782 lines
57 KiB
Plaintext
782 lines
57 KiB
Plaintext
Single layer MoS2
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768 atoms
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3 atom types
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0.0000000000000000 51.1523200000000177 xlo xhi
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0.0000000000000000 44.2992085825108320 ylo yhi
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-100.0000000000000000 100.0000000000000000 zlo zhi
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25.5761600000000088 0.0000000000000000 0.0000000000000000 xy xz yz
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Atoms
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1 2 0.000000000000000 0.000000000000000 -1.596930000000000
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2 3 0.000000000000000 0.000000000000000 1.596930000000000
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3 1 0.000000000000000 1.845800357604618 0.000000000000000
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4 2 1.598510000000001 2.768700536406927 -1.596930000000000
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5 3 1.598510000000001 2.768700536406927 1.596930000000000
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6 1 1.598510000000001 4.614500894011545 0.000000000000000
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7 2 3.197020000000001 5.537401072813854 -1.596930000000000
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8 3 3.197020000000001 5.537401072813854 1.596930000000000
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9 1 3.197020000000001 7.383201430418472 0.000000000000000
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10 2 4.795530000000002 8.306101609220781 -1.596930000000000
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11 3 4.795530000000002 8.306101609220781 1.596930000000000
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12 1 4.795530000000002 10.151901966825399 0.000000000000000
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13 2 6.394040000000002 11.074802145627708 -1.596930000000000
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14 3 6.394040000000002 11.074802145627708 1.596930000000000
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15 1 6.394040000000002 12.920602503232326 0.000000000000000
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16 2 7.992550000000003 13.843502682034635 -1.596930000000000
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17 3 7.992550000000003 13.843502682034635 1.596930000000000
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18 1 7.992550000000003 15.689303039639253 0.000000000000000
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19 2 9.591060000000003 16.612203218441562 -1.596930000000000
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20 3 9.591060000000003 16.612203218441562 1.596930000000000
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21 1 9.591060000000003 18.458003576046180 0.000000000000000
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22 2 11.189570000000004 19.380903754848489 -1.596930000000000
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23 3 11.189570000000004 19.380903754848489 1.596930000000000
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24 1 11.189570000000004 21.226704112453107 0.000000000000000
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25 2 12.788080000000004 22.149604291255416 -1.596930000000000
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26 3 12.788080000000004 22.149604291255416 1.596930000000000
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27 1 12.788080000000004 23.995404648860034 0.000000000000000
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28 2 14.386590000000005 24.918304827662343 -1.596930000000000
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29 3 14.386590000000005 24.918304827662343 1.596930000000000
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30 1 14.386590000000005 26.764105185266961 0.000000000000000
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31 2 15.985100000000006 27.687005364069270 -1.596930000000000
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32 3 15.985100000000006 27.687005364069270 1.596930000000000
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33 1 15.985100000000006 29.532805721673888 0.000000000000000
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34 2 17.583610000000006 30.455705900476197 -1.596930000000000
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35 3 17.583610000000006 30.455705900476197 1.596930000000000
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36 1 17.583610000000006 32.301506258080815 0.000000000000000
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37 2 19.182120000000007 33.224406436883124 -1.596930000000000
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38 3 19.182120000000007 33.224406436883124 1.596930000000000
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39 1 19.182120000000007 35.070206794487742 0.000000000000000
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40 2 20.780630000000007 35.993106973290051 -1.596930000000000
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41 3 20.780630000000007 35.993106973290051 1.596930000000000
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42 1 20.780630000000007 37.838907330894669 0.000000000000000
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43 2 22.379140000000008 38.761807509696978 -1.596930000000000
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44 3 22.379140000000008 38.761807509696978 1.596930000000000
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45 1 22.379140000000008 40.607607867301596 0.000000000000000
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46 2 23.977650000000008 41.530508046103905 -1.596930000000000
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47 3 23.977650000000008 41.530508046103905 1.596930000000000
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48 1 23.977650000000008 43.376308403708523 0.000000000000000
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49 2 3.197020000000001 0.000000000000000 -1.596930000000000
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50 3 3.197020000000001 0.000000000000000 1.596930000000000
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51 1 3.197020000000001 1.845800357604618 0.000000000000000
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52 2 4.795530000000002 2.768700536406927 -1.596930000000000
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53 3 4.795530000000002 2.768700536406927 1.596930000000000
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54 1 4.795530000000002 4.614500894011545 0.000000000000000
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55 2 6.394040000000002 5.537401072813854 -1.596930000000000
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56 3 6.394040000000002 5.537401072813854 1.596930000000000
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57 1 6.394040000000002 7.383201430418472 0.000000000000000
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58 2 7.992550000000003 8.306101609220781 -1.596930000000000
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59 3 7.992550000000003 8.306101609220781 1.596930000000000
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60 1 7.992550000000003 10.151901966825399 0.000000000000000
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61 2 9.591060000000003 11.074802145627708 -1.596930000000000
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62 3 9.591060000000003 11.074802145627708 1.596930000000000
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63 1 9.591060000000003 12.920602503232326 0.000000000000000
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64 2 11.189570000000004 13.843502682034635 -1.596930000000000
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65 3 11.189570000000004 13.843502682034635 1.596930000000000
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66 1 11.189570000000004 15.689303039639253 0.000000000000000
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67 2 12.788080000000004 16.612203218441562 -1.596930000000000
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68 3 12.788080000000004 16.612203218441562 1.596930000000000
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69 1 12.788080000000004 18.458003576046180 0.000000000000000
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70 2 14.386590000000005 19.380903754848489 -1.596930000000000
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71 3 14.386590000000005 19.380903754848489 1.596930000000000
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72 1 14.386590000000005 21.226704112453107 0.000000000000000
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73 2 15.985100000000006 22.149604291255416 -1.596930000000000
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74 3 15.985100000000006 22.149604291255416 1.596930000000000
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75 1 15.985100000000006 23.995404648860034 0.000000000000000
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76 2 17.583610000000006 24.918304827662343 -1.596930000000000
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77 3 17.583610000000006 24.918304827662343 1.596930000000000
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78 1 17.583610000000006 26.764105185266961 0.000000000000000
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79 2 19.182120000000007 27.687005364069270 -1.596930000000000
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80 3 19.182120000000007 27.687005364069270 1.596930000000000
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81 1 19.182120000000007 29.532805721673888 0.000000000000000
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82 2 20.780630000000007 30.455705900476197 -1.596930000000000
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83 3 20.780630000000007 30.455705900476197 1.596930000000000
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84 1 20.780630000000007 32.301506258080815 0.000000000000000
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85 2 22.379140000000008 33.224406436883124 -1.596930000000000
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86 3 22.379140000000008 33.224406436883124 1.596930000000000
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87 1 22.379140000000008 35.070206794487742 0.000000000000000
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88 2 23.977650000000008 35.993106973290051 -1.596930000000000
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89 3 23.977650000000008 35.993106973290051 1.596930000000000
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90 1 23.977650000000008 37.838907330894669 0.000000000000000
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91 2 25.576160000000009 38.761807509696978 -1.596930000000000
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92 3 25.576160000000009 38.761807509696978 1.596930000000000
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93 1 25.576160000000009 40.607607867301596 0.000000000000000
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94 2 27.174670000000009 41.530508046103905 -1.596930000000000
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95 3 27.174670000000009 41.530508046103905 1.596930000000000
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96 1 27.174670000000009 43.376308403708523 0.000000000000000
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97 2 6.394040000000002 0.000000000000000 -1.596930000000000
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98 3 6.394040000000002 0.000000000000000 1.596930000000000
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99 1 6.394040000000002 1.845800357604618 0.000000000000000
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100 2 7.992550000000003 2.768700536406927 -1.596930000000000
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101 3 7.992550000000003 2.768700536406927 1.596930000000000
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102 1 7.992550000000003 4.614500894011545 0.000000000000000
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103 2 9.591060000000003 5.537401072813854 -1.596930000000000
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104 3 9.591060000000003 5.537401072813854 1.596930000000000
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105 1 9.591060000000003 7.383201430418472 0.000000000000000
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106 2 11.189570000000004 8.306101609220781 -1.596930000000000
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107 3 11.189570000000004 8.306101609220781 1.596930000000000
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108 1 11.189570000000004 10.151901966825399 0.000000000000000
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109 2 12.788080000000004 11.074802145627708 -1.596930000000000
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110 3 12.788080000000004 11.074802145627708 1.596930000000000
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111 1 12.788080000000004 12.920602503232326 0.000000000000000
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112 2 14.386590000000005 13.843502682034635 -1.596930000000000
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113 3 14.386590000000005 13.843502682034635 1.596930000000000
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114 1 14.386590000000005 15.689303039639253 0.000000000000000
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115 2 15.985100000000006 16.612203218441562 -1.596930000000000
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116 3 15.985100000000006 16.612203218441562 1.596930000000000
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117 1 15.985100000000006 18.458003576046180 0.000000000000000
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118 2 17.583610000000006 19.380903754848489 -1.596930000000000
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119 3 17.583610000000006 19.380903754848489 1.596930000000000
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120 1 17.583610000000006 21.226704112453107 0.000000000000000
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121 2 19.182120000000007 22.149604291255416 -1.596930000000000
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122 3 19.182120000000007 22.149604291255416 1.596930000000000
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123 1 19.182120000000007 23.995404648860034 0.000000000000000
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124 2 20.780630000000007 24.918304827662343 -1.596930000000000
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125 3 20.780630000000007 24.918304827662343 1.596930000000000
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126 1 20.780630000000007 26.764105185266961 0.000000000000000
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127 2 22.379140000000008 27.687005364069270 -1.596930000000000
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128 3 22.379140000000008 27.687005364069270 1.596930000000000
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129 1 22.379140000000008 29.532805721673888 0.000000000000000
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130 2 23.977650000000008 30.455705900476197 -1.596930000000000
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131 3 23.977650000000008 30.455705900476197 1.596930000000000
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132 1 23.977650000000008 32.301506258080815 0.000000000000000
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133 2 25.576160000000009 33.224406436883124 -1.596930000000000
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134 3 25.576160000000009 33.224406436883124 1.596930000000000
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135 1 25.576160000000009 35.070206794487742 0.000000000000000
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136 2 27.174670000000009 35.993106973290051 -1.596930000000000
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137 3 27.174670000000009 35.993106973290051 1.596930000000000
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138 1 27.174670000000009 37.838907330894669 0.000000000000000
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139 2 28.773180000000010 38.761807509696978 -1.596930000000000
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140 3 28.773180000000010 38.761807509696978 1.596930000000000
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141 1 28.773180000000010 40.607607867301596 0.000000000000000
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142 2 30.371690000000011 41.530508046103905 -1.596930000000000
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143 3 30.371690000000011 41.530508046103905 1.596930000000000
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144 1 30.371690000000011 43.376308403708523 0.000000000000000
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145 2 9.591060000000003 0.000000000000000 -1.596930000000000
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146 3 9.591060000000003 0.000000000000000 1.596930000000000
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147 1 9.591060000000003 1.845800357604618 0.000000000000000
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148 2 11.189570000000004 2.768700536406927 -1.596930000000000
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149 3 11.189570000000004 2.768700536406927 1.596930000000000
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150 1 11.189570000000004 4.614500894011545 0.000000000000000
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151 2 12.788080000000004 5.537401072813854 -1.596930000000000
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152 3 12.788080000000004 5.537401072813854 1.596930000000000
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153 1 12.788080000000004 7.383201430418472 0.000000000000000
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154 2 14.386590000000005 8.306101609220781 -1.596930000000000
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155 3 14.386590000000005 8.306101609220781 1.596930000000000
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156 1 14.386590000000005 10.151901966825399 0.000000000000000
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157 2 15.985100000000006 11.074802145627708 -1.596930000000000
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158 3 15.985100000000006 11.074802145627708 1.596930000000000
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159 1 15.985100000000006 12.920602503232326 0.000000000000000
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160 2 17.583610000000006 13.843502682034635 -1.596930000000000
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161 3 17.583610000000006 13.843502682034635 1.596930000000000
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162 1 17.583610000000006 15.689303039639253 0.000000000000000
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163 2 19.182120000000007 16.612203218441562 -1.596930000000000
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164 3 19.182120000000007 16.612203218441562 1.596930000000000
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165 1 19.182120000000007 18.458003576046180 0.000000000000000
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166 2 20.780630000000007 19.380903754848489 -1.596930000000000
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167 3 20.780630000000007 19.380903754848489 1.596930000000000
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168 1 20.780630000000007 21.226704112453107 0.000000000000000
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169 2 22.379140000000008 22.149604291255416 -1.596930000000000
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170 3 22.379140000000008 22.149604291255416 1.596930000000000
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171 1 22.379140000000008 23.995404648860034 0.000000000000000
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173 3 23.977650000000008 24.918304827662343 1.596930000000000
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174 1 23.977650000000008 26.764105185266961 0.000000000000000
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175 2 25.576160000000009 27.687005364069270 -1.596930000000000
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176 3 25.576160000000009 27.687005364069270 1.596930000000000
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177 1 25.576160000000009 29.532805721673888 0.000000000000000
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178 2 27.174670000000009 30.455705900476197 -1.596930000000000
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179 3 27.174670000000009 30.455705900476197 1.596930000000000
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180 1 27.174670000000009 32.301506258080815 0.000000000000000
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181 2 28.773180000000010 33.224406436883124 -1.596930000000000
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182 3 28.773180000000010 33.224406436883124 1.596930000000000
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183 1 28.773180000000010 35.070206794487742 0.000000000000000
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185 3 30.371690000000011 35.993106973290051 1.596930000000000
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186 1 30.371690000000011 37.838907330894669 0.000000000000000
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187 2 31.970200000000011 38.761807509696978 -1.596930000000000
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188 3 31.970200000000011 38.761807509696978 1.596930000000000
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189 1 31.970200000000011 40.607607867301596 0.000000000000000
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190 2 33.568710000000012 41.530508046103905 -1.596930000000000
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191 3 33.568710000000012 41.530508046103905 1.596930000000000
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192 1 33.568710000000012 43.376308403708523 0.000000000000000
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193 2 12.788080000000004 0.000000000000000 -1.596930000000000
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194 3 12.788080000000004 0.000000000000000 1.596930000000000
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195 1 12.788080000000004 1.845800357604618 0.000000000000000
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198 1 14.386590000000005 4.614500894011545 0.000000000000000
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203 3 17.583610000000006 8.306101609220781 1.596930000000000
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204 1 17.583610000000006 10.151901966825399 0.000000000000000
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205 2 19.182120000000007 11.074802145627708 -1.596930000000000
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206 3 19.182120000000007 11.074802145627708 1.596930000000000
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207 1 19.182120000000007 12.920602503232326 0.000000000000000
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209 3 20.780630000000007 13.843502682034635 1.596930000000000
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210 1 20.780630000000007 15.689303039639253 0.000000000000000
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211 2 22.379140000000008 16.612203218441562 -1.596930000000000
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212 3 22.379140000000008 16.612203218441562 1.596930000000000
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213 1 22.379140000000008 18.458003576046180 0.000000000000000
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215 3 23.977650000000008 19.380903754848489 1.596930000000000
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216 1 23.977650000000008 21.226704112453107 0.000000000000000
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218 3 25.576160000000009 22.149604291255416 1.596930000000000
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219 1 25.576160000000009 23.995404648860034 0.000000000000000
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221 3 27.174670000000009 24.918304827662343 1.596930000000000
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222 1 27.174670000000009 26.764105185266961 0.000000000000000
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223 2 28.773180000000010 27.687005364069270 -1.596930000000000
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224 3 28.773180000000010 27.687005364069270 1.596930000000000
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225 1 28.773180000000010 29.532805721673888 0.000000000000000
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227 3 30.371690000000011 30.455705900476197 1.596930000000000
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228 1 30.371690000000011 32.301506258080815 0.000000000000000
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229 2 31.970200000000011 33.224406436883124 -1.596930000000000
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230 3 31.970200000000011 33.224406436883124 1.596930000000000
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231 1 31.970200000000011 35.070206794487742 0.000000000000000
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232 2 33.568710000000012 35.993106973290051 -1.596930000000000
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233 3 33.568710000000012 35.993106973290051 1.596930000000000
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234 1 33.568710000000012 37.838907330894669 0.000000000000000
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235 2 35.167220000000012 38.761807509696978 -1.596930000000000
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236 3 35.167220000000012 38.761807509696978 1.596930000000000
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237 1 35.167220000000012 40.607607867301596 0.000000000000000
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238 2 36.765730000000013 41.530508046103905 -1.596930000000000
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239 3 36.765730000000013 41.530508046103905 1.596930000000000
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240 1 36.765730000000013 43.376308403708523 0.000000000000000
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241 2 15.985100000000006 0.000000000000000 -1.596930000000000
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242 3 15.985100000000006 0.000000000000000 1.596930000000000
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243 1 15.985100000000006 1.845800357604618 0.000000000000000
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244 2 17.583610000000006 2.768700536406927 -1.596930000000000
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245 3 17.583610000000006 2.768700536406927 1.596930000000000
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246 1 17.583610000000006 4.614500894011545 0.000000000000000
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247 2 19.182120000000007 5.537401072813854 -1.596930000000000
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248 3 19.182120000000007 5.537401072813854 1.596930000000000
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249 1 19.182120000000007 7.383201430418472 0.000000000000000
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250 2 20.780630000000007 8.306101609220781 -1.596930000000000
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251 3 20.780630000000007 8.306101609220781 1.596930000000000
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252 1 20.780630000000007 10.151901966825399 0.000000000000000
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253 2 22.379140000000008 11.074802145627708 -1.596930000000000
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254 3 22.379140000000008 11.074802145627708 1.596930000000000
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255 1 22.379140000000008 12.920602503232326 0.000000000000000
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256 2 23.977650000000008 13.843502682034635 -1.596930000000000
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257 3 23.977650000000008 13.843502682034635 1.596930000000000
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258 1 23.977650000000008 15.689303039639253 0.000000000000000
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259 2 25.576160000000009 16.612203218441562 -1.596930000000000
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260 3 25.576160000000009 16.612203218441562 1.596930000000000
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261 1 25.576160000000009 18.458003576046180 0.000000000000000
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262 2 27.174670000000009 19.380903754848489 -1.596930000000000
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263 3 27.174670000000009 19.380903754848489 1.596930000000000
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264 1 27.174670000000009 21.226704112453107 0.000000000000000
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265 2 28.773180000000010 22.149604291255416 -1.596930000000000
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266 3 28.773180000000010 22.149604291255416 1.596930000000000
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