2012 lines
122 KiB
Plaintext
2012 lines
122 KiB
Plaintext
# DATE: 2020-06-25 UNITS: metal
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# Pair potential beck for atom types 1 1: i,r,energy,force
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beck_1_1
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N 1000 R 0.5 8
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1 0.5 44.5049513372107 195.378072520348
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2 0.507507507507508 43.0620563926594 189.043934193975
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3 0.515015015015015 41.6659399272555 182.915157558886
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4 0.522522522522523 40.3150853181574 176.985084137332
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5 0.53003003003003 39.0080251161905 171.247271355917
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6 0.537537537537538 37.7433394513696 165.695485544176
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7 0.545045045045045 36.5196544901281 160.323695160164
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8 0.552552552552553 35.3356409425767 155.126064235702
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9 0.56006006006006 34.1900126181692 150.096946034174
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10 0.567567567567568 33.0815250282076 145.230876913985
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11 0.575075075075075 32.0089740336644 140.522570391026
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12 0.582582582582583 30.9711945368562 135.966911393687
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13 0.59009009009009 29.9670592155426 131.558950704198
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14 0.597597597597598 28.9954772980782 127.293899580236
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15 0.605105105105105 28.0553933782831 123.167124550972
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16 0.612612612612613 27.1457862687459 119.174142381905
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17 0.62012012012012 26.2656678913116 115.310615202993
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18 0.627627627627628 25.4140822035483 111.572345794809
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19 0.635135135135135 24.5901041600274 107.955273027579
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20 0.642642642642643 23.7928387072847 104.455467448155
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21 0.65015015015015 23.0214198113745 101.069127010126
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22 0.657657657657658 22.2750095169553 97.7925729424101
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23 0.665165165165165 21.5527970368873 94.6222457518583
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24 0.672672672672673 20.8539978713508 91.5547013555004
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25 0.68018018018018 20.1778529555284 88.5866073382435
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26 0.687687687687688 19.5236278349241 85.7147393319451
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27 0.695195195195195 18.8906118674238 82.9359775119254
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28 0.702702702702703 18.2781174512286 80.2473032071089
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29 0.71021021021021 17.6854792778237 77.6457956201075
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30 0.717717717717718 17.1120536091683 75.1286286536796
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31 0.725225225225225 16.5572175783241 72.6930678401129
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32 0.732732732732733 16.0203685127588 70.3364673701912
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33 0.74024024024024 15.5009232795928 68.0562672185154
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34 0.747747747747748 14.9983176520741 65.8499903620512
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35 0.755255255255255 14.5120056965956 63.7152400888799
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36 0.762762762762763 14.041459179587 61.6496973942242
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37 0.77027027027027 13.5861669936376 59.6511184609199
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38 0.777777777777778 13.145634602226 57.7173322215914
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39 0.785285285285285 12.7193835024535 55.8462379998808
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40 0.792792792792793 12.3069507051968 54.0358032281678
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41 0.8003003003003 11.9078882321165 52.2840612392959
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42 0.807807807807808 11.5217626289731 50.5891091299072
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43 0.815315315315315 11.1481544947232 48.9491056930597
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44 0.822822822822823 10.7866580258827 47.3622694178831
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45 0.83033033033033 10.4368805756641 45.826876554095
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46 0.837837837837838 10.0984422274061 44.341259239276
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47 0.845345345345345 9.77097538183476 42.9038036868676
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48 0.852852852852853 9.45412435770556 41.5129484329222
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49 0.86036036036036 9.14754500539421 40.167182639701
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50 0.867867867867868 8.85090433301507 38.8650444542751
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51 0.875375375375375 8.56388014466178 37.6051194203462
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52 0.882882882882883 8.28616069037667 36.3860389415608
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53 0.89039039039039 8.0174443274689 35.206478794648
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54 0.897897897897898 7.75743919281323 34.0651576907647
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55 0.905405405405405 7.50586288577341 32.9608358834858
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56 0.912912912912913 7.26244216140585 31.8923138219252
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57 0.92042042042042 7.02691263361001 30.8584308475255
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58 0.927927927927928 6.79901848790341 29.8580639330999
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59 0.935435435435436 6.57851220350873 28.8901264627556
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60 0.942942942942943 6.36515428445156 27.953567051374
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61 0.950450450450451 6.15871299937631 27.0473684023641
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62 0.957957957957958 5.95896412979786 26.1705462024489
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63 0.965465465465466 5.76569072651528 25.3221480522836
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64 0.972972972972973 5.57868287392318 24.5012524317442
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65 0.980480480480481 5.39773746196447 23.706967698761
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66 0.987987987987988 5.22265796547694 22.9384311206117
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67 0.995495495495496 5.05325423069377 22.1948079366195
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68 1.003003003003 4.88934226866632 21.4752904512396
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69 1.01051051051051 4.73074405538443 20.7790971565469
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70 1.01801801801802 4.57728733837735 20.1054718831747
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71 1.02552552552553 4.42880544958515 19.4536829787784
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72 1.03303303303303 4.28513712429721 18.823022513135
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73 1.04054054054054 4.1461263259612 18.2128055090129
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74 1.04804804804805 4.01162207667218 17.6223691979767
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75 1.05555555555556 3.88147829315774 17.0510723003199
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76 1.06306306306306 3.75555362808086 16.4982943283421
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77 1.07057057057057 3.63371131648824 15.9634349122139
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78 1.07807807807808 3.51581902723712 15.4459131476978
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79 1.08558558558559 3.40174871923938 14.9451669650163
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80 1.09309309309309 3.2913765023666 14.4606525181819
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81 1.1006006006006 3.18458250286492 13.9918435941245
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82 1.10810810810811 3.08125073313372 13.5382310409765
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83 1.11561561561562 2.98126896572637 13.0993222148923
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84 1.12312312312312 2.88452861143639 12.6746404448032
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85 1.13063063063063 2.79092460133639 12.2637245145248
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86 1.13813813813814 2.70035527264179 11.8661281616552
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87 1.14564564564565 2.61272225827517 11.4814195927201
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88 1.15315315315315 2.52793038001141 11.1091810140365
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89 1.16066066066066 2.44588754508743 10.749008177787
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90 1.16816816816817 2.36650464616424 10.4005099428114
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91 1.17567567567568 2.28969546453261 10.0633078496373
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92 1.18318318318318 2.21537657645717 9.73703570928969
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93 1.19069069069069 2.14346726255724 9.42133920543152
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94 1.1981981981982 2.07388942012593 9.11587550940431
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95 1.20570570570571 2.0065674782921 8.82031290774932
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96 1.21321321321321 1.94142831593328 8.53433044180582
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97 1.22072072072072 1.87840118225009 8.25761755899411
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98 1.22822822822823 1.81741761991604 7.98987377540511
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99 1.23573573573574 1.75841139071912 7.73080834932948
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100 1.24324324324324 1.70131840361446 7.48013996537198
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101 1.25075075075075 1.64607664510977 7.23759642880778
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102 1.25825825825826 1.5926261119081 7.00291436984862
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103 1.26576576576577 1.54090874573455 6.77583895749771
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104 1.27327327327327 1.49086837027624 6.55612362268239
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105 1.28078078078078 1.44245063016699 6.34352979036382
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106 1.28828828828829 1.39560293195033 6.13782662033266
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107 1.2957957957958 1.35027438695688 5.93879075640922
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108 1.3033033033033 1.30641575603385 5.74620608377543
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109 1.31081081081081 1.26397939606665 5.55986349417524
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110 1.31831831831832 1.2229192082346 5.37956065872813
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111 1.32582582582583 1.18319058794438 5.20510180810909
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112 1.33333333333333 1.14475037638689 5.03629751985614
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113 1.34084084084084 1.10755681366493 4.87296451257435
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114 1.34834834834835 1.07156949344057 4.71492544681276
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115 1.35585585585586 1.03674931905327 4.56200873239791
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116 1.36336336336336 1.00305846106063 4.41404834201454
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117 1.37087087087087 0.970460316156092 4.27088363083106
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118 1.37837837837838 0.938919467418577 4.13235916197373
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119 1.38588588588589 0.908401645851078 3.99832453765983
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120 1.39339339339339 0.878873693166357 3.86863423580666
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121 1.4009009009009 0.850303525779283 3.74314745193842
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122 1.40840840840841 0.822660099966715 3.6217279462195
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123 1.41591591591592 0.795913378157072 3.50424389544792
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124 1.42342342342342 0.770034296312939 3.39056774984798
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125 1.43093093093093 0.744994732371277 3.2805760945066
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126 1.43843843843844 0.720767475706938 3.17414951530285
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127 1.44594594594595 0.697326197586323 3.07117246918484
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128 1.45345345345345 0.674645422579041 2.97153315865311
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129 1.46096096096096 0.652700500896534 2.8751234103142
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130 1.46846846846847 0.63146758162759 2.78183855737216
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131 1.47597597597598 0.610923586841683 2.69157732593071
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132 1.48348348348348 0.591046186531971 2.60424172498211
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133 1.49099099099099 0.571813774370744 2.51973693996345
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134 1.4984984984985 0.553205444250974 2.43797122976463
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135 1.50600600600601 0.535200967588468 2.358855827076
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136 1.51351351351351 0.517780771359969 2.28230484196757
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137 1.52102102102102 0.500925916853336 2.20823516859479
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138 1.52852852852853 0.484618079106703 2.13656639492969
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139 1.53603603603604 0.468839527014301 2.06722071541922
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140 1.54354354354354 0.453573104077291 2.00012284647578
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141 1.55105105105105 0.43880220977872 1.93519994470833
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142 1.55855855855856 0.424510781562344 1.87238152780495
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143 1.56606606606607 0.410683277395745 1.81159939798103
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144 1.57357357357357 0.397304658898792 1.75278756790992
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145 1.58108108108108 0.38436037501911 1.69588218905539
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146 1.58858858858859 0.371836346236822 1.64082148232818
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147 1.5960960960961 0.359718949281406 1.58754567099115
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148 1.6036036036036 0.347995002344045 1.53599691574022
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149 1.61111111111111 0.336651750769421 1.48611925189046
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150 1.61861861861862 0.325676853211393 1.43785852859908
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151 1.62612612612613 0.315058368237517 1.39116235005933
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152 1.63363363363363 0.304784741367861 1.34598001860129
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153 1.64114114114114 0.294844792534025 1.30226247963786
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154 1.64864864864865 0.28522770394474 1.2599622683959
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155 1.65615615615616 0.275923008344863 1.21903345837489
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156 1.66366366366366 0.266920577655016 1.17943161147683
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157 1.67117117117117 0.258210611979515 1.1411137297534
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158 1.67867867867868 0.249783628970654 1.10403820871779
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159 1.68618618618619 0.241630453537786 1.06816479217053
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160 1.69369369369369 0.233742207890025 1.03345452849016
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161 1.7012012012012 0.226110301901737 0.999869728341343
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162 1.70870870870871 0.218726423790369 0.967373923754305
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163 1.71621621621622 0.211582531096483 0.935931828531285
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164 1.72372372372372 0.204670841956182 0.905509299936835
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165 1.73123123123123 0.197983826656469 0.876073301630403
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166 1.73873873873874 0.19151419946435 0.847591867800892
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167 1.74624624624625 0.185254910720798 0.820034068464209
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168 1.75375375375375 0.17919913919102 0.793369975886107
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169 1.76126126126126 0.173340284662668 0.767570632093789
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170 1.76876876876877 0.167671960784006 0.742608017441016
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171 1.77627627627628 0.162187988134211 0.718455020192502
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172 1.78378378378378 0.156882387518301 0.695085407094574
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173 1.79129129129129 0.151749373479408 0.672473794900094
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174 1.7987987987988 0.146783348021333 0.650595622816711
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175 1.80630630630631 0.141978894534583 0.629427125848471
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176 1.81381381381381 0.137330771919279 0.608945309001843
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177 1.82132132132132 0.132833908898554 0.589127922328112
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178 1.82882882882883 0.128483398516273 0.56995343677501
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179 1.83633633633634 0.124274492813081 0.551401020821346
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180 1.84384384384384 0.120202597675021 0.53345051786925
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181 1.85135135135135 0.116263267849098 0.516082424369442
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182 1.85885885885886 0.112452202120403 0.499277868655765
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183 1.86636636636637 0.108765238645541 0.48301859046598
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184 1.87387387387387 0.1051983504373 0.46728692112656
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185 1.88138138138138 0.10174764099566 0.452065764379956
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186 1.88888888888889 0.0984093400803969 0.43733857783349
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187 1.8963963963964 0.0951797996206826 0.423089355009721
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188 1.9039039039039 0.0920554897572524 0.409302607978779
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189 1.91141141141141 0.08903299501283 0.395963350553786
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190 1.91891891891892 0.08610901058666 0.383057082031106
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191 1.92642642642643 0.0832803387691188 0.37056977145776
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192 1.93393393393393 0.0805438854725136 0.358487842408896
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193 1.94144144144144 0.0778966568743014 0.346798158258785
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194 1.94894894894895 0.0753357561690854 0.335488007929336
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195 1.95645645645646 0.072858380425858 0.324545092100632
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196 1.96396396396396 0.0704618175470837 0.313957509868519
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197 1.97147147147147 0.0681434433263155 0.303713745834739
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198 1.97897897897898 0.0659007186011536 0.293802657615581
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199 1.98648648648649 0.0637311864984552 0.284213463755488
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200 1.99399399399399 0.0616324697688025 0.274935732032461
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201 2.0015015015015 0.0596022682073382 0.265959368142591
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202 2.00900900900901 0.0576383561581675 0.25727460475139
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203 2.01651651651652 0.0557385800996172 0.248871990900042
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204 2.02402402402402 0.0539008563077312 0.240742381755065
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205 2.03153153153153 0.0521231685954678 0.232876928690246
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206 2.03903903903904 0.0504035661251409 0.225267069690059
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207 2.04654654654655 0.0487401612917363 0.21790452006417
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208 2.05405405405405 0.047131127674801 0.210781263462914
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209 2.06156156156156 0.0455746980566853 0.203889543183992
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210 2.06906906906907 0.0440691625049869 0.197221853760952
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211 2.07657657657658 0.0426128665171147 0.190770932824309
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212 2.08408408408408 0.0412042092249597 0.18452975322646
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213 2.09159159159159 0.0398416416577254 0.178491515421848
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214 2.0990990990991 0.0385236650610315 0.172649640094089
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215 2.10660660660661 0.0372488292704679 0.166997761022067
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216 2.11411411411411 0.0360157311378333 0.161529718177228
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217 2.12162162162162 0.0348230130083524 0.156239551044597
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218 2.12912912912913 0.0336693612472176 0.151121492160248
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219 2.13663663663664 0.0325535048138587 0.146169960858217
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220 2.14414414414414 0.0314742138823923 0.141379557220062
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221 2.15165165165165 0.0304302985067547 0.136745056220505
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222 2.15915915915916 0.0294206073290707 0.132261402062784
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223 2.16666666666667 0.0284440263298567 0.12792370269759
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224 2.17417417417417 0.0274994776187028 0.123727224519606
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225 2.18168168168168 0.0265859182641219 0.119667387235906
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226 2.18918918918919 0.0257023391612961 0.11573975890065
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227 2.1966966966967 0.0248477639364944 0.111940051110656
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228 2.2042042042042 0.0240212478869701 0.108264114356663
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229 2.21171171171171 0.0232218769551922 0.104707933525221
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230 2.21921921921922 0.0224487667362944 0.101267623546319
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231 2.22672672672673 0.0217010615176685 0.0979394251820448
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232 2.23423423423423 0.0209779333496589 0.0947197009516855
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233 2.24174174174174 0.0202785811463518 0.0916049311888616
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234 2.24924924924925 0.0196022298154821 0.0885917102263956
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235 2.25675675675676 0.0189481294165173 0.0856767427047945
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236 2.26426426426426 0.0183155543460034 0.0828568400003213
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237 2.27177177177177 0.0177038025492898 0.0801289167687893
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238 2.27927927927928 0.0171121947577804 0.0774899876013243
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239 2.28678678678679 0.0165400737508814 0.0749371637884646
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240 2.29429429429429 0.0159868036418477 0.0724676501890874
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241 2.3018018018018 0.015451769186753 0.0700787422007631
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242 2.30930930930931 0.014934375115834 0.0677678228282515
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243 2.31681681681682 0.0144340454864855 0.0655323598469554
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244 2.32432432432432 0.0139502230572029 0.0633699030582573
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245 2.33183183183183 0.0134823686817957 0.0612780816337567
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246 2.33933933933934 0.0130299607232139 0.0592546015455319
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247 2.34684684684685 0.012592494486353 0.057297243079632
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248 2.35435435435435 0.0121694816692221 0.0554038584301062
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|
|
888 7.15915915915916 -6.76993901700041e-10 -5.76077179355863e-10
|
|
889 7.16666666666667 -6.72685093477995e-10 -5.71795423352228e-10
|
|
890 7.17417417417417 -6.68408293794443e-10 -5.67550046436706e-10
|
|
891 7.18168168168168 -6.64163230840709e-10 -5.63340700883461e-10
|
|
892 7.18918918918919 -6.59949635404784e-10 -5.59167042658889e-10
|
|
893 7.1966966966967 -6.55767240843769e-10 -5.5502873137851e-10
|
|
894 7.2042042042042 -6.51615783056639e-10 -5.50925430264407e-10
|
|
895 7.21171171171171 -6.47495000457328e-10 -5.46856806103214e-10
|
|
896 7.21921921921922 -6.43404633948117e-10 -5.42822529204627e-10
|
|
897 7.22672672672673 -6.39344426893345e-10 -5.38822273360447e-10
|
|
898 7.23423423423423 -6.35314125093419e-10 -5.34855715804148e-10
|
|
899 7.24174174174174 -6.31313476759121e-10 -5.30922537170941e-10
|
|
900 7.24924924924925 -6.27342232486223e-10 -5.27022421458358e-10
|
|
901 7.25675675675676 -6.23400145230387e-10 -5.23155055987331e-10
|
|
902 7.26426426426426 -6.19486970282361e-10 -5.19320131363755e-10
|
|
903 7.27177177177177 -6.1560246524346e-10 -5.15517341440542e-10
|
|
904 7.27927927927928 -6.11746390001329e-10 -5.11746383280152e-10
|
|
905 7.28678678678679 -6.07918506705987e-10 -5.08006957117595e-10
|
|
906 7.29429429429429 -6.04118579746146e-10 -5.04298766323899e-10
|
|
907 7.3018018018018 -6.00346375725804e-10 -5.00621517370033e-10
|
|
908 7.30930930930931 -5.96601663441105e-10 -4.96974919791285e-10
|
|
909 7.31681681681682 -5.92884213857467e-10 -4.93358686152088e-10
|
|
910 7.32432432432432 -5.8919380008697e-10 -4.89772532011284e-10
|
|
911 7.33183183183183 -5.85530197366007e-10 -4.86216175887824e-10
|
|
912 7.33933933933934 -5.81893183033184e-10 -4.8268933922689e-10
|
|
913 7.34684684684685 -5.78282536507482e-10 -4.79191746366451e-10
|
|
914 7.35435435435435 -5.74698039266661e-10 -4.75723124504228e-10
|
|
915 7.36186186186186 -5.71139474825912e-10 -4.72283203665067e-10
|
|
916 7.36936936936937 -5.67606628716758e-10 -4.68871716668731e-10
|
|
917 7.37687687687688 -5.64099288466185e-10 -4.65488399098077e-10
|
|
918 7.38438438438438 -5.60617243576021e-10 -4.62132989267639e-10
|
|
919 7.39189189189189 -5.57160285502541e-10 -4.58805228192592e-10
|
|
920 7.3993993993994 -5.53728207636311e-10 -4.55504859558112e-10
|
|
921 7.40690690690691 -5.50320805282253e-10 -4.522316296891e-10
|
|
922 7.41441441441441 -5.46937875639942e-10 -4.48985287520293e-10
|
|
923 7.42192192192192 -5.43579217784125e-10 -4.45765584566736e-10
|
|
924 7.42942942942943 -5.40244632645453e-10 -4.42572274894626e-10
|
|
925 7.43693693693694 -5.36933922991446e-10 -4.39405115092507e-10
|
|
926 7.44444444444444 -5.33646893407653e-10 -4.36263864242821e-10
|
|
927 7.45195195195195 -5.30383350279042e-10 -4.33148283893818e-10
|
|
928 7.45945945945946 -5.27143101771593e-10 -4.30058138031798e-10
|
|
929 7.46696696696697 -5.23925957814089e-10 -4.26993193053703e-10
|
|
930 7.47447447447447 -5.20731730080131e-10 -4.23953217740039e-10
|
|
931 7.48198198198198 -5.17560231970335e-10 -4.20937983228135e-10
|
|
932 7.48948948948949 -5.14411278594742e-10 -4.17947262985725e-10
|
|
933 7.496996996997 -5.1128468675542e-10 -4.14980832784854e-10
|
|
934 7.5045045045045 -5.08180274929261e-10 -4.12038470676105e-10
|
|
935 7.51201201201201 -5.0509786325097e-10 -4.09119956963136e-10
|
|
936 7.51951951951952 -5.02037273496246e-10 -4.06225074177529e-10
|
|
937 7.52702702702703 -4.98998329065148e-10 -4.03353607053948e-10
|
|
938 7.53453453453453 -4.95980854965648e-10 -4.00505342505595e-10
|
|
939 7.54204204204204 -4.92984677797367e-10 -3.97680069599967e-10
|
|
940 7.54954954954955 -4.90009625735492e-10 -3.94877579534903e-10
|
|
941 7.55705705705706 -4.87055528514871e-10 -3.92097665614928e-10
|
|
942 7.56456456456456 -4.84122217414286e-10 -3.89340123227877e-10
|
|
943 7.57207207207207 -4.81209525240897e-10 -3.86604749821807e-10
|
|
944 7.57957957957958 -4.78317286314862e-10 -3.83891344882182e-10
|
|
945 7.58708708708709 -4.75445336454126e-10 -3.81199709909341e-10
|
|
946 7.59459459459459 -4.72593512959381e-10 -3.78529648396232e-10
|
|
947 7.6021021021021 -4.69761654599182e-10 -3.75880965806413e-10
|
|
948 7.60960960960961 -4.66949601595242e-10 -3.73253469552328e-10
|
|
949 7.61711711711712 -4.64157195607876e-10 -3.70646968973829e-10
|
|
950 7.62462462462462 -4.61384279721614e-10 -3.68061275316971e-10
|
|
951 7.63213213213213 -4.58630698430967e-10 -3.65496201713048e-10
|
|
952 7.63963963963964 -4.55896297626355e-10 -3.62951563157893e-10
|
|
953 7.64714714714715 -4.53180924580178e-10 -3.60427176491415e-10
|
|
954 7.65465465465465 -4.50484427933059e-10 -3.57922860377389e-10
|
|
955 7.66216216216216 -4.47806657680216e-10 -3.55438435283481e-10
|
|
956 7.66966966966967 -4.45147465157999e-10 -3.52973723461516e-10
|
|
957 7.67717717717718 -4.42506703030568e-10 -3.50528548927982e-10
|
|
958 7.68468468468468 -4.39884225276716e-10 -3.4810273744476e-10
|
|
959 7.69219219219219 -4.37279887176839e-10 -3.45696116500092e-10
|
|
960 7.6996996996997 -4.34693545300043e-10 -3.43308515289768e-10
|
|
961 7.70720720720721 -4.32125057491398e-10 -3.4093976469854e-10
|
|
962 7.71471471471471 -4.29574282859326e-10 -3.38589697281759e-10
|
|
963 7.72222222222222 -4.27041081763124e-10 -3.36258147247222e-10
|
|
964 7.72972972972973 -4.24525315800632e-10 -3.33944950437244e-10
|
|
965 7.73723723723724 -4.22026847796023e-10 -3.31649944310934e-10
|
|
966 7.74474474474474 -4.19545541787732e-10 -3.29372967926682e-10
|
|
967 7.75225225225225 -4.17081263016517e-10 -3.27113861924859e-10
|
|
968 7.75975975975976 -4.14633877913645e-10 -3.24872468510715e-10
|
|
969 7.76726726726727 -4.12203254089205e-10 -3.22648631437477e-10
|
|
970 7.77477477477477 -4.09789260320552e-10 -3.20442195989653e-10
|
|
971 7.78228228228228 -4.07391766540875e-10 -3.18253008966527e-10
|
|
972 7.78978978978979 -4.05010643827879e-10 -3.16080918665849e-10
|
|
973 7.7972972972973 -4.02645764392604e-10 -3.13925774867718e-10
|
|
974 7.8048048048048 -4.00297001568352e-10 -3.11787428818653e-10
|
|
975 7.81231231231231 -3.97964229799736e-10 -3.0966573321585e-10
|
|
976 7.81981981981982 -3.9564732463185e-10 -3.07560542191624e-10
|
|
977 7.82732732732733 -3.93346162699552e-10 -3.05471711298035e-10
|
|
978 7.83483483483483 -3.91060621716862e-10 -3.03399097491689e-10
|
|
979 7.84234234234234 -3.88790580466474e-10 -3.0134255911872e-10
|
|
980 7.84984984984985 -3.86535918789381e-10 -2.99301955899945e-10
|
|
981 7.85735735735736 -3.84296517574608e-10 -2.97277148916195e-10
|
|
982 7.86486486486486 -3.82072258749056e-10 -2.95268000593815e-10
|
|
983 7.87237237237237 -3.79863025267456e-10 -2.93274374690329e-10
|
|
984 7.87987987987988 -3.77668701102429e-10 -2.91296136280277e-10
|
|
985 7.88738738738739 -3.75489171234649e-10 -2.89333151741216e-10
|
|
986 7.89489489489489 -3.73324321643114e-10 -2.87385288739877e-10
|
|
987 7.9024024024024 -3.71174039295517e-10 -2.8545241621849e-10
|
|
988 7.90990990990991 -3.69038212138725e-10 -2.83534404381264e-10
|
|
989 7.91741741741742 -3.66916729089352e-10 -2.81631124681022e-10
|
|
990 7.92492492492492 -3.64809480024435e-10 -2.79742449805992e-10
|
|
991 7.93243243243243 -3.62716355772207e-10 -2.77868253666748e-10
|
|
992 7.93993993993994 -3.60637248102972e-10 -2.76008411383309e-10
|
|
993 7.94744744744745 -3.58572049720072e-10 -2.74162799272374e-10
|
|
994 7.95495495495495 -3.56520654250949e-10 -2.72331294834718e-10
|
|
995 7.96246246246246 -3.54482956238302e-10 -2.70513776742717e-10
|
|
996 7.96996996996997 -3.52458851131341e-10 -2.68710124828035e-10
|
|
997 7.97747747747748 -3.50448235277125e-10 -2.66920220069434e-10
|
|
998 7.98498498498498 -3.48451005911999e-10 -2.65143944580735e-10
|
|
999 7.99249249249249 -3.46467061153115e-10 -2.63381181598914e-10
|
|
1000 8 0 0
|
|
# Pair potential beck for atom types 2 2: i,r,energy,force
|
|
|
|
beck_2_2
|
|
N 1000 RSQ 0.5 8
|
|
|
|
1 0.5 44.5049513372107 195.378072520348
|
|
2 0.560190872662001 34.1703836825653 150.010778332049
|
|
3 0.614514139485519 26.9201166100736 118.183501396167
|
|
4 0.664410597026749 21.6243143487982 94.9361881698961
|
|
5 0.710813094459616 17.6387297388268 77.4405790188052
|
|
6 0.754366667522544 14.5687328405504 63.9642535461646
|
|
7 0.795539366017096 12.1594285012438 53.3882331438403
|
|
8 0.834683590767601 10.2392782693783 44.9594764711064
|
|
9 0.872072537413322 8.68898849073084 38.1542965560108
|
|
10 0.907923082823828 7.42333500700557 32.5985706908033
|
|
11 0.942410811768487 6.38004663531233 28.0189387773327
|
|
12 0.97568025087728 5.51274375959709 24.2118037564055
|
|
13 1.00785205549513 4.78630792785654 21.0230041990049
|
|
14 1.03902818998311 4.17376210506032 18.3341186874718
|
|
15 1.0692957464581 3.6541189374448 16.0530197658033
|
|
16 1.09872981538102 3.2108660156236 14.107224310198
|
|
17 1.12739568077096 2.83088017356423 12.4391273617343
|
|
18 1.15535052466117 2.50363674557021 11.0025308195711
|
|
19 1.18264476857958 2.22062533958673 9.76007873612221
|
|
20 1.20932314228351 1.97491258764918 8.68133783763155
|
|
21 1.23542554461055 1.76081105253182 7.74134406658861
|
|
22 1.26098774383024 1.5736258379668 6.91949023925684
|
|
23 1.28604195262204 1.4094587718548 6.19866644535208
|
|
24 1.31061730406619 1.26505572437394 5.56458980688632
|
|
25 1.33474024871191 1.1376865756368 5.0052775657163
|
|
26 1.35843488815083 1.02505013029898 4.5106296856081
|
|
27 1.38172325708123 0.925198260564938 4.07209586456372
|
|
28 1.40462556326338 0.836474990250532 3.68240813617327
|
|
29 1.42716039280341 0.75746727622529 3.33536482042799
|
|
30 1.44934488669902 0.686965012305141 3.02565495922358
|
|
31 1.47119489341637 0.623928352245803 2.74871488100547
|
|
32 1.49272510135933 0.567460877201379 2.50061042105417
|
|
33 1.51394915437806 0.516787457215295 2.27793974714765
|
|
34 1.53487975289788 0.471235903370284 2.07775282491927
|
|
35 1.55552874279766 0.43022169686131 1.8974843897272
|
|
36 1.57590719380409 0.393235227810314 1.73489793521842
|
|
37 1.59602546887489 0.359831090631458 1.58803872917637
|
|
38 1.61589328580544 0.329619071956014 1.45519425882331
|
|
39 1.63551977209844 0.302256537330504 1.33486081593785
|
|
40 1.6549135139755 0.277441978457383 1.22571517603023
|
|
41 1.6740826002777 0.254909526939242 1.12659051981283
|
|
42 1.69303466189159 0.234424275813115 1.0364559002763
|
|
43 1.71177690724585 0.21577827853248 0.954398683224599
|
|
44 1.73031615434694 0.198787117942143 0.879609489593869
|
|
45 1.74865885975733 0.183286956334074 0.81136924927796
|
|
46 1.76681114486569 0.16913199275661 0.749038042399742
|
|
47 1.78477881975203 0.156192266068172 0.692045458042301
|
|
48 1.80256740491146 0.144351752324508 0.639882244780261
|
|
49 1.82018215106705 0.133506713395537 0.592093063816063
|
|
50 1.83762805727298 0.123564260565166 0.548270185626629
|
|
51 1.85490988748529 0.114441102546757 0.508047995955384
|
|
52 1.8720321857555 0.106062452065528 0.471098197696561
|
|
53 1.8889992901847 0.09836106909147 0.437125612479675
|
|
54 1.90581534575943 0.091276422093157 0.405864500188723
|
|
55 1.92248431617684 0.0847539514377151 0.377075326743082
|
|
56 1.93900999475499 0.0787444213776824 0.350541920630175
|
|
57 1.95539601451306 0.0732033490166958 0.326068967244391
|
|
58 1.97164585749759 0.0680905002943862 0.303479797322041
|
|
59 1.9877628634224 0.0633694444269432 0.282614431889715
|
|
60 2.00375023768308 0.0590071594249726 0.263327851345229
|
|
61 2.01961105880039 0.0549736823186731 0.245488460716202
|
|
62 2.03534828534151 0.0512417985802942 0.228976726915587
|
|
63 2.05096476236342 0.0477867659687207 0.213683967038785
|
|
64 2.06646322741787 0.0445860686503697 0.19951126950908
|
|
65 2.08184631615402 0.0416191979906192 0.186368532248206
|
|
66 2.09711656755124 0.0388674568743057 0.17417360408664
|
|
67 2.11227642881127 0.0363137848137954 0.162851517383535
|
|
68 2.12732825993675 0.0339426014483114 0.152333801341058
|
|
69 2.14227433802007 0.0317396663366267 0.142557866807556
|
|
70 2.15711686126486 0.0296919532036855 0.133466454498191
|
|
71 2.17185795276003 0.0277875370259348 0.125007139545652
|
|
72 2.18649966402485 0.0260154925349839 0.11713188614856
|
|
73 2.20104397834178 0.024365802888784 0.10979664682932
|
|
74 2.2154928138923 0.0228292774073425 0.102961001461855
|
|
75 2.22984802670994 0.0213974773990368 0.0965878317959468
|
|
76 2.24411141346325 0.0200626492164289 0.090643027700047
|
|
77 2.25828471408055 0.0188176637792734 0.0850952217779096
|
|
78 2.27236961422733 0.0176559618890413 0.0799155493945452
|
|
79 2.28636774764636 0.0165715047353372 0.0750774314806962
|
|
80 2.3002806983695 0.0155587290614601 0.070556377778468
|
|
81 2.31411000280996 0.0146125065152231 0.0663298084490435
|
|
82 2.32785715174255 0.0137281067630417 0.0623768921910861
|
|
83 2.3415235921794 0.0129011639910911 0.0586783992193714
|
|
84 2.35511072914769 0.0121276464578029 0.0552165676307356
|
|
85 2.36861992737551 0.01140382879777 0.0519749818415015
|
|
86 2.38205251289181 0.0107262668088347 0.0489384619196534
|
|
87 2.39540977454547 0.0100917744822534 0.0460929627583933
|
|
88 2.40869296544865 0.00949740306078461 0.0434254821471955
|
|
89 2.4219033043488 0.0089404219317309 0.0409239768937954
|
|
90 2.43504197693375 0.00841830118168914 0.0385772862370912
|
|
91 2.44811013707375 0.00792869565733869 0.0363750618680315
|
|
92 2.46110890800408 0.00746943039225537 0.0343077039442638
|
|
93 2.47403938345186 0.00703848727371624 0.0323663025456347
|
|
94 2.48690262871 0.00663399283594163 0.0305425840723888
|
|
95 2.49969968166148 0.00625420707738123 0.0288288621368732
|
|
96 2.5124315537567 0.00589751320963665 0.0272179925433622
|
|
97 2.52509923094641 0.00556240825455791 0.0257033319898532
|
|
98 2.53770367457273 0.00524749441406984 0.0242787001608679
|
|
99 2.55024582222063 0.00495147114447917 0.0229383449118472
|
|
100 2.56272658853175 0.00467312787347498 0.0216769102740806
|
|
101 2.57514686598287 0.00441133730384249 0.0204894070345827
|
|
102 2.58750752563064 0.00416504925313443 0.0193711856682496
|
|
103 2.59980941782451 0.00393328498324807 0.0183179114202592
|
|
104 2.61205337288939 0.00371513197809331 0.0173255413552681
|
|
105 2.62424020177968 0.00350973913135892 0.0163903032067239
|
|
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1000 8 0 0
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