1746 lines
107 KiB
Plaintext
1746 lines
107 KiB
Plaintext
LAMMPS data file
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1728 atoms
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2 atom types
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0.0 24.71947842 xlo xhi
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0.0 24.71947842 ylo yhi
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0.0 24.71947842 zlo zhi
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Masses
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1 58.69340000
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2 15.99940000
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Atoms # charge
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1 1 1.04034270 0.00000000 0.00000000 0.00000000
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2 1 1.04034270 2.05995654 2.05995654 0.00000000
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3 1 1.04034270 2.05995654 0.00000000 2.05995654
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4 1 1.04034270 0.00000000 2.05995654 2.05995654
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5 1 1.04034270 0.00000000 0.00000000 4.11991307
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6 1 1.04034270 2.05995654 2.05995654 4.11991307
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7 1 1.04034270 2.05995654 0.00000000 6.17986961
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8 1 1.04034270 0.00000000 2.05995654 6.17986961
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9 1 1.04034270 0.00000000 0.00000000 8.23982614
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10 1 1.04034270 2.05995654 2.05995654 8.23982614
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11 1 1.04034270 2.05995654 0.00000000 10.29978268
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12 1 1.04034270 0.00000000 2.05995654 10.29978268
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13 1 1.04034270 0.00000000 0.00000000 12.35973921
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14 1 1.04034270 2.05995654 2.05995654 12.35973921
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15 1 1.04034270 2.05995654 0.00000000 14.41969575
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16 1 1.04034270 0.00000000 2.05995654 14.41969575
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17 1 1.04034270 0.00000000 0.00000000 16.47965228
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18 1 1.04034270 2.05995654 2.05995654 16.47965228
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19 1 1.04034270 2.05995654 0.00000000 18.53960882
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20 1 1.04034270 0.00000000 2.05995654 18.53960882
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21 1 1.04034270 0.00000000 0.00000000 20.59956535
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22 1 1.04034270 2.05995654 2.05995654 20.59956535
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23 1 1.04034270 2.05995654 0.00000000 22.65952189
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24 1 1.04034270 0.00000000 2.05995654 22.65952189
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25 1 1.04034270 0.00000000 4.11991307 0.00000000
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26 1 1.04034270 2.05995654 6.17986961 0.00000000
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27 1 1.04034270 2.05995654 4.11991307 2.05995654
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28 1 1.04034270 0.00000000 6.17986961 2.05995654
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29 1 1.04034270 0.00000000 4.11991307 4.11991307
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30 1 1.04034270 2.05995654 6.17986961 4.11991307
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31 1 1.04034270 2.05995654 4.11991307 6.17986961
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32 1 1.04034270 0.00000000 6.17986961 6.17986961
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33 1 1.04034270 0.00000000 4.11991307 8.23982614
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34 1 1.04034270 2.05995654 6.17986961 8.23982614
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35 1 1.04034270 2.05995654 4.11991307 10.29978268
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36 1 1.04034270 0.00000000 6.17986961 10.29978268
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37 1 1.04034270 0.00000000 4.11991307 12.35973921
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38 1 1.04034270 2.05995654 6.17986961 12.35973921
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39 1 1.04034270 2.05995654 4.11991307 14.41969575
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40 1 1.04034270 0.00000000 6.17986961 14.41969575
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41 1 1.04034270 0.00000000 4.11991307 16.47965228
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42 1 1.04034270 2.05995654 6.17986961 16.47965228
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43 1 1.04034270 2.05995654 4.11991307 18.53960882
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44 1 1.04034270 0.00000000 6.17986961 18.53960882
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45 1 1.04034270 0.00000000 4.11991307 20.59956535
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46 1 1.04034270 2.05995654 6.17986961 20.59956535
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47 1 1.04034270 2.05995654 4.11991307 22.65952189
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48 1 1.04034270 0.00000000 6.17986961 22.65952189
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49 1 1.04034270 0.00000000 8.23982614 0.00000000
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50 1 1.04034270 2.05995654 10.29978268 0.00000000
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51 1 1.04034270 2.05995654 8.23982614 2.05995654
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52 1 1.04034270 0.00000000 10.29978268 2.05995654
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53 1 1.04034270 0.00000000 8.23982614 4.11991307
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54 1 1.04034270 2.05995654 10.29978268 4.11991307
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55 1 1.04034270 2.05995654 8.23982614 6.17986961
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56 1 1.04034270 0.00000000 10.29978268 6.17986961
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57 1 1.04034270 0.00000000 8.23982614 8.23982614
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58 1 1.04034270 2.05995654 10.29978268 8.23982614
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59 1 1.04034270 2.05995654 8.23982614 10.29978268
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60 1 1.04034270 0.00000000 10.29978268 10.29978268
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61 1 1.04034270 0.00000000 8.23982614 12.35973921
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62 1 1.04034270 2.05995654 10.29978268 12.35973921
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63 1 1.04034270 2.05995654 8.23982614 14.41969575
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64 1 1.04034270 0.00000000 10.29978268 14.41969575
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65 1 1.04034270 0.00000000 8.23982614 16.47965228
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66 1 1.04034270 2.05995654 10.29978268 16.47965228
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67 1 1.04034270 2.05995654 8.23982614 18.53960882
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68 1 1.04034270 0.00000000 10.29978268 18.53960882
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69 1 1.04034270 0.00000000 8.23982614 20.59956535
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70 1 1.04034270 2.05995654 10.29978268 20.59956535
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71 1 1.04034270 2.05995654 8.23982614 22.65952189
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72 1 1.04034270 0.00000000 10.29978268 22.65952189
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73 1 1.04034270 0.00000000 12.35973921 0.00000000
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74 1 1.04034270 2.05995654 14.41969575 0.00000000
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75 1 1.04034270 2.05995654 12.35973921 2.05995654
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76 1 1.04034270 0.00000000 14.41969575 2.05995654
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77 1 1.04034270 0.00000000 12.35973921 4.11991307
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78 1 1.04034270 2.05995654 14.41969575 4.11991307
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79 1 1.04034270 2.05995654 12.35973921 6.17986961
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80 1 1.04034270 0.00000000 14.41969575 6.17986961
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81 1 1.04034270 0.00000000 12.35973921 8.23982614
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82 1 1.04034270 2.05995654 14.41969575 8.23982614
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83 1 1.04034270 2.05995654 12.35973921 10.29978268
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84 1 1.04034270 0.00000000 14.41969575 10.29978268
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85 1 1.04034270 0.00000000 12.35973921 12.35973921
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86 1 1.04034270 2.05995654 14.41969575 12.35973921
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87 1 1.04034270 2.05995654 12.35973921 14.41969575
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88 1 1.04034270 0.00000000 14.41969575 14.41969575
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89 1 1.04034270 0.00000000 12.35973921 16.47965228
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90 1 1.04034270 2.05995654 14.41969575 16.47965228
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91 1 1.04034270 2.05995654 12.35973921 18.53960882
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92 1 1.04034270 0.00000000 14.41969575 18.53960882
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93 1 1.04034270 0.00000000 12.35973921 20.59956535
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94 1 1.04034270 2.05995654 14.41969575 20.59956535
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95 1 1.04034270 2.05995654 12.35973921 22.65952189
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96 1 1.04034270 0.00000000 14.41969575 22.65952189
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97 1 1.04034270 0.00000000 16.47965228 0.00000000
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98 1 1.04034270 2.05995654 18.53960882 0.00000000
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99 1 1.04034270 2.05995654 16.47965228 2.05995654
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100 1 1.04034270 0.00000000 18.53960882 2.05995654
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101 1 1.04034270 0.00000000 16.47965228 4.11991307
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102 1 1.04034270 2.05995654 18.53960882 4.11991307
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103 1 1.04034270 2.05995654 16.47965228 6.17986961
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104 1 1.04034270 0.00000000 18.53960882 6.17986961
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105 1 1.04034270 0.00000000 16.47965228 8.23982614
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106 1 1.04034270 2.05995654 18.53960882 8.23982614
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107 1 1.04034270 2.05995654 16.47965228 10.29978268
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108 1 1.04034270 0.00000000 18.53960882 10.29978268
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109 1 1.04034270 0.00000000 16.47965228 12.35973921
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110 1 1.04034270 2.05995654 18.53960882 12.35973921
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111 1 1.04034270 2.05995654 16.47965228 14.41969575
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112 1 1.04034270 0.00000000 18.53960882 14.41969575
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113 1 1.04034270 0.00000000 16.47965228 16.47965228
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114 1 1.04034270 2.05995654 18.53960882 16.47965228
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115 1 1.04034270 2.05995654 16.47965228 18.53960882
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116 1 1.04034270 0.00000000 18.53960882 18.53960882
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117 1 1.04034270 0.00000000 16.47965228 20.59956535
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118 1 1.04034270 2.05995654 18.53960882 20.59956535
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119 1 1.04034270 2.05995654 16.47965228 22.65952189
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120 1 1.04034270 0.00000000 18.53960882 22.65952189
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121 1 1.04034270 0.00000000 20.59956535 0.00000000
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122 1 1.04034270 2.05995654 22.65952189 0.00000000
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123 1 1.04034270 2.05995654 20.59956535 2.05995654
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124 1 1.04034270 0.00000000 22.65952189 2.05995654
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125 1 1.04034270 0.00000000 20.59956535 4.11991307
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126 1 1.04034270 2.05995654 22.65952189 4.11991307
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127 1 1.04034270 2.05995654 20.59956535 6.17986961
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128 1 1.04034270 0.00000000 22.65952189 6.17986961
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129 1 1.04034270 0.00000000 20.59956535 8.23982614
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130 1 1.04034270 2.05995654 22.65952189 8.23982614
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131 1 1.04034270 2.05995654 20.59956535 10.29978268
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132 1 1.04034270 0.00000000 22.65952189 10.29978268
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133 1 1.04034270 0.00000000 20.59956535 12.35973921
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134 1 1.04034270 2.05995654 22.65952189 12.35973921
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135 1 1.04034270 2.05995654 20.59956535 14.41969575
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136 1 1.04034270 0.00000000 22.65952189 14.41969575
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137 1 1.04034270 0.00000000 20.59956535 16.47965228
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138 1 1.04034270 2.05995654 22.65952189 16.47965228
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139 1 1.04034270 2.05995654 20.59956535 18.53960882
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140 1 1.04034270 0.00000000 22.65952189 18.53960882
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141 1 1.04034270 0.00000000 20.59956535 20.59956535
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142 1 1.04034270 2.05995654 22.65952189 20.59956535
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143 1 1.04034270 2.05995654 20.59956535 22.65952189
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144 1 1.04034270 0.00000000 22.65952189 22.65952189
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145 1 1.04034270 4.11991307 0.00000000 0.00000000
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146 1 1.04034270 6.17986961 2.05995654 0.00000000
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147 1 1.04034270 6.17986961 0.00000000 2.05995654
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148 1 1.04034270 4.11991307 2.05995654 2.05995654
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149 1 1.04034270 4.11991307 0.00000000 4.11991307
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150 1 1.04034270 6.17986961 2.05995654 4.11991307
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151 1 1.04034270 6.17986961 0.00000000 6.17986961
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152 1 1.04034270 4.11991307 2.05995654 6.17986961
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153 1 1.04034270 4.11991307 0.00000000 8.23982614
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154 1 1.04034270 6.17986961 2.05995654 8.23982614
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155 1 1.04034270 6.17986961 0.00000000 10.29978268
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156 1 1.04034270 4.11991307 2.05995654 10.29978268
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157 1 1.04034270 4.11991307 0.00000000 12.35973921
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158 1 1.04034270 6.17986961 2.05995654 12.35973921
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159 1 1.04034270 6.17986961 0.00000000 14.41969575
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160 1 1.04034270 4.11991307 2.05995654 14.41969575
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161 1 1.04034270 4.11991307 0.00000000 16.47965228
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162 1 1.04034270 6.17986961 2.05995654 16.47965228
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163 1 1.04034270 6.17986961 0.00000000 18.53960882
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164 1 1.04034270 4.11991307 2.05995654 18.53960882
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165 1 1.04034270 4.11991307 0.00000000 20.59956535
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166 1 1.04034270 6.17986961 2.05995654 20.59956535
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167 1 1.04034270 6.17986961 0.00000000 22.65952189
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168 1 1.04034270 4.11991307 2.05995654 22.65952189
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169 1 1.04034270 4.11991307 4.11991307 0.00000000
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170 1 1.04034270 6.17986961 6.17986961 0.00000000
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171 1 1.04034270 6.17986961 4.11991307 2.05995654
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172 1 1.04034270 4.11991307 6.17986961 2.05995654
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173 1 1.04034270 4.11991307 4.11991307 4.11991307
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174 1 1.04034270 6.17986961 6.17986961 4.11991307
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175 1 1.04034270 6.17986961 4.11991307 6.17986961
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176 1 1.04034270 4.11991307 6.17986961 6.17986961
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177 1 1.04034270 4.11991307 4.11991307 8.23982614
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178 1 1.04034270 6.17986961 6.17986961 8.23982614
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179 1 1.04034270 6.17986961 4.11991307 10.29978268
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180 1 1.04034270 4.11991307 6.17986961 10.29978268
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181 1 1.04034270 4.11991307 4.11991307 12.35973921
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182 1 1.04034270 6.17986961 6.17986961 12.35973921
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183 1 1.04034270 6.17986961 4.11991307 14.41969575
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184 1 1.04034270 4.11991307 6.17986961 14.41969575
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185 1 1.04034270 4.11991307 4.11991307 16.47965228
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186 1 1.04034270 6.17986961 6.17986961 16.47965228
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187 1 1.04034270 6.17986961 4.11991307 18.53960882
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188 1 1.04034270 4.11991307 6.17986961 18.53960882
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189 1 1.04034270 4.11991307 4.11991307 20.59956535
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190 1 1.04034270 6.17986961 6.17986961 20.59956535
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191 1 1.04034270 6.17986961 4.11991307 22.65952189
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192 1 1.04034270 4.11991307 6.17986961 22.65952189
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193 1 1.04034270 4.11991307 8.23982614 0.00000000
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194 1 1.04034270 6.17986961 10.29978268 0.00000000
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195 1 1.04034270 6.17986961 8.23982614 2.05995654
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196 1 1.04034270 4.11991307 10.29978268 2.05995654
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197 1 1.04034270 4.11991307 8.23982614 4.11991307
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198 1 1.04034270 6.17986961 10.29978268 4.11991307
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199 1 1.04034270 6.17986961 8.23982614 6.17986961
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200 1 1.04034270 4.11991307 10.29978268 6.17986961
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201 1 1.04034270 4.11991307 8.23982614 8.23982614
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202 1 1.04034270 6.17986961 10.29978268 8.23982614
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203 1 1.04034270 6.17986961 8.23982614 10.29978268
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204 1 1.04034270 4.11991307 10.29978268 10.29978268
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205 1 1.04034270 4.11991307 8.23982614 12.35973921
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206 1 1.04034270 6.17986961 10.29978268 12.35973921
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207 1 1.04034270 6.17986961 8.23982614 14.41969575
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208 1 1.04034270 4.11991307 10.29978268 14.41969575
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209 1 1.04034270 4.11991307 8.23982614 16.47965228
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210 1 1.04034270 6.17986961 10.29978268 16.47965228
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211 1 1.04034270 6.17986961 8.23982614 18.53960882
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212 1 1.04034270 4.11991307 10.29978268 18.53960882
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213 1 1.04034270 4.11991307 8.23982614 20.59956535
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214 1 1.04034270 6.17986961 10.29978268 20.59956535
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215 1 1.04034270 6.17986961 8.23982614 22.65952189
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216 1 1.04034270 4.11991307 10.29978268 22.65952189
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217 1 1.04034270 4.11991307 12.35973921 0.00000000
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218 1 1.04034270 6.17986961 14.41969575 0.00000000
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219 1 1.04034270 6.17986961 12.35973921 2.05995654
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220 1 1.04034270 4.11991307 14.41969575 2.05995654
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221 1 1.04034270 4.11991307 12.35973921 4.11991307
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222 1 1.04034270 6.17986961 14.41969575 4.11991307
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223 1 1.04034270 6.17986961 12.35973921 6.17986961
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224 1 1.04034270 4.11991307 14.41969575 6.17986961
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225 1 1.04034270 4.11991307 12.35973921 8.23982614
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226 1 1.04034270 6.17986961 14.41969575 8.23982614
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227 1 1.04034270 6.17986961 12.35973921 10.29978268
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228 1 1.04034270 4.11991307 14.41969575 10.29978268
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229 1 1.04034270 4.11991307 12.35973921 12.35973921
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230 1 1.04034270 6.17986961 14.41969575 12.35973921
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231 1 1.04034270 6.17986961 12.35973921 14.41969575
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232 1 1.04034270 4.11991307 14.41969575 14.41969575
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233 1 1.04034270 4.11991307 12.35973921 16.47965228
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234 1 1.04034270 6.17986961 14.41969575 16.47965228
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235 1 1.04034270 6.17986961 12.35973921 18.53960882
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236 1 1.04034270 4.11991307 14.41969575 18.53960882
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237 1 1.04034270 4.11991307 12.35973921 20.59956535
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238 1 1.04034270 6.17986961 14.41969575 20.59956535
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239 1 1.04034270 6.17986961 12.35973921 22.65952189
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240 1 1.04034270 4.11991307 14.41969575 22.65952189
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241 1 1.04034270 4.11991307 16.47965228 0.00000000
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242 1 1.04034270 6.17986961 18.53960882 0.00000000
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243 1 1.04034270 6.17986961 16.47965228 2.05995654
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244 1 1.04034270 4.11991307 18.53960882 2.05995654
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245 1 1.04034270 4.11991307 16.47965228 4.11991307
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246 1 1.04034270 6.17986961 18.53960882 4.11991307
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247 1 1.04034270 6.17986961 16.47965228 6.17986961
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248 1 1.04034270 4.11991307 18.53960882 6.17986961
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249 1 1.04034270 4.11991307 16.47965228 8.23982614
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250 1 1.04034270 6.17986961 18.53960882 8.23982614
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251 1 1.04034270 6.17986961 16.47965228 10.29978268
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252 1 1.04034270 4.11991307 18.53960882 10.29978268
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253 1 1.04034270 4.11991307 16.47965228 12.35973921
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254 1 1.04034270 6.17986961 18.53960882 12.35973921
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255 1 1.04034270 6.17986961 16.47965228 14.41969575
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256 1 1.04034270 4.11991307 18.53960882 14.41969575
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257 1 1.04034270 4.11991307 16.47965228 16.47965228
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258 1 1.04034270 6.17986961 18.53960882 16.47965228
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259 1 1.04034270 6.17986961 16.47965228 18.53960882
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260 1 1.04034270 4.11991307 18.53960882 18.53960882
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261 1 1.04034270 4.11991307 16.47965228 20.59956535
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262 1 1.04034270 6.17986961 18.53960882 20.59956535
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