forked from lijiext/lammps
334 lines
18 KiB
Plaintext
334 lines
18 KiB
Plaintext
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# DATE: 2017-02-20 CONTRIBUTOR: Mitchell Wood mitwood@sandia.gov CITATION: Juslin, N. and Wirth, B. D. Journal of Nuclear Materials, 423, (2013) p61-63
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#
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#-> LAMMPS Potential File in tabular format. <-#
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# N. Juslin and B.D. Wirth, J. Nucl. Mater. 432: 61-66 (2013). #
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# Implemented by K.D. Hammond (2013) karlh@utk.edu
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WHe
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N 325
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1 0.000001 193967.941432641 21165142.7035409
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2 0.02 88781.7058271842 5199760.86773195
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3 0.03 54461.7226844158 2255783.27652381
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4 0.04 37754.4525147374 1233285.07338825
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5 0.05 28027.0551422937 765154.791685769
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6 0.06 21746.7711436002 514318.047209743
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7 0.07 17407.2122555268 365457.111099578
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8 0.08 14260.380890756 270524.172812057
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9 0.09 11894.315375388 206649.630589727
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10 0.1 10064.3593879466 161847.200920021
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11 0.11 8616.61401638085 129358.142417815
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12 0.12 7449.7679909506 105145.917230655
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13 0.13 6494.61875555217 86685.1834957916
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14 0.14 5702.42313976808 72334.2424211515
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15 0.15 5037.94580316996 60990.8171175998
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16 0.16 4475.14199778904 51894.0939422829
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17 0.17 3994.38401078788 44506.229619365
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18 0.18 3580.62666819885 38438.9489608325
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19 0.19 3222.16279673461 33406.7013437966
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20 0.2 2909.75986785247 29195.976537891
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21 0.21 2636.04908399207 25644.7364933058
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22 0.22 2395.08534986163 22628.3414553063
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23 0.23 2182.02521022247 20049.740107058
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24 0.24 1992.88767473625 17832.5164484929
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25 0.25 1824.374223221 15915.8858113167
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26 0.26 1673.73168801722 14251.0430039002
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27 0.27 1538.64662154286 12798.4627755747
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28 0.28 1417.16307190682 11525.8804272463
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29 0.29 1307.61796220838 10406.7644777657
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30 0.3 1208.58985019291 9419.14958758174
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31 0.31 1118.8579596074 8544.73619272459
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32 0.32 1037.36917029033 7768.18965475981
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33 0.33 963.211228625566 7076.59012069084
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34 0.34 895.590859433663 6458.9972713357
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35 0.35 833.815769676712 5906.10340798657
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36 0.36 777.27976462076 5409.9550164674
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37 0.37 725.450370074705 4963.72782166695
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38 0.38 677.858485369477 4561.54392990095
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39 0.39 634.089691821654 4198.3223154716
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40 0.4 593.776918443069 3869.65589682796
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41 0.41 556.594226358163 3571.70994736531
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42 0.42 522.251519987548 3301.13772506169
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43 0.43 490.490029664824 3055.01007668961
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44 0.44 461.07843929567 2830.75644369566
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45 0.45 433.809555685745 2626.11521737135
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46 0.46 408.497434574275 2439.09179705296
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47 0.47 384.974893215623 2267.92302383156
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48 0.48 363.091351319355 2111.04691385653
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49 0.49 342.710951882019 1967.07681501168
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50 0.5 323.710921379843 1834.77927007332
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51 0.51 305.980135298364 1713.05499722693
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52 0.52 289.417860333203 1600.9225017701
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53 0.53 273.932649026687 1497.50391617084
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54 0.54 259.44136628296 1402.0127334168
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55 0.55 245.86833026895 1313.74315392891
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56 0.56 233.144552771494 1232.06081168718
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57 0.57 221.207066231741 1156.3946825672
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58 0.58 209.998326488761 1086.23000874818
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59 0.59 199.465681793803 1021.10209864685
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60 0.6 189.560899952328 960.590883129588
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61 0.61 180.239746551915 904.316126537919
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62 0.62 171.461608172096 851.933205957983
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63 0.63 163.189155273495 803.129384679904
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64 0.64 155.388040149985 757.62051633995
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65 0.65 148.026625916815 715.148125151611
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66 0.66 141.075743014823 675.476815185188
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67 0.67 134.508470148273 638.391968073426
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68 0.68 128.299936952045 603.697693987706
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69 0.69 122.427146011509 571.215005397664
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70 0.7 116.868812142757 540.780187122909
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71 0.71 111.605217088269 512.243339613345
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72 0.72 106.618077998551 485.467075341772
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73 0.73 101.890428258492 460.32535073159
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74 0.74 97.4065093817089 436.702418234594
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75 0.75 93.1516728402801 414.491885070093
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76 0.76 89.1122908237631 393.595866780115
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77 0.77 85.2756750325343 373.92422518237
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78 0.78 81.6300027083206 355.393881543952
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79 0.79 78.1642491910339 337.928196880203
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80 0.8 74.8681263671512 321.456412227117
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81 0.81 71.7320264421784 305.913142560798
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82 0.82 68.7469705293107 291.237918759986
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83 0.83 65.9045615992059 277.374772641144
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84 0.84 63.1969413826496 264.271860652001
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85 0.85 60.6167508595336 251.881122298665
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86 0.86 58.1570940046202 240.157969812335
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87 0.87 55.8115044935616 229.061005941579
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88 0.88 53.5739151020755 218.551767091662
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89 0.89 51.4386295574478 208.594489329042
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90 0.9 49.400296625012 199.15589503172
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91 0.91 47.4538862332645 190.204998198848
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92 0.92 45.5946674600827 181.712926639528
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93 0.93 43.818188219384 173.652759444123
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94 0.94 42.1202565026948 165.999378304597
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95 0.95 40.4969230436942 158.729331395598
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96 0.96 38.944465286023 151.820708657476
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97 0.97 37.4593725456438 145.253027437895
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98 0.98 36.03833226895 139.00712755184
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99 0.99 34.6782172967515 133.065074912029
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100 1 33.3760740523261 127.410072964226
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101 1.01 32.1291115790037 122.026381235854
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102 1.02 30.9346913593292 116.899240372539
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103 1.03 29.7903178538011 112.014803096661
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104 1.04 28.6936297025718 107.360070575369
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105 1.05 27.6423915383737 102.922833733498
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106 1.06 26.6344863633652 98.69161908997
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107 1.07 25.6679084466039 94.6556387351718
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108 1.08 24.7407567025028 90.804744101767
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109 1.09 23.8272933774771 87.0424919424945
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110 1.1 22.9746938084833 83.501083250349
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111 1.11 22.1568053467682 80.0995862713648
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112 1.12 21.372249301539 76.8339257499533
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113 1.13 20.6196874341871 73.7000865054019
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114 1.14 19.8978213575361 70.6941134318681
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115 1.15 19.2053919350916 67.8121114983956
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116 1.16 18.5411786802966 65.0502457488983
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117 1.17 17.9039991557794 62.4047413021631
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118 1.18 17.2927083726064 59.8718833518619
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119 1.19 16.7061981895337 57.4480171665332
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120 1.2 16.1433967122567 55.1295480895992
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121 1.21 15.6032676926612 52.9129415393513
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122 1.22 15.0848099280771 50.7947230089626
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123 1.23 14.5870566605305 48.7714780664787
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124 1.24 14.1090749759875 46.8398523548244
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125 1.25 13.6499652036138 44.9965515917961
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126 1.26 13.2088603150229 43.2383415700692
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127 1.27 12.784925323525 41.5620481571964
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128 1.28 12.3773566833817 39.9645572956038
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129 1.29 11.9853816890583 38.4428150025965
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130 1.3 11.60825787447 36.9938273703497
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131 1.31 11.2452724122346 35.6146605659201
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132 1.32 10.8957415129272 34.3024408312399
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133 1.33 10.5590098243284 33.0543544831148
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134 1.34 10.234449830679 31.8676479132323
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135 1.35 9.92146125192414 30.739627588146
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136 1.36 9.61947044297006 29.6676600492951
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137 1.37 9.32792979293674 28.6491719129885
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138 1.38 9.04631712440562 27.6816498704143
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139 1.39 8.77413509267092 26.7626406876384
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140 1.4 8.51091058499253 25.8897512055996
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141 1.41 8.25619411984519 25.0606483401084
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142 1.42 8.00955924617449 24.2730590818669
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143 1.43 7.77060194264106 23.524770496429
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144 1.44 7.53894001687615 22.8136297242495
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145 1.45 7.31421250473534 22.1375439806457
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146 1.46 7.09607906954318 21.4944805558102
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147 1.47 6.88421940134788 20.8824668148159
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148 1.48 6.678332616175 20.2995901976151
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149 1.49 6.47813665527576 19.743998219024
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150 1.5 6.28336768437487 19.2138984687485
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151 1.51 6.09377949293196 18.7075586113629
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152 1.52 5.90914289338127 18.2233063863173
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153 1.53 5.72924512039265 17.759529607943
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154 1.54 5.55388923011117 17.3146761654411
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155 1.55 5.38289349942409 16.8872540228954
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156 1.56 5.21609082520001 16.4758312192575
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157 1.57 5.05332812353902 16.0790358683639
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158 1.58 4.89446572903546 15.6955561589207
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159 1.59 4.73937679401809 15.3241403545121
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160 1.6 4.58794668780786 14.9635967935988
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161 1.61 4.44007239596442 14.6127938895147
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162 1.62 4.29566191954302 14.2706601304803
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163 1.63 4.15463367433779 13.9361840795741
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164 1.64 4.01691589014092 13.6084143747644
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165 1.65 3.88244600998598 13.2864597288958
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166 1.66 3.75117008941481 12.9694889296766
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167 1.67 3.62304219570535 12.6567308397093
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168 1.68 3.49802380713948 12.3474743964548
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169 1.69 3.37608321225264 12.04106861226
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170 1.7 3.25719490908079 11.7369225743464
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171 1.71 3.14133900441368 11.4345054448136
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172 1.72 3.02850061304264 11.1333464606264
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173 1.73 2.91866925702027 10.8330349336425
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174 1.74 2.81183826489826 10.533220250582
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175 1.75 2.70800417099883 10.233611873045
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176 1.76 2.60716611463897 9.93397933750975
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177 1.77 2.50932523941003 9.63415225533254
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178 1.78 2.41448409240832 9.3340203127359
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179 1.79 2.3226460234938 9.03353327083141
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180 1.8 2.23381458454253 8.732700965596
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181 1.81 2.14799292869986 8.43159330788831
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182 1.82 2.06518320961743 8.13034028344418
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183 1.83 1.98538598072548 7.82913195286937
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184 1.84 1.90859959447164 7.52821845164772
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185 1.85 1.83481960157053 7.2279099901466
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186 1.86 1.7640381502589 6.92857685359786
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187 1.87 1.69624338555161 6.63064940211416
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188 1.88 1.63141884849222 6.33461807069079
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189 1.89 1.56954287538349 6.04103336918388
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190 1.9 1.51058799706618 5.75050588234672
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191 1.91 1.45452033816503 5.46370626978796
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192 1.92 1.40129901631838 5.18136526601165
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193 1.93 1.35087554145878 4.90427368037354
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194 1.94 1.30319321504351 4.63328239712837
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195 1.95 1.25818652931969 4.36930237539354
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196 1.96 1.21578056655756 4.11330464916909
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197 1.97 1.17589039832831 3.86632032733041
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198 1.98 1.13842048472736 3.62944059362462
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199 1.99 1.10326407363948 3.4038167066833
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200 2 1.07030260000113 3.19065999999702
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201 2.01 1.03940508502285 2.99124188195356
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202 2.02 1.01042753546074 2.80689383580147
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203 2.03 0.98321234287971 2.63900741967382
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204 2.04 0.957587682867711 2.48903426657353
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205 2.05 0.93336691431989 2.35848608439528
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206 2.06 0.910347978676441 2.24893465587638
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207 2.07 0.888312799175878 2.16201183866769
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208 2.08 0.867026680100139 2.09940956527362
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209 2.09 0.846311972535292 2.0501194750481
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210 2.1 0.826052090711088 2.00205155230487
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211 2.11 0.806267097861257 1.95513674544071
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212 2.12 0.786945609506685 1.90934585391834
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213 2.13 0.7680765291529 1.86465047725327
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214 2.14 0.749649040410966 1.82102299086693
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215 2.15 0.731652599355765 1.77843652275056
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216 2.16 0.714076927113717 1.73686493090964
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217 2.17 0.696912002672274 1.69628278155967
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218 2.18 0.680148055903811 1.65666532804561
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219 2.19 0.663775560796824 1.61798849045792
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220 2.2 0.647785228887586 1.5802288359199
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221 2.21 0.632168002885678 1.54336355952145
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222 2.22 0.616915050487049 1.50737046587586
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223 2.23 0.602017758368489 1.47222795127685
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224 2.24 0.587467726357617 1.43791498643425
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225 2.25 0.573256761772716 1.40441109976729
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226 2.26 0.559376873926913 1.37169636123572
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227 2.27 0.54582026879146 1.33975136668933
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228 2.28 0.532579343812991 1.30855722271748
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229 2.29 0.519646682879861 1.27809553198093
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230 2.3 0.507015051432831 1.24834837900889
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231 2.31 0.494677391715517 1.21929831644497
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232 2.32 0.482626818160208 1.19092835172618
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233 2.33 0.470856612904789 1.16322193418007
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234 2.34 0.459360221436662 1.1361629425252
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235 2.35 0.448131248359705 1.10973567276124
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236 2.36 0.437163453280438 1.08392482643501
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237 2.37 0.426450746809703 1.05871549926971
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238 2.38 0.415987186676291 1.0340931701448
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||
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239 2.39 0.405766973949056 1.01004369041464
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||
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240 2.4 0.395784449364215 0.986553273554313
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||
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241 2.41 0.38603408975458 0.963608485121541
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||
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242 2.42 0.376510504577652 0.941196233024116
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||
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243 2.43 0.367208432539548 0.919303758082476
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||
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|
244 2.44 0.358122738311864 0.897918624877599
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||
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245 2.45 0.349248409338683 0.877028712874665
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||
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246 2.46 0.340580552730998 0.85662220781334
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||
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247 2.47 0.332114392245936 0.83668759335581
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||
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248 2.48 0.323845265348255 0.8172136429841
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||
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|
249 2.49 0.315768620351645 0.798189412138432
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||
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250 2.5 0.307880013637488 0.779604230588763
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||
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251 2.51 0.300175106948751 0.761447695031842
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||
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|
252 2.52 0.292649664756829 0.743709661906479
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||
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253 2.53 0.285299551699157 0.726380240419923
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||
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|
254 2.54 0.278120730085547 0.70944978577854
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||
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255 2.55 0.271109257471214 0.69290889261619
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||
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256 2.56 0.264149883217677 0.704309455966822
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||
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257 2.57 0.257023670963235 0.720548414483017
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||
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258 2.58 0.249746544950963 0.73449858053557
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||
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259 2.59 0.242341191411443 0.746201328856265
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||
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260 2.6 0.234829852474346 0.755704032488528
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||
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261 2.61 0.227234268357011 0.763059628544665
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||
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262 2.62 0.219575623890343 0.768326185205915
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||
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263 2.63 0.211874499363033 0.771566471270733
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||
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264 2.64 0.204150825652343 0.772847529495918
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||
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265 2.65 0.196423843597567 0.772240254912945
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||
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266 2.66 0.188712067560753 0.769818979238484
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||
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267 2.67 0.181033253108439 0.765661062433794
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||
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268 2.68 0.17340436873789 0.759846492402718
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||
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269 2.69 0.165841571561793 0.752457493752577
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||
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270 2.7 0.158360186856416 0.743578146476553
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||
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271 2.71 0.150974691370005 0.733294015350452
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||
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272 2.72 0.14369870028059 0.721691790771177
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||
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273 2.73 0.136544957685405 0.708858941699004
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||
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274 2.74 0.129525330497857 0.69488338130108
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||
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275 2.75 0.122650805622294 0.679853145829612
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||
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|
276 2.76 0.115931490271846 0.663856087205069
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||
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277 2.77 0.10937661529017 0.646979579712699
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||
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278 2.78 0.102994541334199 0.629310241159726
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||
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279 2.79 0.0967927677717845 0.610933668781077
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||
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280 2.8 0.0907779441455664 0.591934190123306
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||
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281 2.81 0.0849558840523623 0.572394629079895
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||
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282 2.82 0.0793315812859323 0.552396087196204
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||
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283 2.83 0.0739092280900552 0.532017740309284
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||
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284 2.84 0.0686922353684514 0.51133665053656
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||
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285 2.85 0.0636832546982004 0.490427593578163
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||
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286 2.86 0.058884201993894 0.469362901250494
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||
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287 2.87 0.0542962826708072 0.448212319123508
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||
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288 2.88 0.0499200181568738 0.427042879091302
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||
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289 2.89 0.04575527360515 0.405918786664859
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||
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290 2.9 0.0418012866607671 0.384901322737369
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||
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291 2.91 0.0380566971390415 0.364048759536354
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||
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292 2.92 0.0345195774744505 0.343416290443013
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||
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293 2.93 0.0311874638035265 0.323055973327595
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||
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294 2.94 0.0280573875483925 0.303016687020528
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||
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295 2.95 0.0251259073715924 0.283344100512051
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||
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296 2.96 0.0223891413770724 0.264080654448684
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||
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297 2.97 0.0198427994365954 0.245265554472591
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||
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298 2.98 0.017482215525515 0.226934775930029
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||
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299 2.99 0.0153023799566589 0.20912107945741
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||
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300 3 0.0132979714060716 0.191854036938167
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||
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301 3.01 0.0114633886294948 0.175160067310366
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||
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302 3.02 0.009792781773727 0.159062481694054
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||
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303 3.03 0.00828008319235769 0.143581537298372
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||
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304 3.04 0.00691903768080766 0.128734499561665
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||
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305 3.05 0.00570323205109961 0.114535711972949
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||
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306 3.06 0.0046261239723178 0.100996673020243
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||
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307 3.07 0.00368107000826405 0.088126119710232
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||
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308 3.08 0.00286135278937321 0.0759301171045549
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||
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309 3.09 0.00216020726148435 0.0644121533205429
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||
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310 3.1 0.00157084595956787 0.0535732394484653
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||
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311 3.11 0.00108648325995938 0.0434120138431347
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||
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312 3.12 0.000700358570037423 0.0339248502550448
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||
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313 3.13 0.000405758419588332 0.0251059692749879
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||
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314 3.14 0.000196037423311657 0.0169475525761798
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||
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|
315 3.15 6.46380890244662E-05 0.00943985944932857
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||
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|
316 3.16 5.1094511057313E-06 0.00257134513861945
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||
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317 3.17 0 0
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||
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318 3.18 0 0
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||
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|
319 3.19 0 0
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||
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|
320 3.2 0 0
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||
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|
321 3.21 0 0
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||
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|
322 3.22 0 0
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||
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|
323 3.23 0 0
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||
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|
324 3.24 0 0
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||
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|
325 3.25 0 0
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