417 lines
31 KiB
C
417 lines
31 KiB
C
LAMMPS data file
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400 atoms
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1 atom types
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0.0 2.465000000000000e+01 xlo xhi
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0.0 2.134752620328641e+01 ylo yhi
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0.0 3.000000000000000e+01 zlo zhi
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1.232500000000000e+01 0.000000000000000e+00 0.000000000000000e+00 xy xz yz
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Masses
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1 12.011
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Atoms # molecular
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1 1 1 0.000000000000000e+00 0.000000000000000e+00 1.498097531971289e+01
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2 1 1 9.859999999999999e+00 1.707802096262913e+01 1.489139792549795e+01
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3 1 1 2.588250000000000e+01 6.404257860985923e+00 1.495586615731768e+01
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4 1 1 2.711500000000000e+01 7.115842067762138e+00 1.501795235919980e+01
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5 1 1 4.930000000000000e+00 8.539010481314564e+00 1.492827527515956e+01
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6 1 1 6.162499999999999e+00 9.250594688090777e+00 1.500678649580791e+01
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7 1 1 3.204499999999999e+01 1.565485254907670e+01 1.511662064028576e+01
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8 1 1 3.081250000000000e+01 1.494326834230049e+01 1.505500683988625e+01
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9 1 1 7.395000000000000e+00 8.539010481314564e+00 1.504923694256975e+01
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10 1 1 8.627500000000000e+00 9.250594688090777e+00 1.503332570633445e+01
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11 1 1 9.859999999999999e+00 8.539010481314564e+00 1.508137430939768e+01
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12 1 1 1.109250000000000e+01 9.250594688090777e+00 1.510475862694483e+01
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13 1 1 1.109250000000000e+01 1.778960516940534e+01 1.494613902888088e+01
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14 1 1 2.958000000000000e+01 1.565485254907670e+01 1.516279958068751e+01
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15 1 1 1.232500000000000e+01 8.539010481314564e+00 1.511276583208523e+01
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16 1 1 1.355750000000000e+01 9.250594688090777e+00 1.495632206546155e+01
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17 1 1 1.479000000000000e+01 8.539010481314564e+00 1.498291715828213e+01
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18 1 1 1.602250000000000e+01 9.250594688090777e+00 1.509801558902469e+01
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19 1 1 2.711499999999999e+01 1.565485254907670e+01 1.500089766276763e+01
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20 1 1 2.588250000000000e+01 1.494326834230049e+01 1.505114888970355e+01
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21 1 1 1.725500000000000e+01 8.539010481314564e+00 1.504495103103041e+01
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22 1 1 1.848750000000000e+01 9.250594688090777e+00 1.513527732850389e+01
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23 1 1 1.972000000000000e+01 8.539010481314564e+00 1.502400693288890e+01
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24 1 1 2.095250000000000e+01 9.250594688090777e+00 1.490419939433632e+01
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25 1 1 2.465000000000000e+01 1.565485254907670e+01 1.492998117758711e+01
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26 1 1 2.834750000000000e+01 1.494326834230049e+01 1.496091474579883e+01
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27 1 1 2.465000000000000e+01 7.115842067762138e+00 1.497394355694102e+01
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28 1 1 2.341750000000000e+01 6.404257860985923e+00 1.500235588455933e+01
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29 1 1 2.218500000000000e+01 7.115842067762138e+00 1.503766448268803e+01
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30 1 1 2.465000000000000e+01 4.269505240657282e+00 1.488340764495658e+01
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31 1 1 2.588250000000000e+01 4.981089447433495e+00 1.490587231994899e+01
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32 1 1 3.697500000000000e+00 6.404257860985923e+00 1.500462204163887e+01
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33 1 1 4.930000000000000e+00 7.115842067762138e+00 1.507823175629797e+01
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34 1 1 2.095250000000000e+01 1.778960516940534e+01 1.485635836857104e+01
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35 1 1 1.972000000000000e+01 1.707802096262913e+01 1.508733405608850e+01
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36 1 1 6.162500000000000e+00 6.404257860985923e+00 1.495657175139946e+01
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37 1 1 7.395000000000000e+00 7.115842067762138e+00 1.505630699893542e+01
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38 1 1 8.627500000000000e+00 6.404257860985923e+00 1.493710859708546e+01
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39 1 1 9.859999999999999e+00 7.115842067762138e+00 1.498031036104573e+01
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40 1 1 1.848750000000000e+01 1.778960516940534e+01 1.492663969598082e+01
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41 1 1 1.725500000000000e+01 1.707802096262913e+01 1.487928391741343e+01
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42 1 1 2.218500000000000e+01 1.280851572197185e+01 1.493339893560164e+01
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43 1 1 1.232500000000000e+01 7.115842067762138e+00 1.507943978677017e+01
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44 1 1 1.355750000000000e+01 6.404257860985923e+00 1.484914917113341e+01
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45 1 1 1.479000000000000e+01 7.115842067762138e+00 1.516663648122805e+01
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46 1 1 1.602250000000000e+01 1.778960516940534e+01 1.494170266401908e+01
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47 1 1 1.479000000000000e+01 1.707802096262913e+01 1.489834582180523e+01
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48 1 1 1.602250000000000e+01 6.404257860985923e+00 1.502658138746657e+01
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49 1 1 1.725500000000000e+01 7.115842067762138e+00 1.498697322036154e+01
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50 1 1 1.848750000000000e+01 6.404257860985923e+00 1.504573856434245e+01
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51 1 1 1.972000000000000e+01 7.115842067762138e+00 1.498510668772038e+01
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52 1 1 1.355750000000000e+01 1.778960516940534e+01 1.503160986637731e+01
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53 1 1 1.232500000000000e+01 1.707802096262913e+01 1.482446479934924e+01
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54 1 1 2.095250000000000e+01 6.404257860985923e+00 1.510811524523195e+01
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55 1 1 2.341750000000000e+01 1.494326834230049e+01 1.505440697642049e+01
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56 1 1 2.218500000000000e+01 1.707802096262913e+01 1.489480063588714e+01
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57 1 1 2.218500000000000e+01 8.539010481314564e+00 1.495045959051609e+01
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58 1 1 2.465000000000000e+01 8.539010481314564e+00 1.512601015985335e+01
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59 1 1 2.588250000000000e+01 1.067376310164321e+01 1.495691790117351e+01
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60 1 1 2.711500000000000e+01 1.138534730841942e+01 1.496195578420333e+01
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61 1 1 9.859999999999999e+00 1.565485254907670e+01 1.488138963237187e+01
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62 1 1 8.627500000000000e+00 1.494326834230049e+01 1.498700505084123e+01
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63 1 1 2.834750000000000e+01 1.067376310164321e+01 1.504459111637339e+01
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64 1 1 2.958000000000000e+01 1.138534730841942e+01 1.495098625433358e+01
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65 1 1 7.395000000000000e+00 1.280851572197185e+01 1.505608046573023e+01
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66 1 1 8.627500000000000e+00 1.352009992874806e+01 1.484199719552881e+01
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67 1 1 3.081250000000000e+01 1.352009992874806e+01 1.483451056838223e+01
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68 1 1 2.958000000000000e+01 1.280851572197185e+01 1.502332948089694e+01
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69 1 1 9.859999999999999e+00 1.280851572197185e+01 1.506286085730730e+01
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70 1 1 2.465000000000000e+01 1.138534730841942e+01 1.506305034228861e+01
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71 1 1 1.109250000000000e+01 1.352009992874806e+01 1.491918072685150e+01
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72 1 1 1.355750000000000e+01 1.352009992874806e+01 1.494644661191470e+01
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73 1 1 2.834750000000000e+01 1.352009992874806e+01 1.496099714517733e+01
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74 1 1 2.711500000000000e+01 1.280851572197185e+01 1.498298656405413e+01
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75 1 1 1.479000000000000e+01 1.280851572197185e+01 1.511808602386498e+01
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76 1 1 1.602250000000000e+01 1.352009992874806e+01 1.509196186449678e+01
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77 1 1 1.725500000000000e+01 1.280851572197185e+01 1.494017769280163e+01
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78 1 1 1.848750000000000e+01 1.352009992874806e+01 1.486540173862453e+01
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79 1 1 2.588250000000000e+01 1.352009992874806e+01 1.502414429870090e+01
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80 1 1 2.465000000000000e+01 1.280851572197185e+01 1.491189258035136e+01
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81 1 1 1.972000000000000e+01 1.280851572197185e+01 1.503451993485524e+01
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82 1 1 2.095250000000000e+01 1.352009992874806e+01 1.503423133885440e+01
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83 1 1 1.232500000000000e+01 1.280851572197185e+01 1.492432047742539e+01
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84 1 1 2.341750000000000e+01 1.067376310164321e+01 1.500488865182437e+01
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85 1 1 1.109250000000000e+01 1.494326834230049e+01 1.509530225402135e+01
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86 1 1 1.232500000000000e+01 1.565485254907670e+01 1.500246060086581e+01
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87 1 1 2.588250000000000e+01 9.250594688090777e+00 1.498734533172262e+01
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88 1 1 2.218500000000000e+01 1.565485254907670e+01 1.504729297899704e+01
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89 1 1 2.095250000000000e+01 1.494326834230049e+01 1.486622917148261e+01
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90 1 1 2.711500000000000e+01 8.539010481314564e+00 1.494373650471835e+01
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91 1 1 2.834750000000000e+01 9.250594688090777e+00 1.488792788684821e+01
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92 1 1 6.162500000000000e+00 1.067376310164321e+01 1.486731884367082e+01
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93 1 1 7.395000000000000e+00 1.138534730841942e+01 1.509646856144050e+01
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94 1 1 1.972000000000000e+01 1.565485254907670e+01 1.488798024124609e+01
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95 1 1 1.848750000000000e+01 1.494326834230049e+01 1.489558509878004e+01
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96 1 1 8.627500000000000e+00 1.067376310164321e+01 1.497336164791434e+01
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97 1 1 9.859999999999999e+00 1.138534730841942e+01 1.496081048392299e+01
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98 1 1 1.109250000000000e+01 1.067376310164321e+01 1.494580009249847e+01
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99 1 1 1.232500000000000e+01 1.138534730841942e+01 1.510396759497348e+01
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100 1 1 1.725500000000000e+01 1.565485254907670e+01 1.499338417222946e+01
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101 1 1 1.602250000000000e+01 1.494326834230049e+01 1.511840116374763e+01
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102 1 1 1.355750000000000e+01 1.067376310164321e+01 1.503281161003896e+01
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103 1 1 1.479000000000000e+01 1.138534730841942e+01 1.499843298302028e+01
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104 1 1 1.602250000000000e+01 1.067376310164321e+01 1.491311607132768e+01
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105 1 1 1.725500000000000e+01 1.138534730841942e+01 1.504030511972019e+01
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106 1 1 1.479000000000000e+01 1.565485254907670e+01 1.486944422096690e+01
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107 1 1 1.355750000000000e+01 1.494326834230049e+01 1.476511580670247e+01
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108 1 1 1.848750000000000e+01 1.067376310164321e+01 1.483733215135541e+01
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109 1 1 1.972000000000000e+01 1.138534730841942e+01 1.483307878319485e+01
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110 1 1 2.095250000000000e+01 1.067376310164321e+01 1.472377202887134e+01
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111 1 1 2.218500000000000e+01 1.138534730841942e+01 1.494032335018560e+01
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112 1 1 2.341750000000000e+01 9.250594688090777e+00 1.511930030385710e+01
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113 1 1 2.341750000000000e+01 1.778960516940534e+01 1.506163255648677e+01
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114 1 1 1.109250000000000e+01 6.404257860985923e+00 1.507183137955260e+01
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115 1 1 2.218500000000000e+01 4.269505240657282e+00 1.492921198534790e+01
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116 1 1 2.341750000000000e+01 7.115842067762137e-01 1.506491820629175e+01
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117 1 1 1.232500000000000e+00 2.134752620328641e+00 1.507012124249483e+01
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118 1 1 2.465000000000000e+00 2.846336827104855e+00 1.503655403336380e+01
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119 1 1 2.218500000000000e+01 1.992435778973398e+01 1.505948767536701e+01
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120 1 1 2.095250000000000e+01 1.921277358295777e+01 1.514330257618634e+01
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121 1 1 3.697500000000000e+00 2.134752620328641e+00 1.502497496406354e+01
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122 1 1 4.930000000000000e+00 2.846336827104855e+00 1.507374298221752e+01
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123 1 1 6.162500000000000e+00 2.134752620328641e+00 1.493733326297393e+01
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124 1 1 7.395000000000000e+00 2.846336827104855e+00 1.487495201368372e+01
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125 1 1 1.972000000000000e+01 1.992435778973398e+01 1.505808760634221e+01
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126 1 1 1.848750000000000e+01 1.921277358295777e+01 1.493872889432326e+01
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127 1 1 2.218500000000000e+01 0.000000000000000e+00 1.501312853963581e+01
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128 1 1 8.627500000000000e+00 2.134752620328641e+00 1.505205628279858e+01
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129 1 1 2.341750000000000e+01 4.981089447433495e+00 1.507571160792217e+01
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130 1 1 1.109250000000000e+01 2.134752620328641e+00 1.489358054803088e+01
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131 1 1 1.232500000000000e+01 2.846336827104855e+00 1.499912561242418e+01
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132 1 1 1.725500000000000e+01 1.992435778973398e+01 1.497577189332382e+01
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133 1 1 1.602250000000000e+01 1.921277358295777e+01 1.499040615876794e+01
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134 1 1 1.355750000000000e+01 2.134752620328641e+00 1.516072772863512e+01
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135 1 1 1.479000000000000e+01 2.846336827104855e+00 1.507211585538748e+01
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136 1 1 1.602250000000000e+01 2.134752620328641e+00 1.504045728176403e+01
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137 1 1 1.725500000000000e+01 2.846336827104855e+00 1.504684394670705e+01
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138 1 1 1.479000000000000e+01 1.992435778973398e+01 1.510384904069957e+01
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139 1 1 1.355750000000000e+01 1.921277358295777e+01 1.511446984282775e+01
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140 1 1 9.859999999999999e+00 2.846336827104855e+00 1.502182693962230e+01
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141 1 1 1.848750000000000e+01 2.134752620328641e+00 1.492115016417242e+01
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142 1 1 2.341750000000000e+01 1.921277358295777e+01 1.511940999724034e+01
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143 1 1 2.095250000000000e+01 7.115842067762137e-01 1.499411067303495e+01
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144 1 1 1.232500000000000e+00 7.115842067762137e-01 1.506494802778743e+01
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145 1 1 3.451000000000000e+01 1.992435778973398e+01 1.504957420337895e+01
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146 1 1 3.327750000000000e+01 1.921277358295777e+01 1.511072511003059e+01
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147 1 1 2.465000000000000e+00 0.000000000000000e+00 1.500837434607164e+01
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148 1 1 3.697500000000000e+00 7.115842067762137e-01 1.499541651074234e+01
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149 1 1 4.930000000000000e+00 0.000000000000000e+00 1.509518604163723e+01
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150 1 1 6.162500000000000e+00 7.115842067762137e-01 1.497074687620619e+01
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151 1 1 3.204500000000000e+01 1.992435778973398e+01 1.500792890976805e+01
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152 1 1 3.081250000000000e+01 1.921277358295777e+01 1.496690270418216e+01
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153 1 1 7.395000000000000e+00 0.000000000000000e+00 1.524069684472765e+01
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154 1 1 8.627500000000000e+00 7.115842067762137e-01 1.491839348334605e+01
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155 1 1 2.465000000000000e+01 1.992435778973398e+01 1.498895095057103e+01
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156 1 1 9.859999999999999e+00 0.000000000000000e+00 1.499465288102860e+01
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157 1 1 2.958000000000000e+01 1.992435778973398e+01 1.495366550654662e+01
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158 1 1 2.834750000000000e+01 1.921277358295777e+01 1.498688543050304e+01
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159 1 1 1.232500000000000e+01 0.000000000000000e+00 1.502461005163719e+01
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160 1 1 1.355750000000000e+01 7.115842067762137e-01 1.488675470180450e+01
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161 1 1 1.479000000000000e+01 0.000000000000000e+00 1.499317346174183e+01
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162 1 1 1.602250000000000e+01 7.115842067762137e-01 1.499167690758548e+01
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163 1 1 2.711499999999999e+01 1.992435778973398e+01 1.501975964337061e+01
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164 1 1 2.588250000000000e+01 1.921277358295777e+01 1.486203378273598e+01
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165 1 1 1.725500000000000e+01 0.000000000000000e+00 1.504809379785000e+01
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166 1 1 1.848750000000000e+01 7.115842067762137e-01 1.491114701451727e+01
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167 1 1 1.972000000000000e+01 0.000000000000000e+00 1.512011452965299e+01
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168 1 1 1.109250000000000e+01 7.115842067762137e-01 1.487408794621075e+01
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169 1 1 1.972000000000000e+01 2.846336827104855e+00 1.507831721537003e+01
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170 1 1 2.341750000000000e+01 1.352009992874806e+01 1.495718486297744e+01
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171 1 1 2.958000000000000e+01 1.707802096262913e+01 1.493147208418856e+01
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172 1 1 1.848750000000000e+01 4.981089447433495e+00 1.494913539471411e+01
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173 1 1 3.697500000000000e+00 4.981089447433495e+00 1.478998858443710e+01
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174 1 1 3.327750000000000e+01 1.778960516940534e+01 1.495502006800012e+01
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175 1 1 3.204500000000000e+01 1.707802096262913e+01 1.495051064694342e+01
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176 1 1 4.930000000000000e+00 4.269505240657282e+00 1.498350377115313e+01
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177 1 1 6.162500000000000e+00 4.981089447433495e+00 1.494667393795457e+01
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178 1 1 7.395000000000000e+00 4.269505240657282e+00 1.507985366541724e+01
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179 1 1 2.588250000000000e+01 1.778960516940534e+01 1.494716376988664e+01
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180 1 1 8.627500000000000e+00 4.981089447433495e+00 1.499320258596098e+01
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181 1 1 1.602250000000000e+01 4.981089447433495e+00 1.500127272897711e+01
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182 1 1 1.479000000000000e+01 4.269505240657282e+00 1.493241109430999e+01
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183 1 1 2.711500000000000e+01 1.707802096262913e+01 1.513215736063149e+01
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184 1 1 2.834750000000000e+01 1.778960516940534e+01 1.491995000096713e+01
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185 1 1 9.859999999999999e+00 4.269505240657282e+00 1.523967414046218e+01
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186 1 1 1.109250000000000e+01 4.981089447433495e+00 1.507658824600498e+01
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187 1 1 1.355750000000000e+01 4.981089447433495e+00 1.498019661433922e+01
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188 1 1 3.081250000000000e+01 1.778960516940534e+01 1.488921763404584e+01
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378 2 1 2.465000000000000e+01 7.115842067762138e+00 1.838708488224049e+01
|
|
379 2 1 2.588250000000000e+01 7.827426274538350e+00 1.830434555380351e+01
|
|
380 2 1 2.711500000000000e+01 7.115842067762138e+00 1.859652575977937e+01
|
|
381 2 1 2.834750000000000e+01 7.827426274538350e+00 1.844094595194482e+01
|
|
382 2 1 6.162499999999999e+00 9.250594688090777e+00 1.856484810097502e+01
|
|
383 2 1 1.109250000000000e+01 7.827426274538350e+00 1.847502232204046e+01
|
|
384 2 1 7.395000000000000e+00 9.962178894866991e+00 1.854741705791729e+01
|
|
385 2 1 9.859999999999999e+00 9.962178894866991e+00 1.837074522628645e+01
|
|
386 2 1 1.109250000000000e+01 9.250594688090777e+00 1.846206781979952e+01
|
|
387 2 1 1.232500000000000e+01 9.962178894866991e+00 1.823251181425658e+01
|
|
388 2 1 1.355750000000000e+01 9.250594688090777e+00 1.834993099844037e+01
|
|
389 2 1 1.479000000000000e+01 9.962178894866991e+00 1.843248036437880e+01
|
|
390 2 1 1.602250000000000e+01 9.250594688090777e+00 1.855142577781635e+01
|
|
391 2 1 1.725500000000000e+01 9.962178894866991e+00 1.847587547064991e+01
|
|
392 2 1 1.848750000000000e+01 9.250594688090777e+00 1.850249139638135e+01
|
|
393 2 1 1.972000000000000e+01 9.962178894866991e+00 1.841266132895000e+01
|
|
394 2 1 2.095250000000000e+01 9.250594688090777e+00 1.837466808881276e+01
|
|
395 2 1 2.218500000000000e+01 9.962178894866991e+00 1.834587370280250e+01
|
|
396 2 1 2.341750000000000e+01 9.250594688090777e+00 1.846590574952954e+01
|
|
397 2 1 2.465000000000000e+01 9.962178894866991e+00 1.835650105398410e+01
|
|
398 2 1 2.588250000000000e+01 9.250594688090777e+00 1.838143174570202e+01
|
|
399 2 1 8.627500000000000e+00 9.250594688090777e+00 1.843904853716322e+01
|
|
400 2 1 3.574249999999999e+01 2.063594199651019e+01 1.839864514570517e+01
|