0.469130102385696 3.38457328201428
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253 2.09279279279279 0.44307353877925 3.20706422304312
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254 2.1007007007007 0.418382632216395 3.03909096532767
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255 2.10860860860861 0.394984115509918 2.88011747084344
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|
|
934 7.47807807807808 -0.000111527854646833 -8.9358739780506e-05
|
|
935 7.48598598598599 -0.000110823815774624 -8.8701634098718e-05
|
|
936 7.49389389389389 -0.000110124951419582 -8.80500367633263e-05
|
|
937 7.5018018018018 -0.000109431218227306 -8.74038959940347e-05
|
|
938 7.50970970970971 -0.000108742573250733 -8.67631605491678e-05
|
|
939 7.51761761761762 -0.000108058973945907 -8.61277797195395e-05
|
|
940 7.52552552552553 -0.000107380378167788 -8.54977033223995e-05
|
|
941 7.53343343343343 -0.000106706744166117 -8.48728816954516e-05
|
|
942 7.54134134134134 -0.000106038030581319 -8.42532656909472e-05
|
|
943 7.54924924924925 -0.000105374196440462 -8.36388066698522e-05
|
|
944 7.55715715715716 -0.000104715201153253 -8.30294564960833e-05
|
|
945 7.56506506506507 -0.000104061004508086 -8.24251675308171e-05
|
|
946 7.57297297297297 -0.000103411566668129 -8.1825892626868e-05
|
|
947 7.58088088088088 -0.000102766848167462 -8.12315851231349e-05
|
|
948 7.58878878878879 -0.000102126809907252 -8.0642198839117e-05
|
|
949 7.5966966966967 -0.000101491413151975 -8.00576880694948e-05
|
|
950 7.6046046046046 -0.000100860619525679 -7.94780075787793e-05
|
|
951 7.61251251251251 -0.00010023439100829 -7.8903112596025e-05
|
|
952 7.62042042042042 -9.96126899319576e-05 -7.83329588096083e-05
|
|
953 7.62832832832833 -9.89954789774473e-05 -7.7767502362069e-05
|
|
954 7.63623623623624 -9.83827211705642e-05 -7.72066998450149e-05
|
|
955 7.64414414414414 -9.77743798786249e-05 -7.66505082940885e-05
|
|
956 7.65205205205205 -9.71704188069646e-05 -7.60988851839944e-05
|
|
957 7.65995995995996 -9.65708019954848e-05 -7.5551788423587e-05
|
|
958 7.66786786786787 -9.59754938152395e-05 -7.50091763510188e-05
|
|
959 7.67577577577578 -9.53844589650589e-05 -7.44710077289465e-05
|
|
960 7.68368368368368 -9.47976624682116e-05 -7.39372417397953e-05
|
|
961 7.69159159159159 -9.42150696691034e-05 -7.34078379810807e-05
|
|
962 7.6994994994995 -9.36366462300133e-05 -7.28827564607867e-05
|
|
963 7.70740740740741 -9.30623581278658e-05 -7.23619575928003e-05
|
|
964 7.71531531531532 -9.24921716510383e-05 -7.18454021924e-05
|
|
965 7.72322322322322 -9.19260533962053e-05 -7.13330514717997e-05
|
|
966 7.73113113113113 -9.13639702652162e-05 -7.08248670357458e-05
|
|
967 7.73903903903904 -9.08058894620093e-05 -7.03208108771673e-05
|
|
968 7.74694694694695 -9.02517784895584e-05 -6.98208453728782e-05
|
|
969 7.75485485485486 -8.9701605146854e-05 -6.93249332793315e-05
|
|
970 7.76276276276276 -8.91553375259182e-05 -6.88330377284245e-05
|
|
971 7.77067067067067 -8.86129440088518e-05 -6.83451222233532e-05
|
|
972 7.77857857857858 -8.8074393264914e-05 -6.78611506345182e-05
|
|
973 7.78648648648649 -8.75396542476355e-05 -6.7381087195478e-05
|
|
974 7.79439439439439 -8.70086961919617e-05 -6.69048964989511e-05
|
|
975 7.8023023023023 -8.64814886114286e-05 -6.64325434928662e-05
|
|
976 7.81021021021021 -8.59580012953689e-05 -6.59639934764596e-05
|
|
977 7.81811811811812 -8.54382043061496e-05 -6.54992120964182e-05
|
|
978 7.82602602602603 -8.49220679764395e-05 -6.50381653430694e-05
|
|
979 7.83393393393393 -8.44095629065058e-05 -6.4580819546616e-05
|
|
980 7.84184184184184 -8.39006599615426e-05 -6.41271413734158e-05
|
|
981 7.84974974974975 -8.33953302690258e-05 -6.36770978223056e-05
|
|
982 7.85765765765766 -8.28935452160989e-05 -6.32306562209681e-05
|
|
983 7.86556556556557 -8.23952764469869e-05 -6.27877842223431e-05
|
|
984 7.87347347347347 -8.19004958604378e-05 -6.23484498010801e-05
|
|
985 7.88138138138138 -8.14091756071927e-05 -6.19126212500337e-05
|
|
986 7.88928928928929 -8.09212880874834e-05 -6.14802671767996e-05
|
|
987 7.8971971971972 -8.04368059485563e-05 -6.1051356500292e-05
|
|
988 7.9051051051051 -7.99557020822248e-05 -6.06258584473621e-05
|
|
989 7.91301301301301 -7.94779496224467e-05 -6.02037425494544e-05
|
|
990 7.92092092092092 -7.90035219429292e-05 -5.97849786393051e-05
|
|
991 7.92882882882883 -7.85323926547585e-05 -5.93695368476769e-05
|
|
992 7.93673673673674 -7.80645356040565e-05 -5.89573876001339e-05
|
|
993 7.94464464464464 -7.75999248696619e-05 -5.85485016138537e-05
|
|
994 7.95255255255255 -7.71385347608366e-05 -5.81428498944764e-05
|
|
995 7.96046046046046 -7.66803398149969e-05 -5.7740403732992e-05
|
|
996 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 15249937.3731763 542656369.259608
|
|
32 0.345145145145145 11547016.5253893 401478271.046102
|
|
33 0.353053053053053 8798479.68473261 299063596.509074
|
|
34 0.360960960960961 6744664.01836138 224232239.918074
|
|
35 0.368868868868869 5200132.84273518 169177547.7832
|
|
36 0.376776776776777 4031473.39060944 128405181.032418
|
|
37 0.384684684684685 3142019.08844013 98018865.2458626
|
|
38 0.392592592592593 2461251.51893322 75235502.4258281
|
|
39 0.4005005005005 1937391.61019675 58053285.0668003
|
|
40 0.408408408408408 1532181.82357725 45022744.391032
|
|
41 0.416316316316316 1217185.19334919 35087614.34777
|
|
42 0.424224224224224 971142.288225131 27473419.6488735
|
|
43 0.432132132132132 778071.271435978 21608932.0443387
|
|
44 0.44004004004004 625893.496493597 17070427.1329929
|
|
45 0.447947947947948 505433.220653609 13541867.8030824
|
|
46 0.455855855855856 409685.332837421 10786287.2241101
|
|
47 0.463763763763764 333276.256870716 8625098.11245503
|
|
48 0.471671671671672 272064.90804993 6923046.54027102
|
|
49 0.47957957957958 222845.765669955 5577209.49859288
|
|
50 0.487487487487487 183126.808499556 4508906.17348173
|
|
51 0.495395395395395 150962.623992308 3657720.4222582
|
|
52 0.503303303303303 124828.388301648 2977061.23233565
|
|
53 0.511211211211211 103524.271693961 2430849.43238394
|
|
54 0.519119119119119 86102.6018611097 1991033.31629527
|
|
55 0.527027027027027 71812.1287547831 1635717.32433575
|
|
56 0.534934934934935 60055.1980761184 1347746.28426683
|
|
57 0.542842842842843 50354.7108916728 1113629.73089108
|
|
58 0.550750750750751 42328.5334310898 922721.226074885
|
|
59 0.558658658658659 35669.6018933586 766589.710706357
|
|
60 0.566566566566567 30130.3978529714 638536.074906658
|
|
61 0.574474474474475 25510.7907723895 533219.991645245
|
|
62 0.582382382382382 21648.4842318513 446370.803399216
|
|
63 0.59029029029029 18411.482879576 374562.727761995
|
|
64 0.598198198198198 15692.1331838857 315039.464705948
|
|
65 0.606106106106106 13402.3941234412 265576.885570046
|
|
66 0.614014014014014 11470.0722956759 224375.181295251
|
|
67 0.621921921921922 9835.81570360731 189973.878000445
|
|
68 0.62982982982983 8450.70626153248 161184.662369395
|
|
69 0.637737737737738 7274.3262429058 137038.123050737
|
|
70 0.645645645645646 6273.20102502428 116741.400076766
|
|
71 0.653553553553553 5419.54147757147 99644.4109291666
|
|
72 0.661461461461461 4690.22563758729 85212.8404889497
|
|
73 0.669369369369369 4065.97200315344 73006.4809324346
|
|
74 0.677277277277277 3530.6666905174 62661.8153408215
|
|
75 0.685185185185185 3070.81446577804 53877.9769495759
|
|
76 0.693093093093093 2675.08976519131 46405.4008657123
|
|
77 0.701001001001001 2333.96862772853 40036.6290695936
|
|
78 0.708908908908909 2039.42626448751 34598.8419771586
|
|
79 0.716816816816817 1784.68800167613 29947.7779258458
|
|
80 0.724724724724725 1564.02372728193 25962.7711391601
|
|
81 0.732632632632633 1372.57787828644 22542.6932237919
|
|
82 0.740540540540541 1206.22852822213 19602.6262949167
|
|
83 0.748448448448448 1061.47035430545 17071.1299078742
|
|
84 0.756356356356356 935.317242187965 14887.9910321137
|
|
85 0.764264264264264 825.221073912933 13002.3678380925
|
|
86 0.772172172172172 729.003879806754 11371.2552492269
|
|
87 0.78008008008008 644.801048440302 9958.2139521125
|
|
88 0.787987987987988 571.013704729758 8732.31557384081
|
|
89 0.795895895895896 506.268703955701 7667.26558632057
|
|
90 0.803803803803804 449.384964265365 6740.672625479
|
|
91 0.811711711711712 399.345084281673 5933.43866623221
|
|
92 0.81961961961962 355.271375515785 5229.24914747465
|
|
93 0.827527527527528 316.405589167814 4614.14591324236
|
|
94 0.835435435435435 282.091739861719 4076.16889999258
|
|
95 0.843343343343343 251.761529928761 3605.05499363605
|
|
96 0.851251251251251 224.921961085668 3191.9845137046
|
|
97 0.859159159159159 201.144789024826 2829.36744392782
|
|
98 0.867067067067067 180.057533195636 2510.66288913766
|
|
99 0.874974974974975 161.335801058366 2230.2263545294
|
|
100 0.882882882882883 144.696725081354 1983.18036052888
|
|
101 0.890790790790791 129.893343151118 1765.30466166241
|
|
102 0.898698698698699 116.709780032879 1572.94296064725
|
|
103 0.906606606606607 104.957110003908 1402.92352350587
|
|
104 0.914514514514514 94.4697995599944 1252.49152739831
|
|
105 0.922422422422422 85.1026448026594 1119.2513259476
|
|
106 0.93033033033033 76.7281312742939 1001.11711003705
|
|
107 0.938238238238238 69.2341550506922 896.270685937852
|
|
108 0.946146146146146 62.5220531801796 803.125295802667
|
|
109 0.954054054054054 56.5048993688012 720.294575096299
|
|
110 0.961961961961962 51.1060273941994 646.565883217388
|
|
111 0.96986986986987 46.2577502877198 580.87736215145
|
|
112 0.977777777777778 41.9002480216081 522.2981773993
|
|
113 0.985685685685686 37.980600414422 470.011478871467
|
|
114 0.993593593593594 34.4519453383254 423.299689591753
|
|
115 1.0015015015015 31.2727451728778 381.531789113366
|
|
116 1.00940940940941 28.4061468815813 344.152308342611
|
|
117 1.01731731731732 25.819423156921 310.671794500422
|
|
118 1.02522522522523 23.4834838431567 280.658540487374
|
|
119 1.03313313313313 21.3724483508205 253.731402998367
|
|
120 1.04104104104104 19.4632710623547 229.553559229743
|
|
121 1.04894894894895 17.7354128278662 207.827073660653
|
|
122 1.05685685685686 16.1705525916075 188.288164778966
|
|
123 1.06476476476476 14.7523339971758 170.703077267895
|
|
124 1.07267267267267 13.4661425124819 154.864478498119
|
|
125 1.08058058058058 12.298909211175 140.588309538677
|
|
126 1.08848848848849 11.2389378596866 127.711030608009
|
|
127 1.0963963963964 10.2757524004762 116.087209186566
|
|
128 1.1043043043043 9.39996230271201 105.587406116883
|
|
129 1.11221221221221 8.60314358020494 96.096321104982
|
|
130 1.12012012012012 7.87773356037715 87.5111642599225
|
|
131 1.12802802802803 7.21693773369207 79.7402247939381
|
|
132 1.13593593593594 6.61464722570473 72.701611862371
|
|
133 1.14384384384384 6.06536561829924 66.3221458421563
|
|
134 1.15175175175175 5.56414400670403 60.5363812078515
|
|
135 1.15965965965966 5.10652331787398 55.2857446312662
|
|
136 1.16756756756757 4.68848303668408 50.5177740608621
|
|
137 1.17547547547548 4.30639559156305 46.1854463781794
|
|
138 1.18338338338338 3.95698574282509 42.2465828214023
|
|
139 1.19129129129129 3.63729439685698 38.6633227456362
|
|
140 1.1991991991992 3.34464633905267 35.4016574853138
|
|
141 1.20710710710711 3.07662143930578 32.4310171217761
|
|
142 1.21501501501502 2.83102893713682 29.723903860315
|
|
143 1.22292292292292 2.60588446014811 27.255566504462
|
|
144 1.23083083083083 2.39938947033094 25.0037111970645
|
|
145 1.23873873873874 2.20991286854728 22.9482441914877
|
|
146 1.24664664664665 2.03597451891782 21.0710429339064
|
|
147 1.25455455455455 1.87623048243166 19.3557521892939
|
|
148 1.26246246246246 1.72945977333689 17.787602338126
|
|
149 1.27037037037037 1.59455247319681 16.3532473155509
|
|
150 1.27827827827828 1.47049905627086 15.0406199663415
|
|
151 1.28618618618619 1.35638079642093 13.8388028529806
|
|
152 1.29409409409409 1.25136114032895 12.737912785585
|
|
153 1.302002002002 1.1546779446833 11.7289975452769
|
|
154 1.30990990990991 1.06563648635796 10.8039434506893
|
|
155 1.31781781781782 0.983603164655446 9.95539257372255
|
|
156 1.32572572572573 0.907999823569517 9.17666854818084
|
|
157 1.33363363363363 0.838298629889285 8.46171003590304
|
|
158 1.34154154154154 0.774017449933165 7.80501102152334
|
|
159 1.34944944944945 0.71471567387654 7.20156720085605
|
|
160 1.35735735735736 0.659990442115551 6.64682781066801
|
|
161 1.36526526526527 0.609473232972229 6.13665232063778
|
|
162 1.37317317317317 0.562826775366319 5.6672714728035
|
|
163 1.38108108108108 0.519742253919258 5.23525221080462
|
|
164 1.38898898898899 0.479936777371717 4.83746609163474
|
|
165 1.3968968968969 0.443151084236991 4.47106081724101
|
|
166 1.4048048048048 0.409147462320956 4.13343456281988
|
|
167 1.41271271271271 0.377707861153559 3.82221281367851
|
|
168 1.42062062062062 0.348632178530025 3.5352274535909
|
|
169 1.42852852852853 0.321736704281769 3.27049787513991
|
|
170 1.43643643643644 0.296852706113173 3.02621390701544
|
|
171 1.44434434434434 0.273825143874094 2.80072037499095
|
|
172 1.45225225225225 0.252511500009343 2.5925031326446
|
|
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|
825 6.61611611611612 -1.36937002600579e-05 -1.2414240202224e-05
|
|
826 6.62402402402402 -1.3595938731523e-05 -1.23109284923825e-05
|
|
827 6.63193193193193 -1.34989902964567e-05 -1.22085978466984e-05
|
|
828 6.63983983983984 -1.34028472381462e-05 -1.21072378021812e-05
|
|
829 6.64774774774775 -1.33075019221288e-05 -1.20068380195891e-05
|
|
830 6.65565565565566 -1.32129467952196e-05 -1.19073882818224e-05
|
|
831 6.66356356356356 -1.31191743845518e-05 -1.18088784923398e-05
|
|
832 6.67147147147147 -1.30261772966294e-05 -1.1711298673597e-05
|
|
833 6.67937937937938 -1.29339482163929e-05 -1.16146389655073e-05
|
|
834 6.68728728728729 -1.28424799062957e-05 -1.15188896239239e-05
|
|
835 6.6951951951952 -1.27517652053936e-05 -1.14240410191434e-05
|
|
836 6.7031031031031 -1.26617970284456e-05 -1.13300836344302e-05
|
|
837 6.71101101101101 -1.25725683650265e-05 -1.12370080645624e-05
|
|
838 6.71891891891892 -1.24840722786501e-05 -1.11448050143968e-05
|
|
839 6.72682682682683 -1.23963019059051e-05 -1.10534652974552e-05
|
|
840 6.73473473473473 -1.2309250455601e-05 -1.09629798345296e-05
|
|
841 6.74264264264264 -1.22229112079249e-05 -1.08733396523077e-05
|
|
842 6.75055055055055 -1.21372775136102e-05 -1.07845358820162e-05
|
|
843 6.75845845845846 -1.20523427931144e-05 -1.0696559758085e-05
|
|
844 6.76636636636637 -1.1968100535809e-05 -1.06094026168279e-05
|
|
845 6.77427427427427 -1.18845442991784e-05 -1.05230558951435e-05
|
|
846 6.78218218218218 -1.18016677080297e-05 -1.04375111292325e-05
|
|
847 6.79009009009009 -1.17194644537126e-05 -1.03527599533341e-05
|
|
848 6.797997997998 -1.16379282933487e-05 -1.02687940984791e-05
|
|
849 6.80590590590591 -1.15570530490715e-05 -1.01856053912607e-05
|
|
850 6.81381381381381 -1.14768326072749e-05 -1.0103185752622e-05
|
|
851 6.82172172172172 -1.13972609178725e-05 -1.00215271966603e-05
|
|
852 6.82962962962963 -1.13183319935649e-05 -9.94062182944816e-06
|
|
853 6.83753753753754 -1.12400399091175e-05 -9.86046184787038e-06
|
|
854 6.84544544544545 -1.11623788006467e-05 -9.78103953847706e-06
|
|
855 6.85335335335335 -1.10853428649153e-05 -9.70234727635253e-06
|
|
856 6.86126126126126 -1.10089263586368e-05 -9.62437752399975e-06
|
|
857 6.86916916916917 -1.09331235977888e-05 -9.54712283023999e-06
|
|
858 6.87707707707708 -1.08579289569341e-05 -9.47057582912758e-06
|
|
859 6.88498498498499 -1.07833368685513e-05 -9.3947292388796e-06
|
|
860 6.89289289289289 -1.07093418223737e-05 -9.31957586082008e-06
|
|
861 6.9008008008008 -1.06359383647353e-05 -9.24510857833871e-06
|
|
862 6.90870870870871 -1.05631210979271e-05 -9.17132035586366e-06
|
|
863 6.91661661661662 -1.04908846795594e-05 -9.09820423784851e-06
|
|
864 6.92452452452453 -1.04192238219331e-05 -9.02575334777288e-06
|
|
865 6.93243243243243 -1.03481332914189e-05 -8.95396088715668e-06
|
|
866 6.94034034034034 -1.02776079078441e-05 -8.88282013458769e-06
|
|
867 6.94824824824825 -1.02076425438863e-05 -8.8123244447624e-06
|
|
868 6.95615615615616 -1.01382321244761e-05 -8.7424672475399e-06
|
|
869 6.96406406406406 -1.0069371626206e-05 -8.6732420470083e-06
|
|
870 6.97197197197197 -1.00010560767469e-05 -8.6046424205642e-06
|
|
871 6.97987987987988 -9.9332805542725e-06 -8.53666201800418e-06
|
|
872 6.98778778778779 -9.8660401868898e-06 -8.46929456062873e-06
|
|
873 6.9956956956957 -9.79933015207746e-06 -8.40253384035835e-06
|
|
874 7.0036036036036 -9.73314567613066e-06 -8.33637371886133e-06
|
|
875 7.01151151151151 -9.66748203361305e-06 -8.27080812669342e-06
|
|
876 7.01941941941942 -9.60233454681529e-06 -8.20583106244898e-06
|
|
877 7.02732732732733 -9.53769858522032e-06 -8.1414365919235e-06
|
|
878 7.03523523523523 -9.4735695649753e-06 -8.07761884728745e-06
|
|
879 7.04314314314314 -9.40994294836982e-06 -8.01437202627102e-06
|
|
880 7.05105105105105 -9.34681424332077e-06 -7.95169039135997e-06
|
|
881 7.05895895895896 -9.28417900286331e-06 -7.88956826900194e-06
|
|
882 7.06686686686687 -9.22203282464827e-06 -7.82800004882369e-06
|
|
883 7.07477477477477 -9.16037135044547e-06 -7.76698018285846e-06
|
|
884 7.08268268268268 -9.09919026565334e-06 -7.7065031847838e-06
|
|
885 7.09059059059059 -9.03848529881439e-06 -7.64656362916951e-06
|
|
886 7.0984984984985 -8.97825222113659e-06 -7.58715615073548e-06
|
|
887 7.10640640640641 -8.91848684602065e-06 -7.52827544361946e-06
|
|
888 7.11431431431431 -8.85918502859302e-06 -7.46991626065458e-06
|
|
889 7.12222222222222 -8.80034266524448e-06 -7.41207341265623e-06
|
|
890 7.13013013013013 -8.74195569317454e-06 -7.35474176771868e-06
|
|
891 7.13803803803804 -8.68402008994109e-06 -7.29791625052067e-06
|
|
892 7.14594594594595 -8.62653187301577e-06 -7.24159184164043e-06
|
|
893 7.15385385385385 -8.56948709934451e-06 -7.18576357687954e-06
|
|
894 7.16176176176176 -8.51288186491356e-06 -7.13042654659582e-06
|
|
895 7.16966966966967 -8.45671230432062e-06 -7.07557589504493e-06
|
|
896 7.17757757757758 -8.40097459035116e-06 -7.0212068197306e-06
|
|
897 7.18548548548549 -8.34566493355996e-06 -6.96731457076348e-06
|
|
898 7.19339339339339 -8.29077958185758e-06 -6.91389445022833e-06
|
|
899 7.2013013013013 -8.23631482010177e-06 -6.86094181155944e-06
|
|
900 7.20920920920921 -8.18226696969394e-06 -6.80845205892441e-06
|
|
901 7.21711711711712 -8.12863238818033e-06 -6.75642064661575e-06
|
|
902 7.22502502502503 -8.07540746885796e-06 -6.70484307845061e-06
|
|
903 7.23293293293293 -8.02258864038544e-06 -6.65371490717824e-06
|
|
904 7.24084084084084 -7.97017236639824e-06 -6.60303173389516e-06
|
|
905 7.24874874874875 -7.91815514512872e-06 -6.55278920746804e-06
|
|
906 7.25665665665666 -7.86653350903061e-06 -6.50298302396399e-06
|
|
907 7.26456456456456 -7.81530402440793e-06 -6.45360892608821e-06
|
|
908 7.27247247247247 -7.76446329104847e-06 -6.40466270262912e-06
|
|
909 7.28038038038038 -7.71400794186145e-06 -6.35614018791044e-06
|
|
910 7.28828828828829 -7.66393464251964e-06 -6.30803726125057e-06
|
|
911 7.2961961961962 -7.61424009110562e-06 -6.26034984642882e-06
|
|
912 7.3041041041041 -7.56492101776229e-06 -6.21307391115858e-06
|
|
913 7.31201201201201 -7.51597418434753e-06 -6.16620546656736e-06
|
|
914 7.31991991991992 -7.46739638409285e-06 -6.11974056668336e-06
|
|
915 7.32782782782783 -7.41918444126622e-06 -6.07367530792886e-06
|
|
916 7.33573573573574 -7.37133521083875e-06 -6.02800582861993e-06
|
|
917 7.34364364364364 -7.32384557815538e-06 -5.98272830847272e-06
|
|
918 7.35155155155155 -7.27671245860942e-06 -5.93783896811603e-06
|
|
919 7.35945945945946 -7.22993279732091e-06 -5.89333406861006e-06
|
|
920 7.36736736736737 -7.1835035688188e-06 -5.84920991097145e-06
|
|
921 7.37527527527527 -7.13742177672682e-06 -5.80546283570433e-06
|
|
922 7.38318318318318 -7.09168445345302e-06 -5.76208922233733e-06
|
|
923 7.39109109109109 -7.04628865988307e-06 -5.71908548896656e-06
|
|
924 7.398998998999 -7.00123148507693e-06 -5.67644809180442e-06
|
|
925 7.40690690690691 -6.95651004596933e-06 -5.63417352473411e-06
|
|
926 7.41481481481481 -6.91212148707352e-06 -5.59225831886986e-06
|
|
927 7.42272272272272 -6.86806298018859e-06 -5.55069904212267e-06
|
|
928 7.43063063063063 -6.82433172411023e-06 -5.50949229877172e-06
|
|
929 7.43853853853854 -6.78092494434474e-06 -5.46863472904102e-06
|
|
930 7.44644644644645 -6.7378398928265e-06 -5.42812300868159e-06
|
|
931 7.45435435435435 -6.69507384763862e-06 -5.38795384855886e-06
|
|
932 7.46226226226226 -6.6526241127369e-06 -5.34812399424526e-06
|
|
933 7.47017017017017 -6.61048801767692e-06 -5.30863022561804e-06
|
|
934 7.47807807807808 -6.56866291734441e-06 -5.26946935646204e-06
|
|
935 7.48598598598599 -6.52714619168858e-06 -5.23063823407766e-06
|
|
936 7.49389389389389 -6.48593524545867e-06 -5.19213373889354e-06
|
|
937 7.5018018018018 -6.4450275079435e-06 -5.15395278408431e-06
|
|
938 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 -5.82973362845013e-06 -4.58466139759553e-06
|
|
954 7.63623623623624 -5.7936096963175e-06 -4.5515383176519e-06
|
|
955 7.64414414414414 -5.75774661667752e-06 -4.51868840640641e-06
|
|
956 7.65205205205205 -5.72214223936307e-06 -4.48610913258252e-06
|
|
957 7.65995995995996 -5.68679443412103e-06 -4.45379799093068e-06
|
|
958 7.66786786786787 -5.65170109040765e-06 -4.42175250193439e-06
|
|
959 7.67577577577578 -5.61686011718615e-06 -4.38997021151986e-06
|
|
960 7.68368368368368 -5.58226944272669e-06 -4.35844869076925e-06
|
|
961 7.69159159159159 -5.54792701440858e-06 -4.32718553563745e-06
|
|
962 7.6994994994995 -5.51383079852465e-06 -4.29617836667223e-06
|
|
963 7.70740740740741 -5.4799787800879e-06 -4.26542482873802e-06
|
|
964 7.71531531531532 -5.44636896264028e-06 -4.23492259074281e-06
|
|
965 7.72322322322322 -5.41299936806364e-06 -4.20466934536866e-06
|
|
966 7.73113113113113 -5.37986803639272e-06 -4.17466280880524e-06
|
|
967 7.73903903903904 -5.34697302563038e-06 -4.14490072048687e-06
|
|
968 7.74694694694695 -5.31431241156478e-06 -4.11538084283257e-06
|
|
969 7.75485485485486 -5.28188428758859e-06 -4.08610096098936e-06
|
|
970 7.76276276276276 -5.24968676452035e-06 -4.05705888257871e-06
|
|
971 7.77067067067067 -5.21771797042765e-06 -4.02825243744598e-06
|
|
972 7.77857857857858 -5.18597605045244e-06 -3.99967947741302e-06
|
|
973 7.78648648648649 -5.15445916663816e-06 -3.97133787603365e-06
|
|
974 7.79439439439439 -5.12316549775887e-06 -3.94322552835222e-06
|
|
975 7.8023023023023 -5.09209323915024e-06 -3.91534035066496e-06
|
|
976 7.81021021021021 -5.06124060254241e-06 -3.88768028028435e-06
|
|
977 7.81811811811812 -5.03060581589473e-06 -3.86024327530626e-06
|
|
978 7.82602602602603 -5.00018712323237e-06 -3.8330273143799e-06
|
|
979 7.83393393393393 -4.96998278448458e-06 -3.80603039648057e-06
|
|
980 7.84184184184184 -4.93999107532494e-06 -3.77925054068515e-06
|
|
981 7.84974974974975 -4.91021028701322e-06 -3.75268578595026e-06
|
|
982 7.85765765765766 -4.88063872623906e-06 -3.72633419089308e-06
|
|
983 7.86556556556557 -4.85127471496737e-06 -3.70019383357489e-06
|
|
984 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
|
|
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|
|
969 7.75485485485486 -0.000196628160545975 -0.000151757182505778
|
|
970 7.76276276276276 -0.000195432332234756 -0.000150682870620778
|
|
971 7.77067067067067 -0.000194244965190657 -0.000149617218567343
|
|
972 7.77857857857858 -0.000193065991242034 -0.00014856014819784
|
|
973 7.78648648648649 -0.000191895342832145 -0.000147511582143093
|
|
974 7.79439439439439 -0.000190732953013026 -0.000146471443803922
|
|
975 7.8023023023023 -0.000189578755439437 -0.000145439657342793
|
|
976 7.81021021021021 -0.000188432684362868 -0.000144416147675554
|
|
977 7.81811811811812 -0.000187294674625616 -0.000143400840463278
|
|
978 7.82602602602603 -0.000186164661654924 -0.000142393662104194
|
|
979 7.83393393393393 -0.000185042581457183 -0.000141394539725715
|
|
980 7.84184184184184 -0.000183928370612194 -0.00014040340117656
|
|
981 7.84974974974975 -0.000182821966267501 -0.000139420175018964
|
|
982 7.85765765765766 -0.000181723306132773 -0.000138444790520986
|
|
983 7.86556556556557 -0.000180632328474255 -0.000137477177648896
|
|
984 7.87347347347347 -0.000179548972109278 -0.00013651726705966
|
|
985 7.88138138138138 -0.000178473176400824 -0.00013556499009351
|
|
986 7.88928928928929 -0.000177404881252153 -0.000134620278766592
|
|
987 7.8971971971972 -0.000176344027101484 -0.000133683065763714
|
|
988 7.9051051051051 -0.000175290554916743 -0.000132753284431166
|
|
989 7.91301301301301 -0.00017424440619035 -0.000131830868769626
|
|
990 7.92092092092092 -0.000173205522934083 -0.000130915753427155
|
|
991 7.92882882882883 -0.000172173847673974 -0.00013000787369226
|
|
992 7.93673673673674 -0.000171149323445283 -0.00012910716548705
|
|
993 7.94464464464464 -0.000170131893787506 -0.000128213565360464
|
|
994 7.95255255255255 -0.00016912150273945 -0.000127327010481577
|
|
995 7.96046046046046 -0.000168118094834351 -0.000126447438632988
|
|
996 7.96836836836837 -0.000167121615095052 -0.000125574788204275
|
|
997 7.97627627627628 -0.000166132009029224 -0.00012470899818554
|
|
998 7.98418418418418 -0.00016514922262465 -0.000123850008161012
|
|
999 7.99209209209209 -0.000164173202344542 -0.000122997758302732
|
|
1000 8 0 0
|
|
# Pair potential lj/cut for atom types 1 4: i,r,energy,force
|
|
|
|
lj_1_4
|
|
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 0.701001001001001 1142316.32196534 19557010.5935732
|
|
78 0.708908908908909 998429.448191957 16903062.556735
|
|
79 0.716816816816817 873969.931767547 14632909.7791848
|
|
80 0.724724724724725 766142.333520858 12687700.9172102
|
|
81 0.732632632632633 672577.75654978 11018112.0999854
|
|
82 0.740540540540541 591265.12920442 9582724.70510218
|
|
83 0.748448448448448 520494.132105728 8346692.66588845
|
|
84 0.756356356356356 458807.700871661 7280645.305326
|
|
85 0.764264264264264 404962.420207024 6359782.19084795
|
|
86 0.772172172172172 357895.434691381 5563124.88126474
|
|
87 0.78008008008008 316696.751923942 4872897.13671811
|
|
88 0.787987987987988 280586.016485498 4274010.53337906
|
|
89 0.795895895895896 248892.997838588 3753636.74009865
|
|
90 0.803803803803804 221041.169269038 3300851.189595
|
|
91 0.811711711711712 196533.864220716 2906335.6817661
|
|
92 0.81961961961962 174942.585640666 2562129.72557643
|
|
93 0.827527527527528 155897.117036717 2261422.26505935
|
|
94 0.835435435435435 139077.143905891 1998376.92881849
|
|
95 0.843343343343343 124205.143473471 1767985.15829415
|
|
96 0.851251251251251 111040.341267299 1565942.56168761
|
|
97 0.859159159159159 99373.5665370343 1388544.65075687
|
|
98 0.867067067067067 89022.8662063238 1232598.78113893
|
|
99 0.874974974974975 79829.7599653572 1095349.66106527
|
|
100 0.882882882882883 71656.0381237899 974416.240575193
|
|
101 0.890790790790791 64381.0196428629 867738.161544931
|
|
102 0.898698698698699 57899.2009162869 773530.25254404
|
|
103 0.906606606606607 52118.2368342353 690243.803449433
|
|
104 0.914514514514514 46957.2048219623 616533.562419886
|
|
105 0.922422422422422 42345.1102044459 551229.570004152
|
|
106 0.93033033033033 38219.5976660149 493313.088130604
|
|
107 0.938238238238238 34525.8389589963 441896.000650122
|
|
108 0.946146146146146 31215.5715410359 396203.161181389
|
|
109 0.954054054054054 28246.2666297713 355557.246680841
|
|
110 0.961961961961962 25580.4083741754 319365.744251469
|
|
111 0.96986986986987 23184.8685520706 287109.75653423
|
|
112 0.977777777777778 21030.3634943032 258334.359501561
|
|
113 0.985685685685686 19090.9818754259 232640.287166974
|
|
114 0.993593593593594 17343.7736546928 209676.751936683
|
|
115 1.0015015015015 15768.3918466121 189135.238132086
|
|
116 1.00940940940941 14346.7799863746 170744.130495002
|
|
117 1.01731731731732 13062.899164921 154264.059988298
|
|
118 1.02522522522523 11902.4893686343 139483.866535522
|
|
119 1.03313313313313 10852.8605926419 126217.093014048
|
|
120 1.04104104104104 9902.70982378691 114298.937251689
|
|
121 1.04894894894895 9041.96052571592 103583.599330906
|
|
122 1.05685685685686 8261.62171790364 93941.9704737432
|
|
123 1.06476476476476 7553.66413431845 85259.617412007
|
|
124 1.07267267267267 6910.91128556194 77435.0226485459
|
|
125 1.08058058058058 6326.94353891884 70378.0465607894
|
|
126 1.08848848848849 5796.01358079265 64008.5820332731
|
|
127 1.0963963963964 5312.97184138483 58255.3763546776
|
|
128 1.1043043043043 4873.20064720754 53054.9985805907
|
|
129 1.11221221221221 4472.5560273585 48350.9335331188
|
|
130 1.12012012012012 4107.31623805354 44092.7861564378
|
|
131 1.12802802802803 3774.13618978813 40235.5821357428
|
|
132 1.13593593593594 3470.00706531642 36739.1525686599
|
|
133 1.14384384384384 3192.22050663548 33567.5920977502
|
|
134 1.15175175175175 2938.33682726387 30688.7813082585
|
|
135 1.15965965965966 2706.15677394771 28073.9653989893
|
|
136 1.16756756756757 2493.69642091807 25697.3821735491
|
|
137 1.17547547547548 2299.16483116751 23535.9332975645
|
|
138 1.18338338338338 2120.94416394406 21568.8935447503
|
|
139 1.19129129129129 1957.57194666638 19777.6534278688
|
|
140 1.1991991991992 1807.72526350994 18145.4911942033
|
|
141 1.20710710710711 1670.20664265672 16657.3706715628
|
|
142 1.21501501501502 1543.93145020997 15299.7618906868
|
|
143 1.22292292292292 1427.91662153792 14060.4817923208
|
|
144 1.23083083083083 1321.27058075048 12928.5526599948
|
|
145 1.23873873873874 1223.18421649499 11894.0762093803
|
|
146 1.24664664664665 1132.92279759771 10948.1215177724
|
|
147 1.25455455455455 1049.81872555069 10082.6251977231
|
|
148 1.26246246246246 973.265032686051 9290.30241139578
|
|
149 1.27037037037037 902.709545297306 8564.56749051734
|
|
150 1.27827827827828 837.649640139849 7899.46307403992
|
|
151 1.28618618618619 777.627530824425 7289.59680454398
|
|
152 1.29409409409409 722.226027744435 6730.08473738658
|
|
153 1.302002002002 671.064721467681 6216.50071567934
|
|
154 1.30990990990991 623.796545078363 5744.83105114828
|
|
155 1.31781781781782 580.104675865417 5311.43392732594
|
|
156 1.32572572572573 539.699741096621 4913.00300869004
|
|
157 1.33363363363363 502.317296462857 4546.53479845901
|
|
158 1.34154154154154 467.715549183027 4209.29933978896
|
|
159 1.34944944944945 435.673300779679 3898.81390096955
|
|
160 1.35735735735736 405.988087214389 3612.81932565324
|
|
161 1.36526526526527 378.474496450158 3349.25876483844
|
|
162 1.37317317317317 352.962645621133 3106.25853884489
|
|
163 1.38108108108108 329.296801868415 2882.11090537617
|
|
164 1.38898898898899 307.334132571943 2675.25853440154
|
|
165 1.3968968968969 286.943572196264 2484.28051239691
|
|
166 1.4048048048048 268.004794293447 2307.87971779939
|
|
167 1.41271271271271 250.40727838791 2144.87142664964
|
|
168 1.42062062062062 234.04946252195 1994.17302258054
|
|
169 1.42852852852853 218.837973181558 1854.79469878772
|
|
170 1.43643643643644 204.686925162395 1725.8310515869
|
|
171 1.44434434434434 191.517284686841 1606.45347580133
|
|
172 1.45225225225225 179.256289754695 1495.90328168295
|
|
173 1.46016016016016 167.836922311117 1393.48546149039
|
|
174 1.46806806806807 157.197427353606 1298.56304134379
|
|
175 1.47597597597598 147.280874582005 1210.55196065718
|
|
176 1.48388388388388 138.034758627769 1128.91642740503
|
|
177 1.49179179179179 129.41063428655 1053.16470279419
|
|
178 1.4996996996997 121.363783526155 982.845273655825
|
|
179 1.50760760760761 113.85291135455 917.543375110138
|
|
180 1.51551551551552 106.839867913399 856.877829843815
|
|
181 1.52342342342342 100.289394415239 800.49817372791
|
|
182 1.53133133133133 94.1688907695045 748.082040534911
|
|
183 1.53923923923924 88.4482029471519 699.332781228088
|
|
184 1.54714714714715 83.0994283177919 653.977295727752
|
|
185 1.55505505505506 78.0967373591768 611.764057238904
|
|
186 1.56296296296296 73.4162102885265 572.461311179883
|
|
187 1.57087087087087 69.0356873001316 535.855432506135
|
|
188 1.57877877877878 64.934631215495 501.749426798794
|
|
189 1.58668668668669 61.094001462264 469.961561903138
|
|
190 1.59459459459459 57.4961383975944 440.324118174441
|
|
191 1.6025025025025 54.1246570814178 412.682246533008
|
|
192 1.61041041041041 50.9643496863369 386.892924560045
|
|
193 1.61831831831832 48.0010958043859 362.824001793104
|
|
194 1.62622622622623 45.2217799774532 340.353326215105
|
|
195 1.63413413413413 42.6142158384434 319.36794468364
|
|
196 1.64204204204204 40.1670763048875 299.763370726103
|
|
197 1.64994994994995 37.8698293162325 281.44291373855
|
|
198 1.65785785785786 35.7126786509728 264.31706417903
|
|
199 1.66576576576577 33.6865094005483 248.30292984533
|
|
200 1.67367367367367 31.7828377139517 233.323718778147
|
|
201 1.68158158158158 29.9937644606113 219.308264738506
|
|
202 1.68948948948949 28.3119324896633 206.190591576982
|
|
203 1.6973973973974 26.7304871915145 193.909513146053
|
|
204 1.70530530530531 25.2430400928567 182.408265708947
|
|
205 1.71321321321321 23.8436352392896 171.634170072015
|
|
206 1.72112112112112 22.5267181406414 161.538320915561
|
|
207 1.72902902902903 21.2871070731401 152.075301022817
|
|
208 1.73693693693694 20.1199665499607 143.202918310634
|
|
209 1.74484484484485 19.0207827875072 134.881963750386
|
|
210 1.75275275275275 17.9853410092329 127.075988435509
|
|
211 1.76066066066066 17.0097044419744 119.751098204606
|
|
212 1.76856856856857 16.0901948718028 112.875764367558
|
|
213 1.77647647647648 15.223374637374 106.420649208065
|
|
214 1.78438438438438 14.4060299487939 100.358445050522
|
|
215 1.79229229229229 13.6351554291775 94.6637257833539
|
|
216 1.8002002002002 12.9079397844622 89.3128098257555
|
|
217 1.80810810810811 12.2217525147025 84.2836336110977
|
|
218 1.81601601601602 11.5741315870817 79.5556347389491
|
|
219 1.82392392392392 10.9627719972978 75.1096440193006
|
|
220 1.83183183183183 10.3855151518582 70.9277856979344
|
|
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|
|
908 7.27247247247247 -0.000224936203570918 -0.000184972411153498
|
|
909 7.28038038038038 -0.000223478978557687 -0.000183578397486045
|
|
910 7.28828828828829 -0.000222032729945328 -0.000182196335132155
|
|
911 7.2961961961962 -0.000220597363677682 -0.000180826109541607
|
|
912 7.3041041041041 -0.00021917278659965 -0.000179467607373728
|
|
913 7.31201201201201 -0.000217758906447686 -0.000178120716483512
|
|
914 7.31991991991992 -0.000216355631840392 -0.000176785325907899
|
|
915 7.32782782782783 -0.000214962872269229 -0.000175461325852232
|
|
916 7.33573573573574 -0.000213580538089325 -0.000174148607676883
|
|
917 7.34364364364364 -0.0002122085405104 -0.000172847063884031
|
|
918 7.35155155155155 -0.000210846791587785 -0.000171556588104619
|
|
919 7.35945945945946 -0.000209495204213545 -0.000170277075085453
|
|
920 7.36736736736737 -0.00020815369210771 -0.000169008420676477
|
|
921 7.37527527527527 -0.000206822169809597 -0.00016775052181819
|
|
922 7.38318318318318 -0.000205500552669239 -0.000166503276529224
|
|
923 7.39109109109109 -0.000204188756838903 -0.000165266583894077
|
|
924 7.398998998999 -0.000202886699264713 -0.000164040344050983
|
|
925 7.40690690690691 -0.000201594297678367 -0.000162824458179949
|
|
926 7.41481481481481 -0.000200311470588938 -0.000161618828490919
|
|
927 7.42272272272272 -0.000199038137274782 -0.000160423358212099
|
|
928 7.43063063063063 -0.000197774217775529 -0.000159237951578412
|
|
929 7.43853853853854 -0.000196519632884167 -0.0001580625138201
|
|
930 7.44644644644645 -0.000195274304139217 -0.000156896951151465
|
|
931 7.45435435435435 -0.000194038153816995 -0.000155741170759743
|
|
932 7.46226226226226 -0.000192811104923959 -0.000154595080794117
|
|
933 7.47017017017017 -0.00019159308118915 -0.00015345859035486
|
|
934 7.47807807807808 -0.000190384007056707 -0.000152331609482615
|
|
935 7.48598598598599 -0.000189183807678479 -0.000151214049147799
|
|
936 7.49389389389389 -0.00018799240890671 -0.00015010582124014
|
|
937 7.5018018018018 -0.000186809737286811 -0.000149006838558338
|
|
938 7.50970970970971 -0.000185635720050212 -0.000147917014799853
|
|
939 7.51761761761762 -0.000184470285107296 -0.000146836264550814
|
|
940 7.52552552552553 -0.00018331336104041 -0.000145764503276053
|
|
941 7.53343343343343 -0.000182164877096955 -0.000144701647309257
|
|
942 7.54134134134134 -0.000181024763182555 -0.000143647613843239
|
|
943 7.54924924924925 -0.000179892949854299 -0.00014260232092033
|
|
944 7.55715715715716 -0.000178769368314064 -0.000141565687422879
|
|
945 7.56506506506507 -0.000177653950401906 -0.000140537633063874
|
|
946 7.57297297297297 -0.00017654662858953 -0.000139518078377676
|
|
947 7.58088088088088 -0.00017544733597383 -0.000138506944710858
|
|
948 7.58878878878879 -0.000174356006270504 -0.000137504154213161
|
|
949 7.5966966966967 -0.000173272573807734 -0.000136509629828554
|
|
950 7.6046046046046 -0.000172196973519945 -0.000135523295286404
|
|
951 7.61251251251251 -0.000171129140941626 -0.00013454507509275
|
|
952 7.62042042042042 -0.000170069012201222 -0.00013357489452168
|
|
953 7.62832832832833 -0.000169016524015095 -0.000132612679606818
|
|
954 7.63623623623624 -0.000167971613681552 -0.000131658357132902
|
|
955 7.64414414414414 -0.000166934219074936 -0.000130711854627473
|
|
956 7.65205205205205 -0.000165904278639786 -0.000129773100352657
|
|
957 7.65995995995996 -0.00016488173138506 -0.000128842023297044
|
|
958 7.66786786786787 -0.000163866516878421 -0.000127918553167672
|
|
959 7.67577577577578 -0.000162858575240589 -0.000127002620382095
|
|
960 7.68368368368368 -0.000161857847139751 -0.000126094156060556
|
|
961 7.69159159159159 -0.000160864273786036 -0.000125193092018242
|
|
962 7.6994994994995 -0.00015987779692605 -0.000124299360757643
|
|
963 7.70740740740741 -0.000158898358837471 -0.000123412895460994
|
|
964 7.71531531531532 -0.0001579259023237 -0.000122533629982808
|
|
965 7.72322322322322 -0.000156960370708581 -0.000121661498842495
|
|
966 7.73113113113113 -0.000156001707831164 -0.000120796437217076
|
|
967 7.73903903903904 -0.000155049858040539 -0.000119938380933977
|
|
968 7.74694694694695 -0.000154104766190715 -0.000119087266463906
|
|
969 7.75485485485486 -0.00015316637763557 -0.000118243030913822
|
|
970 7.76276276276276 -0.000152234638223837 -0.000117405612019983
|
|
971 7.77067067067067 -0.000151309494294161 -0.00011657494814107
|
|
972 7.77857857857858 -0.000150390892670202 -0.000115750978251404
|
|
973 7.78648648648649 -0.000149478780655795 -0.000114933641934231
|
|
974 7.79439439439439 -0.000148573106030158 -0.000114122879375097
|
|
975 7.8023023023023 -0.000147673817043154 -0.000113318631355291
|
|
976 7.81021021021021 -0.000146780862410613 -0.00011252083924537
|
|
977 7.81811811811812 -0.000145894191309688 -0.000111729444998761
|
|
978 7.82602602602603 -0.000145013753374277 -0.000110944391145435
|
|
979 7.83393393393393 -0.000144139498690487 -0.000110165620785656
|
|
980 7.84184184184184 -0.000143271377792148 -0.000109393077583804
|
|
981 7.84974974974975 -0.000142409341656376 -0.000108626705762272
|
|
982 7.85765765765766 -0.000141553341699185 -0.000107866450095427
|
|
983 7.86556556556557 -0.000140703329771146 -0.000107112255903651
|
|
984 7.87347347347347 -0.000139859258153091 -0.000106364069047446
|
|
985 7.88138138138138 -0.000139021079551867 -0.000105621835921609
|
|
986 7.88928928928929 -0.000138188747096131 -0.000104885503449472
|
|
987 7.8971971971972 -0.000137362214332195 -0.000104155019077217
|
|
988 7.9051051051051 -0.000136541435219913 -0.000103430330768248
|
|
989 7.91301301301301 -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 0.701001001001001 1142316.32196534 19557010.5935732
|
|
78 0.708908908908909 998429.448191957 16903062.556735
|
|
79 0.716816816816817 873969.931767547 14632909.7791848
|
|
80 0.724724724724725 766142.333520858 12687700.9172102
|
|
81 0.732632632632633 672577.75654978 11018112.0999854
|
|
82 0.740540540540541 591265.12920442 9582724.70510218
|
|
83 0.748448448448448 520494.132105728 8346692.66588845
|
|
84 0.756356356356356 458807.700871661 7280645.305326
|
|
85 0.764264264264264 404962.420207024 6359782.19084795
|
|
86 0.772172172172172 357895.434691381 5563124.88126474
|
|
87 0.78008008008008 316696.751923942 4872897.13671811
|
|
88 0.787987987987988 280586.016485498 4274010.53337906
|
|
89 0.795895895895896 248892.997838588 3753636.74009865
|
|
90 0.803803803803804 221041.169269038 3300851.189595
|
|
91 0.811711711711712 196533.864220716 2906335.6817661
|
|
92 0.81961961961962 174942.585640666 2562129.72557643
|
|
93 0.827527527527528 155897.117036717 2261422.26505935
|
|
94 0.835435435435435 139077.143905891 1998376.92881849
|
|
95 0.843343343343343 124205.143473471 1767985.15829415
|
|
96 0.851251251251251 111040.341267299 1565942.56168761
|
|
97 0.859159159159159 99373.5665370343 1388544.65075687
|
|
98 0.867067067067067 89022.8662063238 1232598.78113893
|
|
99 0.874974974974975 79829.7599653572 1095349.66106527
|
|
100 0.882882882882883 71656.0381237899 974416.240575193
|
|
101 0.890790790790791 64381.0196428629 867738.161544931
|
|
102 0.898698698698699 57899.2009162869 773530.25254404
|
|
103 0.906606606606607 52118.2368342353 690243.803449433
|
|
104 0.914514514514514 46957.2048219623 616533.562419886
|
|
105 0.922422422422422 42345.1102044459 551229.570004152
|
|
106 0.93033033033033 38219.5976660149 493313.088130604
|
|
107 0.938238238238238 34525.8389589963 441896.000650122
|
|
108 0.946146146146146 31215.5715410359 396203.161181389
|
|
109 0.954054054054054 28246.2666297713 355557.246680841
|
|
110 0.961961961961962 25580.4083741754 319365.744251469
|
|
111 0.96986986986987 23184.8685520706 287109.75653423
|
|
112 0.977777777777778 21030.3634943032 258334.359501561
|
|
113 0.985685685685686 19090.9818754259 232640.287166974
|
|
114 0.993593593593594 17343.7736546928 209676.751936683
|
|
115 1.0015015015015 15768.3918466121 189135.238132086
|
|
116 1.00940940940941 14346.7799863746 170744.130495002
|
|
117 1.01731731731732 13062.899164921 154264.059988298
|
|
118 1.02522522522523 11902.4893686343 139483.866535522
|
|
119 1.03313313313313 10852.8605926419 126217.093014048
|
|
120 1.04104104104104 9902.70982378691 114298.937251689
|
|
121 1.04894894894895 9041.96052571592 103583.599330906
|
|
122 1.05685685685686 8261.62171790364 93941.9704737432
|
|
123 1.06476476476476 7553.66413431845 85259.617412007
|
|
124 1.07267267267267 6910.91128556194 77435.0226485459
|
|
125 1.08058058058058 6326.94353891884 70378.0465607894
|
|
126 1.08848848848849 5796.01358079265 64008.5820332731
|
|
127 1.0963963963964 5312.97184138483 58255.3763546776
|
|
128 1.1043043043043 4873.20064720754 53054.9985805907
|
|
129 1.11221221221221 4472.5560273585 48350.9335331188
|
|
130 1.12012012012012 4107.31623805354 44092.7861564378
|
|
131 1.12802802802803 3774.13618978813 40235.5821357428
|
|
132 1.13593593593594 3470.00706531642 36739.1525686599
|
|
133 1.14384384384384 3192.22050663548 33567.5920977502
|
|
134 1.15175175175175 2938.33682726387 30688.7813082585
|
|
135 1.15965965965966 2706.15677394771 28073.9653989893
|
|
136 1.16756756756757 2493.69642091807 25697.3821735491
|
|
137 1.17547547547548 2299.16483116751 23535.9332975645
|
|
138 1.18338338338338 2120.94416394406 21568.8935447503
|
|
139 1.19129129129129 1957.57194666638 19777.6534278688
|
|
140 1.1991991991992 1807.72526350994 18145.4911942033
|
|
141 1.20710710710711 1670.20664265672 16657.3706715628
|
|
142 1.21501501501502 1543.93145020997 15299.7618906868
|
|
143 1.22292292292292 1427.91662153792 14060.4817923208
|
|
144 1.23083083083083 1321.27058075048 12928.5526599948
|
|
145 1.23873873873874 1223.18421649499 11894.0762093803
|
|
146 1.24664664664665 1132.92279759771 10948.1215177724
|
|
147 1.25455455455455 1049.81872555069 10082.6251977231
|
|
148 1.26246246246246 973.265032686051 9290.30241139578
|
|
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|
|
848 6.797997997998 -0.000336633148897703 -0.00029565886711564
|
|
849 6.80590590590591 -0.000334304515753825 -0.000293282616338756
|
|
850 6.81381381381381 -0.000331994587895653 -0.000290928050288565
|
|
851 6.82172172172172 -0.000329703194716251 -0.000288594948362287
|
|
852 6.82962962962963 -0.000327430167343435 -0.000286283092419017
|
|
853 6.83753753753754 -0.000325175338620424 -0.00028399226675005
|
|
854 6.84544544544545 -0.000322938543086719 -0.000281722258049584
|
|
855 6.85335335335335 -0.000320719616959221 -0.000279472855385794
|
|
856 6.86126126126126 -0.000318518398113568 -0.000277243850172289
|
|
857 6.86916916916917 -0.000316334726065696 -0.00027503503613992
|
|
858 6.87707707707708 -0.000314168441953632 -0.000272846209308954
|
|
859 6.88498498498499 -0.000312019388519491 -0.000270677167961608
|
|
860 6.89289289289289 -0.000309887410091702 -0.000268527712614923
|
|
861 6.9008008008008 -0.000307772352567437 -0.000266397645993995
|
|
862 6.90870870870871 -0.000305674063395258 -0.000264286773005539
|
|
863 6.91661661661662 -0.000303592391557964 -0.000262194900711796
|
|
864 6.92452452452453 -0.000301527187555655 -0.000260121838304769
|
|
865 6.93243243243243 -0.000299478303388981 -0.000258067397080785
|
|
866 6.94034034034034 -0.000297445592542608 -0.000256031390415386
|
|
867 6.94824824824825 -0.000295428909968872 -0.000254013633738535
|
|
868 6.95615615615616 -0.00029342811207163 -0.00025201394451014
|
|
869 6.96406406406406 -0.0002914430566903 -0.000250032142195884
|
|
870 6.97197197197197 -0.0002894736030841 -0.00024806804824337
|
|
871 6.97987987987988 -0.000287519611916463 -0.000246121486058559
|
|
872 6.98778778778779 -0.000285580945239645 -0.000244192280982513
|
|
873 6.9956956956957 -0.000283657466479515 -0.00024228026026843
|
|
874 7.0036036036036 -0.00028174904042052 -0.000240385253058973
|
|
875 7.01151151151151 -0.000279855533190835 -0.00023850709036388
|
|
876 7.01941941941942 -0.000277976812247686 -0.000236645605037866
|
|
877 7.02732732732733 -0.000276112746362843 -0.00023480063175879
|
|
878 7.03523523523523 -0.000274263205608294 -0.000232972007006117
|
|
879 7.04314314314314 -0.000272428061342077 -0.000231159569039633
|
|
880 7.05105105105105 -0.000270607186194286 -0.00022936315787844
|
|
881 7.05895895895896 -0.000268800454053243 -0.000227582615280215
|
|
882 7.06686686686687 -0.00026700774005183 -0.000225817784720722
|
|
883 7.07477477477477 -0.000265228920553978 -0.000224068511373596
|
|
884 7.08268268268268 -0.000263463873141327 -0.000222334642090364
|
|
885 7.09059059059059 -0.00026171247660003 -0.000220616025380733
|
|
886 7.0984984984985 -0.000259974610907719 -0.000218912511393117
|
|
887 7.10640640640641 -0.000258250157220623 -0.000217223951895408
|
|
888 7.11431431431431 -0.000256538997860837 -0.000215550200255996
|
|
889 7.12222222222222 -0.000254841016303736 -0.000213891111425017
|
|
890 7.13013013013013 -0.000253156097165548 -0.000212246541915841
|
|
891 7.13803803803804 -0.000251484126191053 -0.000210616349786795
|
|
892 7.14594594594595 -0.000249824990241449 -0.000209000394623107
|
|
893 7.15385385385385 -0.00024817857728234 -0.000207398537519085
|
|
894 7.16176176176176 -0.000246544776371874 -0.000205810641060509
|
|
895 7.16966966966967 -0.000244923477649021 -0.000204236569307248
|
|
896 7.17757757757758 -0.000243314572321978 -0.000202676187776097
|
|
897 7.18548548548549 -0.00024171795265672 -0.000201129363423821
|
|
898 7.19339339339339 -0.000240133511965677 -0.000199595964630417
|
|
899 7.2013013013013 -0.000238561144596545 -0.000198075861182578
|
|
900 7.20920920920921 -0.000237000745921226 -0.00019656892425737
|
|
901 7.21711711711712 -0.000235452212324898 -0.000195075026406102
|
|
902 7.22502502502503 -0.000233915441195211 -0.000193594041538412
|
|
903 7.23293293293293 -0.000232390330911607 -0.000192125844906531
|
|
904 7.24084084084084 -0.000230876780834763 -0.000190670313089759
|
|
905 7.24874874874875 -0.00022937469129616 -0.000189227323979126
|
|
906 7.25665665665666 -0.000227883963587771 -0.000187796756762243
|
|
907 7.26456456456456 -0.000226404499951861 -0.000186378491908341
|
|
908 7.27247247247247 -0.000224936203570918 -0.000184972411153498
|
|
909 7.28038038038038 -0.000223478978557687 -0.000183578397486045
|
|
910 7.28828828828829 -0.000222032729945328 -0.000182196335132155
|
|
911 7.2961961961962 -0.000220597363677682 -0.000180826109541607
|
|
912 7.3041041041041 -0.00021917278659965 -0.000179467607373728
|
|
913 7.31201201201201 -0.000217758906447686 -0.000178120716483512
|
|
914 7.31991991991992 -0.000216355631840392 -0.000176785325907899
|
|
915 7.32782782782783 -0.000214962872269229 -0.000175461325852232
|
|
916 7.33573573573574 -0.000213580538089325 -0.000174148607676883
|
|
917 7.34364364364364 -0.0002122085405104 -0.000172847063884031
|
|
918 7.35155155155155 -0.000210846791587785 -0.000171556588104619
|
|
919 7.35945945945946 -0.000209495204213545 -0.000170277075085453
|
|
920 7.36736736736737 -0.00020815369210771 -0.000169008420676477
|
|
921 7.37527527527527 -0.000206822169809597 -0.00016775052181819
|
|
922 7.38318318318318 -0.000205500552669239 -0.000166503276529224
|
|
923 7.39109109109109 -0.000204188756838903 -0.000165266583894077
|
|
924 7.398998998999 -0.000202886699264713 -0.000164040344050983
|
|
925 7.40690690690691 -0.000201594297678367 -0.000162824458179949
|
|
926 7.41481481481481 -0.000200311470588938 -0.000161618828490919
|
|
927 7.42272272272272 -0.000199038137274782 -0.000160423358212099
|
|
928 7.43063063063063 -0.000197774217775529 -0.000159237951578412
|
|
929 7.43853853853854 -0.000196519632884167 -0.0001580625138201
|
|
930 7.44644644644645 -0.000195274304139217 -0.000156896951151465
|
|
931 7.45435435435435 -0.000194038153816995 -0.000155741170759743
|
|
932 7.46226226226226 -0.000192811104923959 -0.000154595080794117
|
|
933 7.47017017017017 -0.00019159308118915 -0.00015345859035486
|
|
934 7.47807807807808 -0.000190384007056707 -0.000152331609482615
|
|
935 7.48598598598599 -0.000189183807678479 -0.000151214049147799
|
|
936 7.49389389389389 -0.00018799240890671 -0.00015010582124014
|
|
937 7.5018018018018 -0.000186809737286811 -0.000149006838558338
|
|
938 7.50970970970971 -0.000185635720050212 -0.000147917014799853
|
|
939 7.51761761761762 -0.000184470285107296 -0.000146836264550814
|
|
940 7.52552552552553 -0.00018331336104041 -0.000145764503276053
|
|
941 7.53343343343343 -0.000182164877096955 -0.000144701647309257
|
|
942 7.54134134134134 -0.000181024763182555 -0.000143647613843239
|
|
943 7.54924924924925 -0.000179892949854299 -0.00014260232092033
|
|
944 7.55715715715716 -0.000178769368314064 -0.000141565687422879
|
|
945 7.56506506506507 -0.000177653950401906 -0.000140537633063874
|
|
946 7.57297297297297 -0.00017654662858953 -0.000139518078377676
|
|
947 7.58088088088088 -0.00017544733597383 -0.000138506944710858
|
|
948 7.58878878878879 -0.000174356006270504 -0.000137504154213161
|
|
949 7.5966966966967 -0.000173272573807734 -0.000136509629828554
|
|
950 7.6046046046046 -0.000172196973519945 -0.000135523295286404
|
|
951 7.61251251251251 -0.000171129140941626 -0.00013454507509275
|
|
952 7.62042042042042 -0.000170069012201222 -0.00013357489452168
|
|
953 7.62832832832833 -0.000169016524015095 -0.000132612679606818
|
|
954 7.63623623623624 -0.000167971613681552 -0.000131658357132902
|
|
955 7.64414414414414 -0.000166934219074936 -0.000130711854627473
|
|
956 7.65205205205205 -0.000165904278639786 -0.000129773100352657
|
|
957 7.65995995995996 -0.00016488173138506 -0.000128842023297044
|
|
958 7.66786786786787 -0.000163866516878421 -0.000127918553167672
|
|
959 7.67577577577578 -0.000162858575240589 -0.000127002620382095
|
|
960 7.68368368368368 -0.000161857847139751 -0.000126094156060556
|
|
961 7.69159159159159 -0.000160864273786036 -0.000125193092018242
|
|
962 7.6994994994995 -0.00015987779692605 -0.000124299360757643
|
|
963 7.70740740740741 -0.000158898358837471 -0.000123412895460994
|
|
964 7.71531531531532 -0.0001579259023237 -0.000122533629982808
|
|
965 7.72322322322322 -0.000156960370708581 -0.000121661498842495
|
|
966 7.73113113113113 -0.000156001707831164 -0.000120796437217076
|
|
967 7.73903903903904 -0.000155049858040539 -0.000119938380933977
|
|
968 7.74694694694695 -0.000154104766190715 -0.000119087266463906
|
|
969 7.75485485485486 -0.00015316637763557 -0.000118243030913822
|
|
970 7.76276276276276 -0.000152234638223837 -0.000117405612019983
|
|
971 7.77067067067067 -0.000151309494294161 -0.00011657494814107
|
|
972 7.77857857857858 -0.000150390892670202 -0.000115750978251404
|
|
973 7.78648648648649 -0.000149478780655795 -0.000114933641934231
|
|
974 7.79439439439439 -0.000148573106030158 -0.000114122879375097
|
|
975 7.8023023023023 -0.000147673817043154 -0.000113318631355291
|
|
976 7.81021021021021 -0.000146780862410613 -0.00011252083924537
|
|
977 7.81811811811812 -0.000145894191309688 -0.000111729444998761
|
|
978 7.82602602602603 -0.000145013753374277 -0.000110944391145435
|
|
979 7.83393393393393 -0.000144139498690487 -0.000110165620785656
|
|
980 7.84184184184184 -0.000143271377792148 -0.000109393077583804
|
|
981 7.84974974974975 -0.000142409341656376 -0.000108626705762272
|
|
982 7.85765765765766 -0.000141553341699185 -0.000107866450095427
|
|
983 7.86556556556557 -0.000140703329771146 -0.000107112255903651
|
|
984 7.87347347347347 -0.000139859258153091 -0.000106364069047446
|
|
985 7.88138138138138 -0.000139021079551867 -0.000105621835921609
|
|
986 7.88928928928929 -0.000138188747096131 -0.000104885503449472
|
|
987 7.8971971971972 -0.000137362214332195 -0.000104155019077217
|
|
988 7.9051051051051 -0.000136541435219913 -0.000103430330768248
|
|
989 7.91301301301301 -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 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 10309.3974352348
|
|
45 0.447947947947948 303.931980919109 8175.13920507066
|
|
46 0.455855855855856 246.141462231625 6508.79025397951
|
|
47 0.463763763763764 200.044126339843 5202.19814113543
|
|
48 0.471671671671672 163.133742895649 4173.45989721321
|
|
49 0.47957957957958 133.470587919223 3360.25616601186
|
|
50 0.487487487487487 109.546937702659 2714.95080608243
|
|
51 0.495395395395395 90.1859880441807 2200.96966605309
|
|
52 0.503303303303303 74.4655327945341 1790.11119620872
|
|
53 0.511211211211211 61.6600731184715 1460.53941590405
|
|
54 0.519119119119119 51.1967120797789 1195.27907319377
|
|
55 0.527027027027027 42.6214077212078 981.082208711587
|
|
56 0.534934934934935 35.5730445488606 807.570697849686
|
|
57 0.542842842842843 29.7634318289631 666.58480404079
|
|
58 0.550750750750751 24.9618136689605 551.686198179063
|
|
59 0.558658658658659 20.9828277134741 457.777295525442
|
|
60 0.566566566566567 17.6771102543988 380.808549611174
|
|
61 0.574474474474475 14.9239399666621 317.552527697913
|
|
62 0.582382382382382 12.6254579324455 265.428890335593
|
|
63 0.59029029029029 10.702110890642 222.368321192102
|
|
64 0.598198198198198 9.08904707540014 186.706371488475
|
|
65 0.606106106106106 7.73325642819215 157.100362693263
|
|
66 0.614014014014014 6.59129441864613 132.464125215076
|
|
67 0.621921921921922 5.62746491464626 111.916580882359
|
|
68 0.62982982982983 4.81236526704912 94.7411064357778
|
|
69 0.637737737737738 4.12171807997045 80.353320148852
|
|
70 0.645645645645646 3.53543056641056 68.2754702131239
|
|
71 0.653553553553553 3.03683509962812 58.1160133260203
|
|
72 0.661461461461461 2.61207443666202 49.5532860031556
|
|
73 0.669369369369369 2.24960277268262 42.3224126622511
|
|
74 0.677277277277277 1.93977978527475 36.2047808593203
|
|
75 0.685185185185185 1.67453952866914 31.0195582674803
|
|
76 0.693093093093093 1.44711973162338 26.6168379429621
|
|
77 0.701001001001001 1.25183996326264 22.8720855987541
|
|
78 0.708908908908909 1.08391943117302 19.6816306881353
|
|
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|
916 7.33573573573574 -1.28340918131859e-07 -1.04971143325016e-07
|
|
917 7.34364364364364 -1.27513938951029e-07 -1.04182445776056e-07
|
|
918 7.35155155155155 -1.26693169925703e-07 -1.0340051332225e-07
|
|
919 7.35945945945946 -1.25878557816435e-07 -1.02625280752732e-07
|
|
920 7.36736736736737 -1.25070049896697e-07 -1.01856683554308e-07
|
|
921 7.37527527527527 -1.24267593947393e-07 -1.01094657903259e-07
|
|
922 7.38318318318318 -1.23471138251439e-07 -1.00339140657238e-07
|
|
923 7.39109109109109 -1.2268063158841e-07 -9.95900693472841e-08
|
|
924 7.398998998999 -1.21896023229239e-07 -9.88473821699256e-08
|
|
925 7.40690690690691 -1.21117262930992e-07 -9.81110179793936e-08
|
|
926 7.41481481481481 -1.20344300931697e-07 -9.73809162799294e-08
|
|
927 7.42272272272272 -1.19577087945227e-07 -9.66570172181924e-08
|
|
928 7.43063063063063 -1.18815575156258e-07 -9.59392615757642e-08
|
|
929 7.43853853853854 -1.18059714215273e-07 -9.52275907617473e-08
|
|
930 7.44644644644645 -1.17309457233628e-07 -9.45219468054591e-08
|
|
931 7.45435435435435 -1.1656475677868e-07 -9.38222723492171e-08
|
|
932 7.46226226226226 -1.15825565868961e-07 -9.31285106412165e-08
|
|
933 7.47017017017017 -1.15091837969424e-07 -9.24406055284982e-08
|
|
934 7.47807807807808 -1.14363526986724e-07 -9.17585014500048e-08
|
|
935 7.48598598598599 -1.13640587264573e-07 -9.1082143429725e-08
|
|
936 7.49389389389389 -1.12922973579137e-07 -9.04114770699246e-08
|
|
937 7.5018018018018 -1.1221064113449e-07 -8.97464485444623e-08
|
|
938 7.50970970970971 -1.1150354555812e-07 -8.90870045921907e-08
|
|
939 7.51761761761762 -1.10801642896485e-07 -8.84330925104384e-08
|
|
940 7.52552552552553 -1.10104889610626e-07 -8.77846601485768e-08
|
|
941 7.53343343343343 -1.09413242571824e-07 -8.71416559016652e-08
|
|
942 7.54134134134134 -1.0872665905731e-07 -8.65040287041764e-08
|
|
943 7.54924924924925 -1.08045096746024e-07 -8.58717280238021e-08
|
|
944 7.55715715715716 -1.07368513714422e-07 -8.52447038553339e-08
|
|
945 7.56506506506507 -1.06696868432335e-07 -8.4622906714622e-08
|
|
946 7.57297297297297 -1.06030119758866e-07 -8.40062876326093e-08
|
|
947 7.58088088088088 -1.05368226938346e-07 -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
|
|
137 1.17547547547548 40.9789325105505 424.976881690012
|
|
138 1.18338338338338 37.7617220619821 389.253149573382
|
|
139 1.19129129129129 34.814138879155 356.73147899483
|
|
140 1.1991991991992 32.1120889754318 327.106814472446
|
|
141 1.20710710710711 29.6337667303837 300.104878336036
|
|
142 1.21501501501502 27.3594247165163 275.478893624044
|
|
143 1.22292292292292 25.2711679593878 253.006674035927
|
|
144 1.23083083083083 23.3527699027075 232.488037819652
|
|
145 1.23873873873874 21.5895076695682 213.742507772862
|
|
146 1.24664664664665 19.9680144913723 196.607264155551
|
|
147 1.25455455455455 18.4761474222703 180.935321342681
|
|
148 1.26246246246246 17.1028686733907 166.593902565179
|
|
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|
822 6.59239239239239 -4.17506699746548e-05 -3.79592096367067e-05
|
|
823 6.6003003003003 -4.14517460519744e-05 -3.76425605426408e-05
|
|
824 6.60820820820821 -4.1155314231204e-05 -3.73289232843178e-05
|
|
825 6.61611611611612 -4.08613508223491e-05 -3.70182657234804e-05
|
|
826 6.62402402402402 -4.05698323880568e-05 -3.67105561015997e-05
|
|
827 6.63193193193193 -4.02807357406324e-05 -3.6405763034961e-05
|
|
828 6.63983983983984 -3.99940379390949e-05 -3.61038555098192e-05
|
|
829 6.64774774774775 -3.97097162862698e-05 -3.58048028776206e-05
|
|
830 6.65565565565566 -3.94277483259204e-05 -3.55085748502939e-05
|
|
831 6.66356356356356 -3.91481118399151e-05 -3.52151414956045e-05
|
|
832 6.67147147147147 -3.88707848454318e-05 -3.49244732325761e-05
|
|
833 6.67937937937938 -3.85957455921981e-05 -3.46365408269752e-05
|
|
834 6.68728728728729 -3.83229725597671e-05 -3.43513153868578e-05
|
|
835 6.6951951951952 -3.80524444548276e-05 -3.40687683581799e-05
|
|
836 6.7031031031031 -3.77841402085494e-05 -3.3788871520468e-05
|
|
837 6.71101101101101 -3.75180389739624e-05 -3.35115969825494e-05
|
|
838 6.71891891891892 -3.72541201233693e-05 -3.32369171783435e-05
|
|
839 6.72682682682683 -3.69923632457909e-05 -3.29648048627093e-05
|
|
840 6.73473473473473 -3.67327481444449e-05 -3.26952331073526e-05
|
|
841 6.74264264264264 -3.64752548342558e-05 -3.24281752967878e-05
|
|
842 6.75055055055055 -3.6219863539397e-05 -3.21636051243576e-05
|
|
843 6.75845845845846 -3.59665546908648e-05 -3.1901496588306e-05
|
|
844 6.76636636636637 -3.57153089240819e-05 -3.16418239879064e-05
|
|
845 6.77427427427427 -3.54661070765327e-05 -3.13845619196432e-05
|
|
846 6.78218218218218 -3.5218930185427e-05 -3.11296852734449e-05
|
|
847 6.79009009009009 -3.4973759485395e-05 -3.08771692289707e-05
|
|
848 6.797997997998 -3.47305764062105e-05 -3.06269892519463e-05
|
|
849 6.80590590590591 -3.44893625705427e-05 -3.03791210905518e-05
|
|
850 6.81381381381381 -3.4250099791737e-05 -3.01335407718574e-05
|
|
851 6.82172172172172 -3.40127700716235e-05 -2.98902245983094e-05
|
|
852 6.82962962962963 -3.37773555983526e-05 -2.96491491442633e-05
|
|
853 6.83753753753754 -3.35438387442591e-05 -2.94102912525649e-05
|
|
854 6.84544544544545 -3.3312202063752e-05 -2.91736280311775e-05
|
|
855 6.85335335335335 -3.30824282912307e-05 -2.89391368498557e-05
|
|
856 6.86126126126126 -3.28545003390286e-05 -2.87067953368643e-05
|
|
857 6.86916916916917 -3.26284012953812e-05 -2.84765813757414e-05
|
|
858 6.87707707707708 -3.24041144224201e-05 -2.82484731021063e-05
|
|
859 6.88498498498499 -3.2181623154192e-05 -2.80224489005105e-05
|
|
860 6.89289289289289 -3.19609110947026e-05 -2.77984874013306e-05
|
|
861 6.9008008008008 -3.17419620159849e-05 -2.75765674777048e-05
|
|
862 6.90870870870871 -3.1524759856191e-05 -2.73566682425097e-05
|
|
863 6.91661661661662 -3.13092887177085e-05 -2.71387690453782e-05
|
|
864 6.92452452452453 -3.10955328653e-05 -2.69228494697584e-05
|
|
865 6.93243243243243 -3.08834767242651e-05 -2.67088893300111e-05
|
|
866 6.94034034034034 -3.06731048786262e-05 -2.64968686685473e-05
|
|
867 6.94824824824825 -3.04644020693358e-05 -2.62867677530036e-05
|
|
868 6.95615615615616 -3.02573531925071e-05 -2.60785670734565e-05
|
|
869 6.96406406406406 -3.00519432976653e-05 -2.58722473396729e-05
|
|
870 6.97197197197197 -2.98481575860216e-05 -2.56677894783986e-05
|
|
871 6.97987987987988 -2.96459814087673e-05 -2.54651746306827e-05
|
|
872 6.98778778778779 -2.944540026539e-05 -2.52643841492375e-05
|
|
873 6.9956956956957 -2.92463998020102e-05 -2.50653995958347e-05
|
|
874 7.0036036036036 -2.90489658097378e-05 -2.48682027387352e-05
|
|
875 7.01151151151151 -2.88530842230498e-05 -2.46727755501544e-05
|
|
876 7.01941941941942 -2.86587411181869e-05 -2.44791002037603e-05
|
|
877 7.02732732732733 -2.84659227115704e-05 -2.42871590722055e-05
|
|
878 7.03523523523523 -2.82746153582385e-05 -2.4096934724692e-05
|
|
879 7.04314314314314 -2.8084805550301e-05 -2.39084099245685e-05
|
|
880 7.05105105105105 -2.78964799154142e-05 -2.37215676269589e-05
|
|
881 7.05895895895896 -2.77096252152725e-05 -2.35363909764233e-05
|
|
882 7.06686686686687 -2.75242283441209e-05 -2.33528633046494e-05
|
|
883 7.07477477477477 -2.73402763272828e-05 -2.31709681281742e-05
|
|
884 7.08268268268268 -2.71577563197084e-05 -2.29906891461368e-05
|
|
885 7.09059059059059 -2.69766556045387e-05 -2.281201023806e-05
|
|
886 7.0984984984985 -2.67969615916878e-05 -2.26349154616613e-05
|
|
887 7.10640640640641 -2.66186618164426e-05 -2.24593890506932e-05
|
|
888 7.11431431431431 -2.64417439380792e-05 -2.2285415412812e-05
|
|
889 7.12222222222222 -2.62661957384954e-05 -2.21129791274735e-05
|
|
890 7.13013013013013 -2.60920051208614e-05 -2.19420649438582e-05
|
|
891 7.13803803803804 -2.59191601082846e-05 -2.17726577788218e-05
|
|
892 7.14594594594595 -2.57476488424925e-05 -2.16047427148744e-05
|
|
893 7.15385385385385 -2.55774595825302e-05 -2.14383049981847e-05
|
|
894 7.16176176176176 -2.54085807034743e-05 -2.12733300366112e-05
|
|
895 7.16966966966967 -2.52410006951617e-05 -2.11098033977591e-05
|
|
896 7.17757757757758 -2.50747081609341e-05 -2.09477108070616e-05
|
|
897 7.18548548548549 -2.49096918163972e-05 -2.07870381458882e-05
|
|
898 7.19339339339339 -2.47459404881953e-05 -2.06277714496752e-05
|
|
899 7.2013013013013 -2.45834431128e-05 -2.04698969060829e-05
|
|
900 7.20920920920921 -2.44221887353139e-05 -2.03134008531749e-05
|
|
901 7.21711711711712 -2.42621665082879e-05 -2.01582697776225e-05
|
|
902 7.22502502502503 -2.41033656905535e-05 -2.00044903129311e-05
|
|
903 7.23293293293293 -2.39457756460684e-05 -1.98520492376907e-05
|
|
904 7.24084084084084 -2.37893858427759e-05 -1.97009334738487e-05
|
|
905 7.24874874874875 -2.36341858514784e-05 -1.95511300850047e-05
|
|
906 7.25665665665666 -2.34801653447234e-05 -1.94026262747276e-05
|
|
907 7.26456456456456 -2.33273140957034e-05 -1.92554093848948e-05
|
|
908 7.27247247247247 -2.3175621977169e-05 -1.91094668940523e-05
|
|
909 7.28038038038038 -2.3025078960354e-05 -1.89647864157959e-05
|
|
910 7.28828828828829 -2.2875675113914e-05 -1.8821355697174e-05
|
|
911 7.2961961961962 -2.27274006028777e-05 -1.86791626171098e-05
|
|
912 7.3041041041041 -2.25802456876095e-05 -1.85381951848449e-05
|
|
913 7.31201201201201 -2.24342007227856e-05 -1.83984415384022e-05
|
|
914 7.31991991991992 -2.22892561563813e-05 -1.82598899430684e-05
|
|
915 7.32782782782783 -2.21454025286709e-05 -1.81225287898966e-05
|
|
916 7.33573573573574 -2.20026304712385e-05 -1.79863465942276e-05
|
|
917 7.34364364364364 -2.18609307060015e-05 -1.78513319942299e-05
|
|
918 7.35155155155155 -2.17202940442444e-05 -1.7717473749459e-05
|
|
919 7.35945945945946 -2.15807113856652e-05 -1.75847607394344e-05
|
|
920 7.36736736736737 -2.14421737174317e-05 -1.74531819622351e-05
|
|
921 7.37527527527527 -2.13046721132497e-05 -1.73227265331133e-05
|
|
922 7.38318318318318 -2.11681977324419e-05 -1.71933836831246e-05
|
|
923 7.39109109109109 -2.10327418190372e-05 -1.70651427577771e-05
|
|
924 7.398998998999 -2.08982957008713e-05 -1.69379932156962e-05
|
|
925 7.40690690690691 -2.07648507886971e-05 -1.68119246273079e-05
|
|
926 7.41481481481481 -2.0632398575306e-05 -1.6686926673537e-05
|
|
927 7.42272272272272 -2.05009306346588e-05 -1.65629891445232e-05
|
|
928 7.43063063063063 -2.03704386210275e-05 -1.64401019383529e-05
|
|
929 7.43853853853854 -2.02409142681462e-05 -1.63182550598067e-05
|
|
930 7.44644644644645 -2.01123493883727e-05 -1.61974386191233e-05
|
|
931 7.45435435435435 -1.9984735871859e-05 -1.60776428307788e-05
|
|
932 7.46226226226226 -1.98580656857321e-05 -1.59588580122809e-05
|
|
933 7.47017017017017 -1.97323308732837e-05 -1.58410745829789e-05
|
|
934 7.47807807807808 -1.96075235531696e-05 -1.57242830628883e-05
|
|
935 7.48598598598599 -1.94836359186183e-05 -1.56084740715304e-05
|
|
936 7.49389389389389 -1.93606602366487e-05 -1.54936383267858e-05
|
|
937 7.5018018018018 -1.92385888472964e-05 -1.53797666437635e-05
|
|
938 7.50970970970971 -1.91174141628497e-05 -1.52668499336828e-05
|
|
939 7.51761761761762 -1.89971286670937e-05 -1.51548792027699e-05
|
|
940 7.52552552552553 -1.88777249145636e-05 -1.50438455511684e-05
|
|
941 7.53343343343343 -1.87591955298057e-05 -1.49337401718628e-05
|
|
942 7.54134134134134 -1.86415332066479e-05 -1.48245543496161e-05
|
|
943 7.54924924924925 -1.85247307074782e-05 -1.47162794599202e-05
|
|
944 7.55715715715716 -1.84087808625308e-05 -1.46089069679592e-05
|
|
945 7.56506506506507 -1.82936765691814e-05 -1.45024284275861e-05
|
|
946 7.57297297297297 -1.81794107912495e-05 -1.4396835480312e-05
|
|
947 7.58088088088088 -1.80659765583097e-05 -1.42921198543074e-05
|
|
948 7.58878878878879 -1.79533669650101e-05 -1.41882733634168e-05
|
|
949 7.5966966966967 -1.78415751703986e-05 -1.40852879061843e-05
|
|
950 7.6046046046046 -1.77305943972566e-05 -1.39831554648923e-05
|
|
951 7.61251251251251 -1.76204179314415e-05 -1.38818681046117e-05
|
|
952 7.62042042042042 -1.75110391212346e-05 -1.37814179722636e-05
|
|
953 7.62832832832833 -1.74024513766985e-05 -1.36817972956926e-05
|
|
954 7.63623623623624 -1.72946481690399e-05 -1.3582998382752e-05
|
|
955 7.64414414414414 -1.71876230299812e-05 -1.34850136203999e-05
|
|
956 7.65205205205205 -1.70813695511383e-05 -1.33878354738061e-05
|
|
957 7.65995995995996 -1.69758813834052e-05 -1.32914564854704e-05
|
|
958 7.66786786786787 -1.68711522363464e-05 -1.31958692743518e-05
|
|
959 7.67577577577578 -1.67671758775955e-05 -1.31010665350082e-05
|
|
960 7.68368368368368 -1.66639461322608e-05 -1.30070410367462e-05
|
|
961 7.69159159159159 -1.65614568823374e-05 -1.2913785622782e-05
|
|
962 7.6994994994995 -1.64597020661261e-05 -1.28212932094122e-05
|
|
963 7.70740740740741 -1.63586756776588e-05 -1.2729556785195e-05
|
|
964 7.71531531531532 -1.62583717661301e-05 -1.26385694101408e-05
|
|
965 7.72322322322322 -1.61587844353356e-05 -1.2548324214913e-05
|
|
966 7.73113113113113 -1.6059907843116e-05 -1.24588144000389e-05
|
|
967 7.73903903903904 -1.59617362008082e-05 -1.23700332351297e-05
|
|
968 7.74694694694695 -1.58642637727017e-05 -1.22819740581098e-05
|
|
969 7.75485485485486 -1.57674848755014e-05 -1.21946302744563e-05
|
|
970 7.76276276276276 -1.56713938777966e-05 -1.21079953564467e-05
|
|
971 7.77067067067067 -1.55759851995355e-05 -1.20220628424164e-05
|
|
972 7.77857857857858 -1.54812533115057e-05 -1.19368263360251e-05
|
|
973 7.78648648648649 -1.53871927348206e-05 -1.18522795055317e-05
|
|
974 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
|
|
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|
|
854 6.84544544544545 -3.03696420707272e-09 -2.66188411268601e-09
|
|
855 6.85335335335335 -3.01599912074711e-09 -2.64045804478361e-09
|
|
856 6.86126126126126 -2.99520269001537e-09 -2.61922885085069e-09
|
|
857 6.86916916916917 -2.9745733660692e-09 -2.59819449811964e-09
|
|
858 6.87707707707708 -2.95410961608295e-09 -2.57735297711702e-09
|
|
859 6.88498498498499 -2.93380992303054e-09 -2.55670230137018e-09
|
|
860 6.89289289289289 -2.91367278550475e-09 -2.53624050711805e-09
|
|
861 6.9008008008008 -2.89369671753877e-09 -2.51596565302579e-09
|
|
862 6.90870870870871 -2.8738802484299e-09 -2.49587581990344e-09
|
|
863 6.91661661661662 -2.85422192256561e-09 -2.47596911042834e-09
|
|
864 6.92452452452453 -2.83472029925164e-09 -2.45624364887137e-09
|
|
865 6.93243243243243 -2.81537395254235e-09 -2.43669758082694e-09
|
|
866 6.94034034034034 -2.79618147107313e-09 -2.41732907294661e-09
|
|
867 6.94824824824825 -2.77714145789491e-09 -2.39813631267642e-09
|
|
868 6.95615615615616 -2.7582525303108e-09 -2.3791175079977e-09
|
|
869 6.96406406406406 -2.73951331971465e-09 -2.36027088717145e-09
|
|
870 6.97197197197197 -2.72092247143171e-09 -2.3415946984862e-09
|
|
871 6.97987987987988 -2.70247864456125e-09 -2.32308721000922e-09
|
|
872 6.98778778778779 -2.68418051182108e-09 -2.30474670934118e-09
|
|
873 6.9956956956957 -2.66602675939412e-09 -2.28657150337408e-09
|
|
874 7.0036036036036 -2.64801608677668e-09 -2.26855991805244e-09
|
|
875 7.01151151151151 -2.63014720662885e-09 -2.25071029813773e-09
|
|
876 7.01941941941942 -2.61241884462652e-09 -2.23302100697601e-09
|
|
877 7.02732732732733 -2.59482973931537e-09 -2.21549042626858e-09
|
|
878 7.03523523523523 -2.57737864196663e-09 -2.1981169558459e-09
|
|
879 7.04314314314314 -2.56006431643456e-09 -2.18089901344432e-09
|
|
880 7.05105105105105 -2.54288553901573e-09 -2.16383503448603e-09
|
|
881 7.05895895895896 -2.52584109831005e-09 -2.14692347186176e-09
|
|
882 7.06686686686687 -2.50892979508348e-09 -2.13016279571655e-09
|
|
883 7.07477477477477 -2.49215044213238e-09 -2.11355149323827e-09
|
|
884 7.08268268268268 -2.47550186414959e-09 -2.09708806844901e-09
|
|
885 7.09059059059059 -2.45898289759216e-09 -2.08077104199927e-09
|
|
886 7.0984984984985 -2.44259239055057e-09 -2.06459895096487e-09
|
|
887 7.10640640640641 -2.42632920261973e-09 -2.04857034864653e-09
|
|
888 7.11431431431431 -2.41019220477138e-09 -2.03268380437219e-09
|
|
889 7.12222222222222 -2.39418027922819e-09 -2.01693790330188e-09
|
|
890 7.13013013013013 -2.37829231933926e-09 -2.00133124623525e-09
|
|
891 7.13803803803804 -2.36252722945724e-09 -1.98586244942158e-09
|
|
892 7.14594594594595 -2.34688392481689e-09 -1.97053014437233e-09
|
|
893 7.15385385385385 -2.3313613314151e-09 -1.95533297767621e-09
|
|
894 7.16176176176176 -2.3159583858924e-09 -1.94026961081665e-09
|
|
895 7.16966966966967 -2.30067403541591e-09 -1.92533871999166e-09
|
|
896 7.17757757757758 -2.28550723756364e-09 -1.91053899593609e-09
|
|
897 7.18548548548549 -2.27045696021025e-09 -1.89586914374628e-09
|
|
898 7.19339339339339 -2.25552218141417e-09 -1.8813278827069e-09
|
|
899 7.2013013013013 -2.24070188930607e-09 -1.86691394612015e-09
|
|
900 7.20920920920921 -2.22599508197868e-09 -1.8526260811372e-09
|
|
901 7.21711711711712 -2.21140076737794e-09 -1.83846304859181e-09
|
|
902 7.22502502502503 -2.19691796319544e-09 -1.82442362283611e-09
|
|
903 7.23293293293293 -2.18254569676216e-09 -1.81050659157859e-09
|
|
904 7.24084084084084 -2.16828300494349e-09 -1.79671075572413e-09
|
|
905 7.24874874874875 -2.15412893403551e-09 -1.78303492921621e-09
|
|
906 7.25665665665666 -2.14008253966246e-09 -1.76947793888108e-09
|
|
907 7.26456456456456 -2.12614288667551e-09 -1.75603862427401e-09
|
|
908 7.27247247247247 -2.11230904905271e-09 -1.74271583752758e-09
|
|
909 7.28038038038038 -2.09858010980007e-09 -1.7295084432018e-09
|
|
910 7.28828828828829 -2.08495516085394e-09 -1.71641531813637e-09
|
|
911 7.2961961961962 -2.07143330298441e-09 -1.70343535130469e-09
|
|
912 7.3041041041041 -2.05801364569999e-09 -1.69056744366983e-09
|
|
913 7.31201201201201 -2.04469530715333e-09 -1.67781050804241e-09
|
|
914 7.31991991991992 -2.0314774140481e-09 -1.66516346894018e-09
|
|
915 7.32782782782783 -2.01835910154693e-09 -1.65262526244958e-09
|
|
916 7.33573573573574 -2.00533951318051e-09 -1.64019483608894e-09
|
|
917 7.34364364364364 -1.99241780075769e-09 -1.62787114867354e-09
|
|
918 7.35155155155155 -1.9795931242767e-09 -1.61565317018236e-09
|
|
919 7.35945945945946 -1.96686465183735e-09 -1.60353988162654e-09
|
|
920 7.36736736736737 -1.95423155955435e-09 -1.59153027491956e-09
|
|
921 7.37527527527527 -1.94169303147158e-09 -1.57962335274908e-09
|
|
922 7.38318318318318 -1.92924825947737e-09 -1.56781812845035e-09
|
|
923 7.39109109109109 -1.91689644322084e-09 -1.55611362588137e-09
|
|
924 7.398998998999 -1.90463679002913e-09 -1.54450887929952e-09
|
|
925 7.40690690690691 -1.89246851482569e-09 -1.53300293323985e-09
|
|
926 7.41481481481481 -1.88039084004945e-09 -1.52159484239491e-09
|
|
927 7.42272272272272 -1.86840299557495e-09 -1.51028367149602e-09
|
|
928 7.43063063063063 -1.85650421863348e-09 -1.49906849519621e-09
|
|
929 7.43853853853854 -1.84469375373501e-09 -1.48794839795452e-09
|
|
930 7.44644644644645 -1.83297085259114e-09 -1.47692247392182e-09
|
|
931 7.45435435435435 -1.8213347740389e-09 -1.46598982682809e-09
|
|
932 7.46226226226226 -1.80978478396543e-09 -1.45514956987108e-09
|
|
933 7.47017017017017 -1.79832015523353e-09 -1.44440082560644e-09
|
|
934 7.47807807807808 -1.78694016760811e-09 -1.43374272583919e-09
|
|
935 7.48598598598599 -1.7756441076835e-09 -1.42317441151662e-09
|
|
936 7.49389389389389 -1.76443126881151e-09 -1.41269503262245e-09
|
|
937 7.5018018018018 -1.75330095103042e-09 -1.40230374807242e-09
|
|
938 7.50970970970971 -1.74225246099475e-09 -1.39199972561114e-09
|
|
939 7.51761761761762 -1.73128511190585e-09 -1.38178214171027e-09
|
|
940 7.52552552552553 -1.72039822344329e-09 -1.37165018146792e-09
|
|
941 7.53343343343343 -1.70959112169701e-09 -1.36160303850941e-09
|
|
942 7.54134134134134 -1.69886313910031e-09 -1.35163991488918e-09
|
|
943 7.54924924924925 -1.68821361436354e-09 -1.34176002099399e-09
|
|
944 7.55715715715716 -1.67764189240864e-09 -1.33196257544729e-09
|
|
945 7.56506506506507 -1.66714732430432e-09 -1.32224680501485e-09
|
|
946 7.57297297297297 -1.65672926720208e-09 -1.31261194451146e-09
|
|
947 7.58088088088088 -1.64638708427292e-09 -1.30305723670894e-09
|
|
948 7.58878878878879 -1.63612014464475e-09 -1.29358193224514e-09
|
|
949 7.5966966966967 -1.62592782334057e-09 -1.2841852895342e-09
|
|
950 7.6046046046046 -1.61580950121733e-09 -1.27486657467786e-09
|
|
951 7.61251251251251 -1.60576456490546e-09 -1.2656250613779e-09
|
|
952 7.62042042042042 -1.59579240674911e-09 -1.25646003084962e-09
|
|
953 7.62832832832833 -1.58589242474713e-09 -1.24737077173648e-09
|
|
954 7.63623623623624 -1.57606402249456e-09 -1.23835658002571e-09
|
|
955 7.64414414414414 -1.56630660912501e-09 -1.22941675896501e-09
|
|
956 7.65205205205205 -1.55661959925347e-09 -1.22055061898026e-09
|
|
957 7.65995995995996 -1.54700241291989e-09 -1.21175747759429e-09
|
|
958 7.66786786786787 -1.53745447553344e-09 -1.20303665934656e-09
|
|
959 7.67577577577578 -1.52797521781723e-09 -1.19438749571397e-09
|
|
960 7.68368368368368 -1.51856407575387e-09 -1.18580932503248e-09
|
|
961 7.69159159159159 -1.50922049053144e-09 -1.17730149241983e-09
|
|
962 7.6994994994995 -1.49994390849023e-09 -1.16886334969913e-09
|
|
963 7.70740740740741 -1.49073378107e-09 -1.16049425532345e-09
|
|
964 7.71531531531532 -1.4815895647578e-09 -1.15219357430126e-09
|
|
965 7.72322322322322 -1.47251072103648e-09 -1.14396067812283e-09
|
|
966 7.73113113113113 -1.4634967163337e-09 -1.13579494468755e-09
|
|
967 7.73903903903904 -1.45454702197152e-09 -1.1276957582321e-09
|
|
968 7.74694694694695 -1.44566111411659e-09 -1.11966250925947e-09
|
|
969 7.75485485485486 -1.43683847373084e-09 -1.11169459446896e-09
|
|
970 7.76276276276276 -1.42807858652279e-09 -1.10379141668689e-09
|
|
971 7.77067067067067 -1.41938094289936e-09 -1.09595238479826e-09
|
|
972 7.77857857857858 -1.4107450379182e-09 -1.08817691367918e-09
|
|
973 7.78648648648649 -1.40217037124062e-09 -1.08046442413019e-09
|
|
974 7.79439439439439 -1.39365644708495e-09 -1.07281434281025e-09
|
|
975 7.8023023023023 -1.38520277418053e-09 -1.06522610217174e-09
|
|
976 7.81021021021021 -1.3768088657221e-09 -1.05769914039604e-09
|
|
977 7.81811811811812 -1.36847423932477e-09 -1.05023290133003e-09
|
|
978 7.82602602602603 -1.36019841697948e-09 -1.04282683442327e-09
|
|
979 7.83393393393393 -1.35198092500889e-09 -1.03548039466603e-09
|
|
980 7.84184184184184 -1.34382129402388e-09 -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
|
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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
|
|
61 0.574474474474475 71388186.6046848 1491228272.5321
|
|
62 0.582382382382382 60586407.4704289 1248406753.53858
|
|
63 0.59029029029029 51532942.4567449 1047632838.38055
|
|
64 0.598198198198198 43926842.4132892 881201846.516429
|
|
65 0.606106106106106 37521981.2821017 742896609.090773
|
|
66 0.614014014014014 32116532.5354573 627686012.587801
|
|
67 0.621921921921922 27544566.1994098 531487457.875539
|
|
68 0.62982982982983 23669319.367362 450979098.742814
|
|
69 0.637737737737738 20377791.4447253 383450976.660249
|
|
70 0.645645645645646 17576391.1985886 326686644.321706
|
|
71 0.653553553553553 15187421.360919 278868761.687915
|
|
72 0.661461461461461 13146232.0804967 238503597.773852
|
|
73 0.669369369369369 11398909.9872132 204360486.143793
|
|
74 0.677277277277277 9900397.33821033 175423142.123152
|
|
75 0.685185185185185 8612957.42295611 150850415.397163
|
|
76 0.693093093093093 7504919.46253368 129944568.474179
|
|
77 0.701001001001001 6549649.68160456 112125573.945732
|
|
78 0.708908908908909 5724705.85558308 96910237.8051127
|
|
79 0.716816816816817 5011141.0547652 83895202.2956388
|
|
80 0.724724724724725 4392928.99697986 72743075.1552639
|
|
81 0.732632632632633 3856488.74994028 63171084.4529629
|
|
82 0.740540540540541 3390290.78131081 54941778.5176519
|
|
83 0.748448448448448 2984529.76302483 47855385.724449
|
|
84 0.756356356356356 2630852.27233027 41743524.5322086
|
|
85 0.764264264264264 2322129.73338066 36464014.3585503
|
|
86 0.772172172172172 2052268.7185429 31896585.9028641
|
|
87 0.78008008008008 1816052.16367791 27939327.9361413
|
|
88 0.787987987987988 1609006.21428885 24505738.3667968
|
|
89 0.795895895895896 1427288.36341757 21522272.1319151
|
|
90 0.803803803803804 1267593.31027503 18926298.3873036
|
|
91 0.811711711711712 1127073.59490417 16664395.5505504
|
|
92 0.81961961961962 1003272.57592277 14690925.7584118
|
|
93 0.827527527527528 894067.737383311 12966840.843195
|
|
94 0.835435435435435 797622.654510418 11458680.4968422
|
|
95 0.843343343343343 712346.230602677 10137730.2619592
|
|
96 0.851251251251251 636858.050054761 8979312.67392741
|
|
97 0.859159159159159 569958.884422884 7962189.52373331
|
|
98 0.867067067067067 510605.547133766 7068057.01459224
|
|
99 0.874974974974975 457889.423832961 6281118.70535988
|
|
100 0.882882882882883 411018.114365615 5587723.69769841
|
|
101 0.890790790790791 369299.712956299 4976059.63489731
|
|
102 0.898698698698699 332129.32854676 4435891.82129774
|
|
103 0.906606606606607 298977.510110721 3958341.20976511
|
|
104 0.914514514514514 269380.294262291 3535695.19522339
|
|
105 0.922422422422422 242930.63638815 3161246.13930268
|
|
106 0.93033033033033 219271.02332513 2829153.37081427
|
|
107 0.938238238238238 198087.096477169 2534325.08854885
|
|
108 0.946146146146146 179102.140210666 2272317.1608961
|
|
109 0.954054054054054 162072.31220427 2039246.29074346
|
|
110 0.961961961961962 146782.510835518 1831715.41021043
|
|
111 0.96986986986987 133042.79022412 1646749.50130812
|
|
112 0.977777777777778 120685.246685827 1481740.31652173
|
|
113 0.985685685685686 109561.311469068 1334398.70661258
|
|
114 0.993593593593594 99539.3940713253 1202713.45907168
|
|
115 1.0015015015015 90502.8284322053 1084915.71578172
|
|
116 1.00940940940941 82348.0810999049 979448.177658414
|
|
117 1.01731731731732 74983.1862549003 884938.421571283
|
|
118 1.02522522522523 68326.3774063309 800175.754202051
|
|
119 1.03313313313313 62304.8897845567 724091.111606342
|
|
120 1.04104104104104 56853.911048383 655739.584536107
|
|
121 1.04894894894895 51915.6610005652 594285.210087193
|
|
122 1.05685685685686 47438.5836387865 538987.721655249
|
|
123 1.06476476476476 43376.6371274499 489190.992933864
|
|
124 1.07267267267267 39688.6692141221 444312.948960697
|
|
125 1.08058058058058 36337.8672805042 403836.749008663
|
|
126 1.08848848848849 33291.2736512862 367303.073268037
|
|
127 1.0963963963964 30519.358019039 334303.368477156
|
|
128 1.1043043043043 27995.6399081081 304473.927528129
|
|
129 1.11221221221221 25696.3550197041 277490.695100489
|
|
130 1.12012012012012 23600.1600947975 253064.705983233
|
|
131 1.12802802802803 21687.8716186833 230938.075291652
|
|
132 1.13593593593594 19942.2342862703 210880.470572608
|
|
133 1.14384384384384 18347.7156631265 192686.005076936
|
|
134 1.15175175175175 16890.3239250734 176170.499478251
|
|
135 1.15965965965966 15557.4459480793 161169.066218428
|
|
136 1.16756756756757 14337.7033584025 147533.976618736
|
|
137 1.17547547547548 13220.8244472967 135132.776045998
|
|
138 1.18338338338338 12197.5301110373 123846.616879253
|
|
139 1.19129129129129 11259.4322006507 113568.782881714
|
|
140 1.1991991991992 10398.9428609214 104203.381928533
|
|
141 1.20710710710711 9609.19360876919 95664.186944073
|
|
142 1.21501501501502 8883.96305020781 87873.6074241291
|
|
143 1.22292292292292 8217.61226559199 80761.7761108393
|
|
144 1.23083083083083 7605.02700718511 74265.7372958379
|
|
145 1.23873873873874 7041.56595330582 68328.724888867
|
|
146 1.24664664664665 6523.01435126472 62899.5198376904
|
|
147 1.25455455455455 6045.54245854462 57931.8777491647
|
|
148 1.26246246246246 5605.66825957441 53384.0186652349
|
|
149 1.27037037037037 5200.22399517392 49218.1719125219
|
|
150 1.27827827827828 4826.32609433453 45400.1697883155
|
|
151 1.28618618618619 4481.34814433639 41899.0845848987
|
|
152 1.29409409409409 4162.89657606386 38686.9041018196
|
|
153 1.302002002002 3868.78877744296 35738.2413637815
|
|
154 1.30990990990991 3597.0333797736 33030.074760421
|
|
155 1.31781781781782 3345.81248988301 30541.5152622574
|
|
156 1.32572572572573 3113.4656659279 28253.5977521608
|
|
157 1.33363363363363 2898.47545671829 26149.0938504997
|
|
158 1.34154154154154 2699.45434396441 24212.3439104568
|
|
159 1.34944944944945 2515.13294416063 22429.1061228863
|
|
160 1.35735735735736 2344.34934218042 20786.4209019287
|
|
161 1.36526526526527 2186.03944229164 19272.4889271922
|
|
162 1.37317317317317 2039.22823441692 17876.5613990178
|
|
163 1.38108108108108 1903.02188423399 16588.8412230525
|
|
164 1.38898898898899 1776.60056529283 15400.3939816117
|
|
165 1.3968968968969 1659.21195985728 14303.0676743426
|
|
166 1.4048048048048 1550.1653627782 13289.42032144
|
|
167 1.41271271271271 1448.82632947973 12352.6546208175
|
|
168 1.42062062062062 1354.61181518366 11486.5589377015
|
|
169 1.42852852852853 1266.98575789097 10685.4539823769
|
|
170 1.43643643643644 1185.45506245778 9944.14460044943
|
|
171 1.44434434434434 1109.56594740926 9257.87616097489
|
|
172 1.45225225225225 1038.90061998599 8622.29508205435
|
|
173 1.46016016016016 973.074248363654 8033.41308176253
|
|
174 1.46806806806807 911.732203072801 7487.57478526405
|
|
175 1.47597597597598 854.547542410158 6981.42835727391
|
|
176 1.48388388388388 801.218719111719 6511.89886317008
|
|
177 1.49179179179179 751.467487781265 6076.16409253498
|
|
178 1.4996996996997 705.036994563681 5671.63260610302
|
|
179 1.50760760760761 661.69003234469 5295.92379138848
|
|
180 1.51551551551552 621.207446369243 4946.84973398515
|
|
181 1.52342342342342 583.386676618842 4622.39873095187
|
|
182 1.53133133133133 548.040424590763 4320.72029007836
|
|
183 1.53923923923924 514.995433294821 4040.11147438888
|
|
184 1.54714714714715 484.091370339274 3779.00446518338
|
|
185 1.55505505505506 455.179804929136 3535.9552294146
|
|
186 1.56296296296296 428.123270458148 3309.63318841024
|
|
187 1.57087087087087 402.794405149551 3098.81179500935
|
|
188 1.57877877877878 379.075163899399 2902.35993521657
|
|
189 1.58668668668669 356.856095106868 2719.23407859331
|
|
190 1.59459459459459 336.035676845996 2548.47110890143
|
|
191 1.6025025025025 316.519707248382 2389.18177307615
|
|
192 1.61041041041041 298.22074443237 2240.54469251044
|
|
193 1.61831831831832 281.057591735779 2101.80088594889
|
|
194 1.62622622622623 264.954824390964 1972.24875807879
|
|
195 1.63413413413413 249.84235412668 1851.23951222237
|
|
196 1.64204204204204 235.655028494512 1738.17294942645
|
|
197 1.64994994994995 222.332262001657 1632.49361975761
|
|
198 1.65785785785786 209.817696389505 1533.68729478078
|
|
199 1.66576576576577 198.058887631262 1441.27773306197
|
|
200 1.67367367367367 187.007017434126 1354.82371312245
|
|
201 1.68158158158158 176.616627224384 1273.91631061008
|
|
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|
|
902 7.22502502502503 -0.000599325825023106 -0.0004939227506073
|
|
903 7.23293293293293 -0.000595434653473668 -0.000490204170857389
|
|
904 7.24084084084084 -0.000591572762610924 -0.000486517281169477
|
|
905 7.24874874874875 -0.000587739903019512 -0.000482861781922661
|
|
906 7.25665665665666 -0.00058393582764123 -0.000479237376579925
|
|
907 7.26456456456456 -0.00058016029175078 -0.00047564377165428
|
|
908 7.27247247247247 -0.000576413052931785 -0.000472080676675301
|
|
909 7.28038038038038 -0.000572693871053061 -0.00046854780415603
|
|
910 7.28828828828829 -0.000569002508245157 -0.000465044869560271
|
|
911 7.2961961961962 -0.000565338728877148 -0.000461571591270247
|
|
912 7.3041041041041 -0.00056170229953368 -0.000458127690554635
|
|
913 7.31201201201201 -0.000558092988992276 -0.000454712891536959
|
|
914 7.31991991991992 -0.000554510568200877 -0.000451326921164345
|
|
915 7.32782782782783 -0.000550954810255639 -0.000447969509176638
|
|
916 7.33573573573574 -0.000547425490378969 -0.000444640388075862
|
|
917 7.34364364364364 -0.000543922385897801 -0.000441339293096035
|
|
918 7.35155155155155 -0.000540445276222112 -0.000438065962173328
|
|
919 7.35945945945946 -0.000536993942823666 -0.000434820135916559
|
|
920 7.36736736736737 -0.000533568169215001 -0.000431601557578035
|
|
921 7.37527527527527 -0.000530167740928631 -0.000428409973024709
|
|
922 7.38318318318318 -0.000526792445496489 -0.000425245130709683
|
|
923 7.39109109109109 -0.000523442072429585 -0.000422106781644028
|
|
924 7.398998998999 -0.000520116413197886 -0.000418994679368922
|
|
925 7.40690690690691 -0.000516815261210423 -0.000415908579928116
|
|
926 7.41481481481481 -0.000513538411795604 -0.000412848241840702
|
|
927 7.42272272272272 -0.000510285662181746 -0.000409813426074199
|
|
928 7.43063063063063 -0.000507056811477821 -0.000406803896017946
|
|
929 7.43853853853854 -0.000503851660654406 -0.000403819417456791
|
|
930 7.44644644644645 -0.000500670012524845 -0.000400859758545088
|
|
931 7.45435435435435 -0.000497511671726614 -0.000397924689780988
|
|
932 7.46226226226226 -0.00049437644470288 -0.000395013983981015
|
|
933 7.47017017017017 -0.000491264139684276 -0.000392127416254945
|
|
934 7.47807807807808 -0.00048817456667086 -0.000389264763980959
|
|
935 7.48598598598599 -0.000485107537414273 -0.000386425806781087
|
|
936 7.49389389389389 -0.000482062865400096 -0.000383610326496924
|
|
937 7.5018018018018 -0.000479040365830386 -0.000380818107165631
|
|
938 7.50970970970971 -0.000476039855606414 -0.000378048934996201
|
|
939 7.51761761761762 -0.000473061153311579 -0.000375302598345997
|
|
940 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
|
|
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|
|
846 6.78218218218218 -0.000688471175636315 -0.000602894659825503
|
|
847 6.79009009009009 -0.00068372259739373 -0.000598082136442918
|
|
848 6.797997997998 -0.000679011904457516 -0.000593312962009477
|
|
849 6.80590590590591 -0.000674338755735595 -0.000588586705474846
|
|
850 6.81381381381381 -0.000669702813526263 -0.000583902940416572
|
|
851 6.82172172172172 -0.000665103743481799 -0.000579261244987857
|
|
852 6.82962962962963 -0.000660541214572486 -0.000574661201865921
|
|
853 6.83753753753754 -0.000656014899051038 -0.000570102398200958
|
|
854 6.84544544544545 -0.000651524472417428 -0.000565584425565672
|
|
855 6.85335335335335 -0.000647069613384112 -0.000561106879905388
|
|
856 6.86126126126126 -0.000642650003841647 -0.000556669361488738
|
|
857 6.86916916916917 -0.000638265328824696 -0.000552271474858904
|
|
858 6.87707707707708 -0.000633915276478415 -0.000547912828785424
|
|
859 6.88498498498499 -0.000629599538025221 -0.000543593036216544
|
|
860 6.89289289289289 -0.000625317807731934 -0.000539311714232126
|
|
861 6.9008008008008 -0.000621069782877287 -0.000535068483997084
|
|
862 6.90870870870871 -0.000616855163719808 -0.000530862970715361
|
|
863 6.91661661661662 -0.000612673653466056 -0.000526694803584436
|
|
864 6.92452452452453 -0.00060852495823922 -0.000522563615750346
|
|
865 6.93243243243243 -0.000604408787048074 -0.000518469044263235
|
|
866 6.94034034034034 -0.00060032485175627 -0.000514410730033401
|
|
867 6.94824824824825 -0.000596272867051989 -0.000510388317787862
|
|
868 6.95615615615616 -0.000592252550417933 -0.000506401456027418
|
|
869 6.96406406406406 -0.000588263622101641 -0.000502449796984197
|
|
870 6.97197197197197 -0.000584305805086156 -0.000498532996579709
|
|
871 6.97987987987988 -0.00058037882506101 -0.000494650714383365
|
|
872 6.98778778778779 -0.00057648241039354 -0.000490802613571485
|
|
873 6.9956956956957 -0.000572616292100528 -0.00048698836088678
|
|
874 7.0036036036036 -0.000568780203820152 -0.000483207626598292
|
|
875 7.01151151151151 -0.000564973881784261 -0.000479460084461808
|
|
876 7.01941941941942 -0.000561197064790956 -0.000475745411680722
|
|
877 7.02732732732733 -0.000557449494177479 -0.000472063288867351
|
|
878 7.03523523523523 -0.00055373091379341 -0.000468413400004708
|
|
879 7.04314314314314 -0.000550041069974155 -0.000464795432408696
|
|
880 7.05105105105105 -0.000546379711514748 -0.000461209076690764
|
|
881 7.05895895895896 -0.000542746589643924 -0.000457654026720972
|
|
882 7.06686686686687 -0.000539141457998507 -0.000454129979591503
|
|
883 7.07477477477477 -0.000535564072598063 -0.000450636635580579
|
|
884 7.08268268268268 -0.000532014191819854 -0.000447173698116811
|
|
885 7.09059059059059 -0.000528491576374058 -0.00044374087374395
|
|
886 7.0984984984985 -0.000524995989279277 -0.000440337872086051
|
|
887 7.10640640640641 -0.000521527195838313 -0.000436964405813039
|
|
888 7.11431431431431 -0.000518084963614219 -0.000433620190606677
|
|
889 7.12222222222222 -0.000514669062406608 -0.000430304945126921
|
|
890 7.13013013013013 -0.000511279264228243 -0.000427018390978673
|
|
891 7.13803803803804 -0.000507915343281872 -0.000423760252678913
|
|
892 7.14594594594595 -0.00050457707593733 -0.000420530257624215
|
|
893 7.15385385385385 -0.000501264240708896 -0.00041732813605864
|
|
894 7.16176176176176 -0.000497976618232898 -0.000414153621041995
|
|
895 7.16966966966967 -0.000494713991245575 -0.00041100644841847
|
|
896 7.17757757757758 -0.000491476144561178 -0.000407886356785627
|
|
897 7.18548548548549 -0.000488262865050318 -0.000404793087463759
|
|
898 7.19339339339339 -0.000485073941618556 -0.000401726384465598
|
|
899 7.2013013013013 -0.00048190916518523 -0.000398685994466371
|
|
900 7.20920920920921 -0.000478768328662518 -0.000395671666774214
|
|
901 7.21711711711712 -0.00047565122693473 -0.000392683153300917
|
|
902 7.22502502502503 -0.000472557656837838 -0.000389720208533014
|
|
903 7.23293293293293 -0.000469487417139224 -0.00038678258950321
|
|
904 7.24084084084084 -0.000466440308517658 -0.000383870055762132
|
|
905 7.24874874874875 -0.000463416133543501 -0.000380982369350415
|
|
906 7.25665665665666 -0.000460414696659119 -0.000378119294771106
|
|
907 7.26456456456456 -0.000457435804159516 -0.000375280598962386
|
|
908 7.27247247247247 -0.000454479264173195 -0.000372466051270623
|
|
909 7.28038038038038 -0.000451544886643206 -0.000369675423423708
|
|
910 7.28828828828829 -0.00044863248330843 -0.000366908489504736
|
|
911 7.2961961961962 -0.000445741867685046 -0.000364165025925958
|
|
912 7.3041041041041 -0.000442872855048225 -0.000361444811403057
|
|
913 7.31201201201201 -0.000440025262414007 -0.000358747626929716
|
|
914 7.31991991991992 -0.000437198908521391 -0.000356073255752471
|
|
915 7.32782782782783 -0.000434393613814616 -0.000353421483345872
|
|
916 7.33573573573574 -0.000431609200425641 -0.000350792097387915
|
|
917 7.34364364364364 -0.000428845492156814 -0.000348184887735768
|
|
918 7.35155155155155 -0.000426102314463736 -0.000345599646401776
|
|
919 7.35945945945946 -0.000423379494438315 -0.000343036167529741
|
|
920 7.36736736736737 -0.000420676860791998 -0.000340494247371479
|
|
921 7.37527527527527 -0.000417994243839195 -0.000337973684263644
|
|
922 7.38318318318318 -0.000415331475480885 -0.000335474278604826
|
|
923 7.39109109109109 -0.000412688389188397 -0.000332995832832908
|
|
924 7.398998998999 -0.000410064819987373 -0.000330538151402687
|
|
925 7.40690690690691 -0.00040746060444191 -0.000328101040763753
|
|
926 7.41481481481481 -0.000404875580638866 -0.000325684309338625
|
|
927 7.42272272272272 -0.000402309588172346 -0.000323287767501134
|
|
928 7.43063063063063 -0.000399762468128358 -0.000320911227555062
|
|
929 7.43853853853854 -0.000397234063069631 -0.000318554503713026
|
|
930 7.44644644644645 -0.000394724217020609 -0.000316217412075599
|
|
931 7.45435435435435 -0.000392232775452594 -0.000313899770610683
|
|
932 7.46226226226226 -0.000389759585269069 -0.000311601399133107
|
|
933 7.47017017017017 -0.000387304494791166 -0.000309322119284474
|
|
934 7.47807807807808 -0.000384867353743301 -0.000307061754513223
|
|
935 7.48598598598599 -0.000382448013238969 -0.000304820130054942
|
|
936 7.49389389389389 -0.000380046325766678 -0.000302597072912885
|
|
937 7.5018018018018 -0.000377662145176055 -0.000300392411838731
|
|
938 7.50970970970971 -0.000375295326664094 -0.000298205977313553
|
|
939 7.51761761761762 -0.000372945726761551 -0.000296037601529015
|
|
940 7.52552552552553 -0.000370613203319494 -0.000293887118368774
|
|
941 7.53343343343343 -0.000368297615495993 -0.000291754363390109
|
|
942 7.54134134134134 -0.000365998823742959 -0.000289639173805747
|
|
943 7.54924924924925 -0.000363716689793124 -0.000287541388465912
|
|
944 7.55715715715716 -0.000361451076647161 -0.000285460847840564
|
|
945 7.56506506506507 -0.000359201848560945 -0.00028339739400186
|
|
946 7.57297297297297 -0.000356968871032954 -0.0002813508706068
|
|
947 7.58088088088088 -0.000354752010791798 -0.000279321122880079
|
|
948 7.58878878878879 -0.000352551135783899 -0.000277307997597141
|
|
949 7.5966966966967 -0.000350366115161283 -0.000275311343067412
|
|
950 7.6046046046046 -0.000348196819269523 -0.000273331009117744
|
|
951 7.61251251251251 -0.000346043119635803 -0.000271366847076031
|
|
952 7.62042042042042 -0.000343904888957107 -0.000269418709755023
|
|
953 7.62832832832833 -0.000341782001088548 -0.000267486451436326
|
|
954 7.63623623623624 -0.000339674331031807 -0.000265569927854572
|
|
955 7.64414414414414 -0.000337581754923712 -0.000263668996181791
|
|
956 7.65205205205205 -0.000335504150024927 -0.000261783515011939
|
|
957 7.65995995995996 -0.000333441394708771 -0.000259913344345619
|
|
958 7.66786786786787 -0.000331393368450154 -0.00025805834557497
|
|
959 7.67577577577578 -0.000329359951814629 -0.000256218381468727
|
|
960 7.68368368368368 -0.00032734102644757 -0.000254393316157455
|
|
961 7.69159159159159 -0.000325336475063456 -0.000252583015118948
|
|
962 7.6994994994995 -0.000323346181435274 -0.000250787345163799
|
|
963 7.70740740740741 -0.000321370030384043 -0.000249006174421126
|
|
964 7.71531531531532 -0.000319407907768433 -0.000247239372324471
|
|
965 7.72322322322322 -0.000317459700474511 -0.00024548680959785
|
|
966 7.73113113113113 -0.000315525296405592 -0.000243748358241967
|
|
967 7.73903903903904 -0.000313604584472191 -0.000242023891520585
|
|
968 7.74694694694695 -0.000311697454582096 -0.000240313283947045
|
|
969 7.75485485485486 -0.00030980379763053 -0.000238616411270949
|
|
970 7.76276276276276 -0.000307923505490438 -0.000236933150464985
|
|
971 7.77067067067067 -0.000306056471002855 -0.000235263379711905
|
|
972 7.77857857857858 -0.000304202587967397 -0.000233606978391649
|
|
973 7.78648648648649 -0.000302361751132841 -0.000231963827068618
|
|
974 7.79439439439439 -0.000300533856187804 -0.00023033380747909
|
|
975 7.8023023023023 -0.000298718799751533 -0.000228716802518773
|
|
976 7.81021021021021 -0.000296916479364781 -0.00022711269623051
|
|
977 7.81811811811812 -0.000295126793480781 -0.000225521373792109
|
|
978 7.82602602602603 -0.000293349641456325 -0.000223942721504324
|
|
979 7.83393393393393 -0.000291584923542924 -0.000222376626778964
|
|
980 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 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
|
|
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790 6.33933933933934 -0.00102714833649554 -0.000957309134041133
|
|
791 6.34724724724725 -0.00101961009481047 -0.000949210932211783
|
|
792 6.35515515515516 -0.00101213558880043 -0.000941189522501062
|
|
793 6.36306306306306 -0.00100472421434934 -0.000933244109971758
|
|
794 6.37097097097097 -0.000997375373592915 -0.000925373908394334
|
|
795 6.37887887887888 -0.000990088474850179 -0.000917578140150712
|
|
796 6.38678678678679 -0.000982862932555759 -0.000909856036139029
|
|
797 6.39469469469469 -0.000975698167192903 -0.000902206835679338
|
|
798 6.4026026026026 -0.000968593605227258 -0.000894629786420275
|
|
799 6.41051051051051 -0.000961548679041368 -0.000887124144246663
|
|
800 6.41841841841842 -0.000954562826869908 -0.000879689173188063
|
|
801 6.42632632632633 -0.000947635492735633 -0.000872324145328256
|
|
802 6.43423423423423 -0.000940766126386043 -0.000865028340715658
|
|
803 6.44214214214214 -0.000933954183230753 -0.00085780104727466
|
|
804 6.45005005005005 -0.000927199124279545 -0.000850641560717872
|
|
805 6.45795795795796 -0.000920500416081144 -0.000843549184459303
|
|
806 6.46586586586587 -0.000913857530662637 -0.00083652322952842
|
|
807 6.47377377377377 -0.000907269945469599 -0.000829563014485122
|
|
808 6.48168168168168 -0.000900737143306875 -0.000822667865335604
|
|
809 6.48958958958959 -0.00089425861228002 -0.000815837115449096
|
|
810 6.4974974974975 -0.000887833845737405 -0.000809070105475501
|
|
811 6.5054054054054 -0.000881462342212959 -0.00080236618326388
|
|
812 6.51331331331331 -0.000875143605369564 -0.000795724703781823
|
|
813 6.52122122122122 -0.000868877143943076 -0.000789145029035675
|
|
814 6.52912912912913 -0.000862662471686972 -0.000782626527991605
|
|
815 6.53703703703704 -0.000856499107317632 -0.000776168576497534
|
|
816 6.54494494494494 -0.00085038657446021 -0.000769770557205887
|
|
817 6.55285285285285 -0.000844324401595139 -0.00076343185949719
|
|
818 6.56076076076076 -0.000838312122005221 -0.000757151879404482
|
|
819 6.56866866866867 -0.000832349273723316 -0.000750930019538554
|
|
820 6.57657657657658 -0.000826435399480619 -0.00074476568901399
|
|
821 6.58448448448448 -0.000820570046655518 -0.000738658303376018
|
|
822 6.59239239239239 -0.000814752767223025 -0.000732607284528152
|
|
823 6.6003003003003 -0.000808983117704786 -0.000726612060660638
|
|
824 6.60820820820821 -0.000803260659119639 -0.000720672066179661
|
|
825 6.61611611611612 -0.000797584956934739 -0.00071478674163735
|
|
826 6.62402402402402 -0.000791955581017233 -0.000708955533662538
|
|
827 6.63193193193193 -0.000786372105586471 -0.000703177894892288
|
|
828 6.63983983983984 -0.000780834109166773 -0.000697453283904181
|
|
829 6.64774774774775 -0.000775341174540702 -0.000691781165149336
|
|
830 6.65565565565566 -0.000769892888702892 -0.000686161008886194
|
|
831 6.66356356356356 -0.000764488842814377 -0.000680592291115012
|
|
832 6.67147147147147 -0.000759128632157443 -0.000675074493513102
|
|
833 6.67937937937938 -0.00075381185609099 -0.000669607103370786
|
|
834 6.68728728728729 -0.000748538118006393 -0.000664189613528059
|
|
835 6.6951951951952 -0.000743307025283866 -0.000658821522311969
|
|
836 6.7031031031031 -0.000738118189249314 -0.000653502333474682
|
|
837 6.71101101101101 -0.000732971225131676 -0.000648231556132256
|
|
838 6.71891891891892 -0.000727865752020748 -0.000643008704704096
|
|
839 6.72682682682683 -0.00072280139282548 -0.000637833298853078
|
|
840 6.73473473473473 -0.000717777774232747 -0.000632704863426364
|
|
841 6.74264264264264 -0.000712794526666584 -0.000627622928396869
|
|
842 6.75055055055055 -0.000707851284247878 -0.000622587028805389
|
|
843 6.75845845845846 -0.000702947684754526 -0.000617596704703393
|
|
844 6.76636636636637 -0.000698083369582024 -0.000612651501096444
|
|
845 6.77427427427427 -0.000693257983704526 -0.00060775096788828
|
|
846 6.78218218218218 -0.000688471175636315 -0.000602894659825503
|
|
847 6.79009009009009 -0.00068372259739373 -0.000598082136442918
|
|
848 6.797997997998 -0.000679011904457516 -0.000593312962009477
|
|
849 6.80590590590591 -0.000674338755735595 -0.000588586705474846
|
|
850 6.81381381381381 -0.000669702813526263 -0.000583902940416572
|
|
851 6.82172172172172 -0.000665103743481799 -0.000579261244987857
|
|
852 6.82962962962963 -0.000660541214572486 -0.000574661201865921
|
|
853 6.83753753753754 -0.000656014899051038 -0.000570102398200958
|
|
854 6.84544544544545 -0.000651524472417428 -0.000565584425565672
|
|
855 6.85335335335335 -0.000647069613384112 -0.000561106879905388
|
|
856 6.86126126126126 -0.000642650003841647 -0.000556669361488738
|
|
857 6.86916916916917 -0.000638265328824696 -0.000552271474858904
|
|
858 6.87707707707708 -0.000633915276478415 -0.000547912828785424
|
|
859 6.88498498498499 -0.000629599538025221 -0.000543593036216544
|
|
860 6.89289289289289 -0.000625317807731934 -0.000539311714232126
|
|
861 6.9008008008008 -0.000621069782877287 -0.000535068483997084
|
|
862 6.90870870870871 -0.000616855163719808 -0.000530862970715361
|
|
863 6.91661661661662 -0.000612673653466056 -0.000526694803584436
|
|
864 6.92452452452453 -0.00060852495823922 -0.000522563615750346
|
|
865 6.93243243243243 -0.000604408787048074 -0.000518469044263235
|
|
866 6.94034034034034 -0.00060032485175627 -0.000514410730033401
|
|
867 6.94824824824825 -0.000596272867051989 -0.000510388317787862
|
|
868 6.95615615615616 -0.000592252550417933 -0.000506401456027418
|
|
869 6.96406406406406 -0.000588263622101641 -0.000502449796984197
|
|
870 6.97197197197197 -0.000584305805086156 -0.000498532996579709
|
|
871 6.97987987987988 -0.00058037882506101 -0.000494650714383365
|
|
872 6.98778778778779 -0.00057648241039354 -0.000490802613571485
|
|
873 6.9956956956957 -0.000572616292100528 -0.00048698836088678
|
|
874 7.0036036036036 -0.000568780203820152 -0.000483207626598292
|
|
875 7.01151151151151 -0.000564973881784261 -0.000479460084461808
|
|
876 7.01941941941942 -0.000561197064790956 -0.000475745411680722
|
|
877 7.02732732732733 -0.000557449494177479 -0.000472063288867351
|
|
878 7.03523523523523 -0.00055373091379341 -0.000468413400004708
|
|
879 7.04314314314314 -0.000550041069974155 -0.000464795432408696
|
|
880 7.05105105105105 -0.000546379711514748 -0.000461209076690764
|
|
881 7.05895895895896 -0.000542746589643924 -0.000457654026720972
|
|
882 7.06686686686687 -0.000539141457998507 -0.000454129979591503
|
|
883 7.07477477477477 -0.000535564072598063 -0.000450636635580579
|
|
884 7.08268268268268 -0.000532014191819854 -0.000447173698116811
|
|
885 7.09059059059059 -0.000528491576374058 -0.00044374087374395
|
|
886 7.0984984984985 -0.000524995989279277 -0.000440337872086051
|
|
887 7.10640640640641 -0.000521527195838313 -0.000436964405813039
|
|
888 7.11431431431431 -0.000518084963614219 -0.000433620190606677
|
|
889 7.12222222222222 -0.000514669062406608 -0.000430304945126921
|
|
890 7.13013013013013 -0.000511279264228243 -0.000427018390978673
|
|
891 7.13803803803804 -0.000507915343281872 -0.000423760252678913
|
|
892 7.14594594594595 -0.00050457707593733 -0.000420530257624215
|
|
893 7.15385385385385 -0.000501264240708896 -0.00041732813605864
|
|
894 7.16176176176176 -0.000497976618232898 -0.000414153621041995
|
|
895 7.16966966966967 -0.000494713991245575 -0.00041100644841847
|
|
896 7.17757757757758 -0.000491476144561178 -0.000407886356785627
|
|
897 7.18548548548549 -0.000488262865050318 -0.000404793087463759
|
|
898 7.19339339339339 -0.000485073941618556 -0.000401726384465598
|
|
899 7.2013013013013 -0.00048190916518523 -0.000398685994466371
|
|
900 7.20920920920921 -0.000478768328662518 -0.000395671666774214
|
|
901 7.21711711711712 -0.00047565122693473 -0.000392683153300917
|
|
902 7.22502502502503 -0.000472557656837838 -0.000389720208533014
|
|
903 7.23293293293293 -0.000469487417139224 -0.00038678258950321
|
|
904 7.24084084084084 -0.000466440308517658 -0.000383870055762132
|
|
905 7.24874874874875 -0.000463416133543501 -0.000380982369350415
|
|
906 7.25665665665666 -0.000460414696659119 -0.000378119294771106
|
|
907 7.26456456456456 -0.000457435804159516 -0.000375280598962386
|
|
908 7.27247247247247 -0.000454479264173195 -0.000372466051270623
|
|
909 7.28038038038038 -0.000451544886643206 -0.000369675423423708
|
|
910 7.28828828828829 -0.00044863248330843 -0.000366908489504736
|
|
911 7.2961961961962 -0.000445741867685046 -0.000364165025925958
|
|
912 7.3041041041041 -0.000442872855048225 -0.000361444811403057
|
|
913 7.31201201201201 -0.000440025262414007 -0.000358747626929716
|
|
914 7.31991991991992 -0.000437198908521391 -0.000356073255752471
|
|
915 7.32782782782783 -0.000434393613814616 -0.000353421483345872
|
|
916 7.33573573573574 -0.000431609200425641 -0.000350792097387915
|
|
917 7.34364364364364 -0.000428845492156814 -0.000348184887735768
|
|
918 7.35155155155155 -0.000426102314463736 -0.000345599646401776
|
|
919 7.35945945945946 -0.000423379494438315 -0.000343036167529741
|
|
920 7.36736736736737 -0.000420676860791998 -0.000340494247371479
|
|
921 7.37527527527527 -0.000417994243839195 -0.000337973684263644
|
|
922 7.38318318318318 -0.000415331475480885 -0.000335474278604826
|
|
923 7.39109109109109 -0.000412688389188397 -0.000332995832832908
|
|
924 7.398998998999 -0.000410064819987373 -0.000330538151402687
|
|
925 7.40690690690691 -0.00040746060444191 -0.000328101040763753
|
|
926 7.41481481481481 -0.000404875580638866 -0.000325684309338625
|
|
927 7.42272272272272 -0.000402309588172346 -0.000323287767501134
|
|
928 7.43063063063063 -0.000399762468128358 -0.000320911227555062
|
|
929 7.43853853853854 -0.000397234063069631 -0.000318554503713026
|
|
930 7.44644644644645 -0.000394724217020609 -0.000316217412075599
|
|
931 7.45435435435435 -0.000392232775452594 -0.000313899770610683
|
|
932 7.46226226226226 -0.000389759585269069 -0.000311601399133107
|
|
933 7.47017017017017 -0.000387304494791166 -0.000309322119284474
|
|
934 7.47807807807808 -0.000384867353743301 -0.000307061754513223
|
|
935 7.48598598598599 -0.000382448013238969 -0.000304820130054942
|
|
936 7.49389389389389 -0.000380046325766678 -0.000302597072912885
|
|
937 7.5018018018018 -0.000377662145176055 -0.000300392411838731
|
|
938 7.50970970970971 -0.000375295326664094 -0.000298205977313553
|
|
939 7.51761761761762 -0.000372945726761551 -0.000296037601529015
|
|
940 7.52552552552553 -0.000370613203319494 -0.000293887118368774
|
|
941 7.53343343343343 -0.000368297615495993 -0.000291754363390109
|
|
942 7.54134134134134 -0.000365998823742959 -0.000289639173805747
|
|
943 7.54924924924925 -0.000363716689793124 -0.000287541388465912
|
|
944 7.55715715715716 -0.000361451076647161 -0.000285460847840564
|
|
945 7.56506506506507 -0.000359201848560945 -0.00028339739400186
|
|
946 7.57297297297297 -0.000356968871032954 -0.0002813508706068
|
|
947 7.58088088088088 -0.000354752010791798 -0.000279321122880079
|
|
948 7.58878878878879 -0.000352551135783899 -0.000277307997597141
|
|
949 7.5966966966967 -0.000350366115161283 -0.000275311343067412
|
|
950 7.6046046046046 -0.000348196819269523 -0.000273331009117744
|
|
951 7.61251251251251 -0.000346043119635803 -0.000271366847076031
|
|
952 7.62042042042042 -0.000343904888957107 -0.000269418709755023
|
|
953 7.62832832832833 -0.000341782001088548 -0.000267486451436326
|
|
954 7.63623623623624 -0.000339674331031807 -0.000265569927854572
|
|
955 7.64414414414414 -0.000337581754923712 -0.000263668996181791
|
|
956 7.65205205205205 -0.000335504150024927 -0.000261783515011939
|
|
957 7.65995995995996 -0.000333441394708771 -0.000259913344345619
|
|
958 7.66786786786787 -0.000331393368450154 -0.00025805834557497
|
|
959 7.67577577577578 -0.000329359951814629 -0.000256218381468727
|
|
960 7.68368368368368 -0.00032734102644757 -0.000254393316157455
|
|
961 7.69159159159159 -0.000325336475063456 -0.000252583015118948
|
|
962 7.6994994994995 -0.000323346181435274 -0.000250787345163799
|
|
963 7.70740740740741 -0.000321370030384043 -0.000249006174421126
|
|
964 7.71531531531532 -0.000319407907768433 -0.000247239372324471
|
|
965 7.72322322322322 -0.000317459700474511 -0.00024548680959785
|
|
966 7.73113113113113 -0.000315525296405592 -0.000243748358241967
|
|
967 7.73903903903904 -0.000313604584472191 -0.000242023891520585
|
|
968 7.74694694694695 -0.000311697454582096 -0.000240313283947045
|
|
969 7.75485485485486 -0.00030980379763053 -0.000238616411270949
|
|
970 7.76276276276276 -0.000307923505490438 -0.000236933150464985
|
|
971 7.77067067067067 -0.000306056471002855 -0.000235263379711905
|
|
972 7.77857857857858 -0.000304202587967397 -0.000233606978391649
|
|
973 7.78648648648649 -0.000302361751132841 -0.000231963827068618
|
|
974 7.79439439439439 -0.000300533856187804 -0.00023033380747909
|
|
975 7.8023023023023 -0.000298718799751533 -0.000228716802518773
|
|
976 7.81021021021021 -0.000296916479364781 -0.00022711269623051
|
|
977 7.81811811811812 -0.000295126793480781 -0.000225521373792109
|
|
978 7.82602602602603 -0.000293349641456325 -0.000223942721504324
|
|
979 7.83393393393393 -0.000291584923542924 -0.000222376626778964
|
|
980 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 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
|
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|
|
953 7.62832832832833 -0.00026902007559715 -0.000210638238075214
|
|
954 7.63623623623624 -0.000267360348039944 -0.000209127829493146
|
|
955 7.64414414414414 -0.000265712515930777 -0.000207629725017641
|
|
956 7.65205205205205 -0.000264076482412791 -0.00020614381282496
|
|
957 7.65995995995996 -0.000262452151509003 -0.000204669982207437
|
|
958 7.66786786786787 -0.000260839428113519 -0.000203208123561433
|
|
959 7.67577577577578 -0.000259238217982856 -0.000201758128375418
|
|
960 7.68368368368368 -0.000257648427727352 -0.000200319889218197
|
|
961 7.69159159159159 -0.000256069964802667 -0.000198893299727268
|
|
962 7.6994994994995 -0.000254502737501377 -0.000197478254597316
|
|
963 7.70740740740741 -0.000252946654944661 -0.000196074649568838
|
|
964 7.71531531531532 -0.000251401627074077 -0.000194682381416896
|
|
965 7.72322322322322 -0.000249867564643418 -0.000193301347940003
|
|
966 7.73113113113113 -0.000248344379210669 -0.000191931447949135
|
|
967 7.73903903903904 -0.000246831983130042 -0.000190572581256865
|
|
968 7.74694694694695 -0.000245330289544095 -0.000189224648666629
|
|
969 7.75485485485486 -0.000243839212375941 -0.00018788755196211
|
|
970 7.76276276276276 -0.000242358666321539 -0.00018656119389674
|
|
971 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 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 0.890790790790791 189207.518932258 2549565.75436486
|
|
102 0.898698698698699 170162.687598702 2272795.87068303
|
|
103 0.906606606606607 153176.877957648 2028109.99635351
|
|
104 0.914514514514514 138012.363011622 1811556.2972074
|
|
105 0.922422422422422 124460.580162332 1619697.87217732
|
|
106 0.93033033033033 112338.346034303 1449542.04381796
|
|
107 0.938238238238238 101484.589036762 1298479.84657727
|
|
108 0.946146146146146 91757.5252847829 1164234.17282827
|
|
109 0.954054054054054 83032.2146897129 1044815.27952338
|
|
110 0.961961961961962 75198.4434602021 938482.561290912
|
|
111 0.96986986986987 68158.8872163353 843711.665667677
|
|
112 0.977777777777778 61827.5156491762 759166.168558971
|
|
113 0.985685685685686 56128.2053549206 683673.147557731
|
|
114 0.993593593593594 50993.5323020092 616202.091252146
|
|
115 1.0015015015015 46363.7194886738 555846.667259746
|
|
116 1.00940940940941 42185.7188325123 501808.943057678
|
|
117 1.01731731731732 38412.4092989407 453385.713899898
|
|
118 1.02522522522523 35001.8958023091 409956.643021979
|
|
119 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 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 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 497.641909176387 4112.33598556976
|
|
174 1.46806806806807 466.24115985233 3832.7984166047
|
|
175 1.47597597597598 436.969494220789 3573.59249236075
|
|
176 1.48388388388388 409.672449357834 3333.14293197643
|
|
177 1.49179179179179 384.207499789506 3110.00393321336
|
|
178 1.4996996996997 360.443078772707 2902.84792476213
|
|
179 1.50760760760761 338.257684383813 2710.45534772519
|
|
180 1.51551551551552 317.539062674314 2531.70536738478
|
|
181 1.52342342342342 298.183460894758 2365.56742631493
|
|
182 1.53133133133133 280.0949444557 2211.09355880235
|
|
183 1.53923923923924 263.184771895225 2067.41139451518
|
|
184 1.54714714714715 247.370822663648 1933.71778650183
|
|
185 1.55505505505506 232.577073023604 1809.27300500672
|
|
186 1.56296296296296 218.733115803345 1693.39544433348
|
|
187 1.57087087087087 205.773720137566 1585.45679514077
|
|
188 1.57877877877878 193.638427688053 1484.87763918494
|
|
189 1.58668668668669 182.271182159559 1391.1234276819
|
|
190 1.59459459459459 171.619989218398 1303.70080819908
|
|
191 1.6025025025025 161.63660418513 1222.1542683502
|
|
192 1.61041041041041 152.276245111482 1146.06306759117
|
|
193 1.61831831831832 143.497329067644 1075.03843113943
|
|
194 1.62622622622623 135.26122966163 1008.72098249292
|
|
195 1.63413413413413 127.532053989538 946.778393236328
|
|
196 1.64204204204204 120.276437376048 888.903230816903
|
|
197 1.64994994994995 113.463354410027 834.81098677102
|
|
198 1.65785785785786 107.063944912116 784.238269507212
|
|
199 1.66576576576577 101.051353590964 736.941147217922
|
|
200 1.67367367367367 95.4005822535441 692.693627817637
|
|
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|
896 7.17757757757758 -0.000386924210859131 -0.000321330970922551
|
|
897 7.18548548548549 -0.000384392815441302 -0.000318891284713019
|
|
898 7.19339339339339 -0.000381880629696463 -0.000316472592133447
|
|
899 7.2013013013013 -0.000379387488404336 -0.000314074692365941
|
|
900 7.20920920920921 -0.000376913227924382 -0.000311697386690453
|
|
901 7.21711711711712 -0.000374457686179307 -0.000309340478461279
|
|
902 7.22502502502503 -0.000372020702638744 -0.000307003773083833
|
|
903 7.23293293293293 -0.000369602118303131 -0.000304687077991696
|
|
904 7.24084084084084 -0.000367201775687757 -0.000302390202623935
|
|
905 7.24874874874875 -0.000364819518806996 -0.000300112958402684
|
|
906 7.25665665665666 -0.000362455193158708 -0.000297855158710996
|
|
907 7.26456456456456 -0.000360108645708823 -0.000295616618870948
|
|
908 7.27247247247247 -0.000357779724876091 -0.000293397156122005
|
|
909 7.28038038038038 -0.000355468280517005 -0.00029119658959964
|
|
910 7.28828828828829 -0.00035317416391089 -0.000289014740314203
|
|
911 7.2961961961962 -0.000350897227745163 -0.00028685143113004
|
|
912 7.3041041041041 -0.000348637326100747 -0.00028470648674485
|
|
913 7.31201201201201 -0.000346394314437662 -0.000282579733669295
|
|
914 7.31991991991992 -0.00034416804958076 -0.000280471000206841
|
|
915 7.32782782782783 -0.000341958389705633 -0.000278380116433837
|
|
916 7.33573573573574 -0.000339765194324669 -0.000276306914179827
|
|
917 7.34364364364364 -0.00033758832427326 -0.000274251227008093
|
|
918 7.35155155155155 -0.000335427641696179 -0.00027221289019643
|
|
919 7.35945945945946 -0.000333283010034087 -0.000270191740718136
|
|
920 7.36736736736737 -0.000331154294010203 -0.000268187617223236
|
|
921 7.37527527527527 -0.000329041359617119 -0.000266200360019916
|
|
922 7.38318318318318 -0.00032694407410376 -0.000264229811056179
|
|
923 7.39109109109109 -0.000324862305962487 -0.000262275813901716
|
|
924 7.398998998999 -0.000322795924916343 -0.000260338213729984
|
|
925 7.40690690690691 -0.000320744801906446 -0.000258416857300502
|
|
926 7.41481481481481 -0.000318708809079509 -0.00025651159294134
|
|
927 7.42272272272272 -0.000316687819775509 -0.000254622270531829
|
|
928 7.43063063063063 -0.000314681708515486 -0.000252748741485458
|
|
929 7.43853853853854 -0.000312690350989478 -0.000250890858732982
|
|
930 7.44644644644645 -0.000310713624044588 -0.000249048476705714
|
|
931 7.45435435435435 -0.000308751405673186 -0.000247221451319029
|
|
932 7.46226226226226 -0.000306803575001236 -0.000245409639956043
|
|
933 7.47017017017017 -0.00030487001227675 -0.000243612901451491
|
|
934 7.47807807807808 -0.000302950598858378 -0.000241831096075792
|
|
935 7.48598598598599 -0.000301045217204112 -0.000240064085519301
|
|
936 7.49389389389389 -0.000299153750860123 -0.000238311732876736
|
|
937 7.5018018018018 -0.000297276084449712 -0.000236573902631795
|
|
938 7.50970970970971 -0.000295412103662391 -0.000234850460641949
|
|
939 7.51761761761762 -0.000293561695243073 -0.000233141274123407
|
|
940 7.52552552552553 -0.000291724746981394 -0.000231446211636265
|
|
941 7.53343343343343 -0.000289901147701136 -0.000229765143069818
|
|
942 7.54134134134134 -0.000288090787249778 -0.000228097939628044
|
|
943 7.54924924924925 -0.000286293556488156 -0.000226444473815266
|
|
944 7.55715715715716 -0.000284509347280234 -0.000224804619421964
|
|
945 7.56506506506507 -0.000282738052482992 -0.000223178251510766
|
|
946 7.57297297297297 -0.000280979565936415 -0.00022156524640259
|
|
947 7.58088088088088 -0.000279233782453606 -0.000219965481662957
|
|
948 7.58878878878879 -0.000277500597810987 -0.000218378836088451
|
|
949 7.5966966966967 -0.000275779908738626 -0.000216805189693346
|
|
950 7.6046046046046 -0.000274071612910655 -0.000215244423696379
|
|
951 7.61251251251251 -0.000272375608935796 -0.00021369642050768
|
|
952 7.62042042042042 -0.000270691796347995 -0.000212161063715855
|
|
953 7.62832832832833 -0.00026902007559715 -0.000210638238075214
|
|
954 7.63623623623624 -0.000267360348039944 -0.000209127829493146
|
|
955 7.64414414414414 -0.000265712515930777 -0.000207629725017641
|
|
956 7.65205205205205 -0.000264076482412791 -0.00020614381282496
|
|
957 7.65995995995996 -0.000262452151509003 -0.000204669982207437
|
|
958 7.66786786786787 -0.000260839428113519 -0.000203208123561433
|
|
959 7.67577577577578 -0.000259238217982856 -0.000201758128375418
|
|
960 7.68368368368368 -0.000257648427727352 -0.000200319889218197
|
|
961 7.69159159159159 -0.000256069964802667 -0.000198893299727268
|
|
962 7.6994994994995 -0.000254502737501377 -0.000197478254597316
|
|
963 7.70740740740741 -0.000252946654944661 -0.000196074649568838
|
|
964 7.71531531531532 -0.000251401627074077 -0.000194682381416896
|
|
965 7.72322322322322 -0.000249867564643418 -0.000193301347940003
|
|
966 7.73113113113113 -0.000248344379210669 -0.000191931447949135
|
|
967 7.73903903903904 -0.000246831983130042 -0.000190572581256865
|
|
968 7.74694694694695 -0.000245330289544095 -0.000189224648666629
|
|
969 7.75485485485486 -0.000243839212375941 -0.00018788755196211
|
|
970 7.76276276276276 -0.000242358666321539 -0.00018656119389674
|
|
971 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 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 0.890790790790791 189207.518932258 2549565.75436486
|
|
102 0.898698698698699 170162.687598702 2272795.87068303
|
|
103 0.906606606606607 153176.877957648 2028109.99635351
|
|
104 0.914514514514514 138012.363011622 1811556.2972074
|
|
105 0.922422422422422 124460.580162332 1619697.87217732
|
|
106 0.93033033033033 112338.346034303 1449542.04381796
|
|
107 0.938238238238238 101484.589036762 1298479.84657727
|
|
108 0.946146146146146 91757.5252847829 1164234.17282827
|
|
109 0.954054054054054 83032.2146897129 1044815.27952338
|
|
110 0.961961961961962 75198.4434602021 938482.561290912
|
|
111 0.96986986986987 68158.8872163353 843711.665667677
|
|
112 0.977777777777778 61827.5156491762 759166.168558971
|
|
113 0.985685685685686 56128.2053549206 683673.147557731
|
|
114 0.993593593593594 50993.5323020092 616202.091252146
|
|
115 1.0015015015015 46363.7194886738 555846.667259746
|
|
116 1.00940940940941 42185.7188325123 501808.943057678
|
|
117 1.01731731731732 38412.4092989407 453385.713899898
|
|
118 1.02522522522523 35001.8958023091 409956.643021979
|
|
119 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
|
|
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