516 lines
33 KiB
Plaintext
516 lines
33 KiB
Plaintext
#Generated by cif2cell 1.2.10 from COD reference: 9008463. : Wyckoff, R. W. G., Crystal Structures 1, 7-83 (1963).
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500 atoms
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1 atom types
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0.0 20.391250 xlo xhi
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0.0 20.391250 ylo yhi
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0.0 20.391250 zlo zhi
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Masses
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1 100
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Atoms
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1 1 0.000000000000000 0.000000000000000 0.000000000000000
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2 1 0.000000000000000 2.039125000000000 2.039125000000000
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3 1 2.039125000000000 0.000000000000000 2.039125000000000
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4 1 2.039125000000000 2.039125000000000 0.000000000000000
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5 1 8.156499999999999 16.312999999999995 0.000000000000000
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6 1 12.234750000000002 4.078249999999999 0.000000000000000
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7 1 12.234750000000002 12.234750000000002 12.234750000000002
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8 1 0.000000000000000 0.000000000000000 12.234750000000002
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9 1 8.156499999999999 12.234750000000002 8.156499999999998
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10 1 8.156499999999999 4.078249999999999 0.000000000000000
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11 1 16.312999999999999 0.000000000000000 12.234750000000002
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12 1 4.078250000000000 12.234750000000002 8.156499999999998
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13 1 8.156499999999999 0.000000000000000 8.156499999999998
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14 1 16.312999999999999 16.312999999999995 8.156499999999998
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15 1 4.078250000000000 4.078249999999999 0.000000000000000
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16 1 16.312999999999999 8.156499999999998 0.000000000000000
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17 1 12.234750000000002 4.078249999999999 4.078249999999999
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18 1 16.312999999999999 0.000000000000000 16.312999999999995
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19 1 0.000000000000000 12.234750000000002 8.156499999999998
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20 1 16.312999999999999 8.156499999999998 12.234750000000002
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21 1 0.000000000000000 4.078249999999999 0.000000000000000
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22 1 16.312999999999999 0.000000000000000 4.078249999999999
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23 1 12.234750000000002 16.312999999999995 8.156499999999998
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24 1 12.234750000000002 4.078249999999999 8.156499999999998
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25 1 0.000000000000000 4.078249999999999 12.234750000000002
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26 1 8.156499999999999 16.312999999999995 8.156499999999998
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27 1 12.234750000000002 8.156499999999998 16.312999999999995
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28 1 8.156499999999999 8.156499999999998 0.000000000000000
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29 1 12.234750000000002 16.312999999999995 12.234750000000002
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30 1 12.234750000000002 0.000000000000000 4.078249999999999
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31 1 4.078250000000000 16.312999999999995 8.156499999999998
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32 1 12.234750000000002 4.078249999999999 12.234750000000002
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33 1 4.078250000000000 8.156499999999998 0.000000000000000
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34 1 16.312999999999999 12.234750000000002 0.000000000000000
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35 1 8.156499999999999 0.000000000000000 16.312999999999995
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36 1 8.156499999999999 8.156499999999998 4.078249999999999
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37 1 16.312999999999999 12.234750000000002 12.234750000000002
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38 1 4.078250000000000 0.000000000000000 4.078249999999999
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39 1 12.234750000000002 4.078249999999999 16.312999999999995
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40 1 16.312999999999999 4.078249999999999 4.078249999999999
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41 1 0.000000000000000 8.156499999999998 12.234750000000002
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42 1 16.312999999999999 4.078249999999999 16.312999999999995
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43 1 0.000000000000000 0.000000000000000 4.078249999999999
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44 1 8.156499999999999 8.156499999999998 8.156499999999998
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45 1 8.156499999999999 12.234750000000002 0.000000000000000
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46 1 0.000000000000000 0.000000000000000 16.312999999999995
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47 1 8.156499999999999 12.234750000000002 12.234750000000002
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48 1 8.156499999999999 4.078249999999999 4.078249999999999
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49 1 4.078250000000000 12.234750000000002 0.000000000000000
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50 1 12.234750000000002 8.156499999999998 4.078249999999999
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51 1 16.312999999999999 16.312999999999995 0.000000000000000
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52 1 8.156499999999999 8.156499999999998 12.234750000000002
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53 1 8.156499999999999 4.078249999999999 16.312999999999995
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54 1 16.312999999999999 16.312999999999995 12.234750000000002
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55 1 12.234750000000002 16.312999999999995 4.078249999999999
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56 1 4.078250000000000 4.078249999999999 4.078249999999999
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57 1 16.312999999999999 8.156499999999998 4.078249999999999
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58 1 8.156499999999999 4.078249999999999 8.156499999999998
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59 1 8.156499999999999 8.156499999999998 16.312999999999995
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60 1 4.078250000000000 4.078249999999999 16.312999999999995
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61 1 0.000000000000000 16.312999999999995 4.078249999999999
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62 1 16.312999999999999 8.156499999999998 16.312999999999995
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63 1 0.000000000000000 4.078249999999999 4.078249999999999
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64 1 16.312999999999999 0.000000000000000 8.156499999999998
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65 1 8.156499999999999 0.000000000000000 4.078249999999999
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66 1 8.156499999999999 4.078249999999999 12.234750000000002
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67 1 0.000000000000000 4.078249999999999 16.312999999999995
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68 1 8.156499999999999 16.312999999999995 12.234750000000002
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69 1 4.078250000000000 16.312999999999995 0.000000000000000
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70 1 4.078250000000000 8.156499999999998 4.078249999999999
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71 1 4.078250000000000 16.312999999999995 12.234750000000002
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72 1 4.078250000000000 12.234750000000002 12.234750000000002
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73 1 0.000000000000000 16.312999999999995 0.000000000000000
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74 1 16.312999999999999 12.234750000000002 4.078249999999999
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75 1 12.234750000000002 0.000000000000000 16.312999999999995
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76 1 4.078250000000000 8.156499999999998 16.312999999999995
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77 1 4.078250000000000 8.156499999999998 8.156499999999998
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78 1 16.312999999999999 12.234750000000002 16.312999999999995
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79 1 0.000000000000000 8.156499999999998 4.078249999999999
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80 1 16.312999999999999 4.078249999999999 8.156499999999998
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81 1 0.000000000000000 8.156499999999998 16.312999999999995
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82 1 0.000000000000000 12.234750000000002 0.000000000000000
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83 1 12.234750000000002 0.000000000000000 12.234750000000002
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84 1 12.234750000000002 12.234750000000002 16.312999999999995
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85 1 0.000000000000000 0.000000000000000 8.156499999999998
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86 1 4.078250000000000 8.156499999999998 12.234750000000002
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87 1 8.156499999999999 12.234750000000002 4.078249999999999
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88 1 12.234750000000002 16.312999999999995 0.000000000000000
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89 1 8.156499999999999 12.234750000000002 16.312999999999995
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90 1 0.000000000000000 12.234750000000002 4.078249999999999
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91 1 4.078250000000000 12.234750000000002 4.078249999999999
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92 1 12.234750000000002 0.000000000000000 8.156499999999998
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93 1 16.312999999999999 16.312999999999995 4.078249999999999
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94 1 0.000000000000000 16.312999999999995 12.234750000000002
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95 1 4.078250000000000 12.234750000000002 16.312999999999995
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96 1 16.312999999999999 16.312999999999995 16.312999999999995
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97 1 0.000000000000000 8.156499999999998 0.000000000000000
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98 1 12.234750000000002 8.156499999999998 8.156499999999998
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99 1 4.078250000000000 4.078249999999999 8.156499999999998
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100 1 16.312999999999999 8.156499999999998 8.156499999999998
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101 1 4.078250000000000 4.078249999999999 12.234750000000002
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102 1 16.312999999999999 0.000000000000000 0.000000000000000
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103 1 0.000000000000000 12.234750000000002 16.312999999999995
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104 1 12.234750000000002 16.312999999999995 16.312999999999995
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105 1 12.234750000000002 12.234750000000002 0.000000000000000
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106 1 0.000000000000000 4.078249999999999 8.156499999999998
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107 1 8.156499999999999 16.312999999999995 4.078249999999999
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108 1 4.078250000000000 0.000000000000000 8.156499999999998
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109 1 12.234750000000002 0.000000000000000 0.000000000000000
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110 1 0.000000000000000 12.234750000000002 12.234750000000002
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111 1 0.000000000000000 16.312999999999995 8.156499999999998
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112 1 8.156499999999999 16.312999999999995 16.312999999999995
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113 1 12.234750000000002 8.156499999999998 12.234750000000002
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114 1 4.078250000000000 16.312999999999995 4.078249999999999
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115 1 12.234750000000002 12.234750000000002 4.078249999999999
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116 1 8.156499999999999 0.000000000000000 0.000000000000000
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117 1 0.000000000000000 8.156499999999998 8.156499999999998
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118 1 4.078250000000000 16.312999999999995 16.312999999999995
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119 1 8.156499999999999 0.000000000000000 12.234750000000002
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120 1 12.234750000000002 8.156499999999998 0.000000000000000
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121 1 16.312999999999999 12.234750000000002 8.156499999999998
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122 1 4.078250000000000 0.000000000000000 0.000000000000000
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123 1 12.234750000000002 12.234750000000002 8.156499999999998
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124 1 16.312999999999999 4.078249999999999 0.000000000000000
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125 1 0.000000000000000 16.312999999999995 16.312999999999995
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126 1 4.078250000000000 0.000000000000000 16.312999999999995
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127 1 4.078250000000000 0.000000000000000 12.234750000000002
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128 1 16.312999999999999 4.078249999999999 12.234750000000002
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129 1 8.156499999999999 18.352124999999997 2.039125000000000
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130 1 12.234750000000002 6.117374999999998 2.039125000000000
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131 1 12.234750000000002 14.273875000000000 14.273875000000000
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132 1 0.000000000000000 2.039125000000000 14.273875000000000
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133 1 8.156499999999999 14.273875000000000 10.195625000000000
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134 1 8.156499999999999 6.117374999999998 2.039125000000000
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135 1 16.312999999999999 2.039125000000000 14.273875000000000
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136 1 4.078250000000000 14.273875000000000 10.195625000000000
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137 1 8.156499999999999 2.039125000000000 10.195625000000000
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138 1 16.312999999999999 18.352124999999997 10.195625000000000
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139 1 4.078250000000000 6.117374999999998 2.039125000000000
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140 1 16.312999999999999 10.195625000000000 2.039125000000000
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141 1 12.234750000000002 6.117374999999998 6.117374999999998
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142 1 16.312999999999999 2.039125000000000 18.352124999999997
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143 1 0.000000000000000 14.273875000000000 10.195625000000000
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144 1 16.312999999999999 10.195625000000000 14.273875000000000
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145 1 0.000000000000000 6.117374999999998 2.039125000000000
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146 1 16.312999999999999 2.039125000000000 6.117374999999998
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147 1 12.234750000000002 18.352124999999997 10.195625000000000
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148 1 12.234750000000002 6.117374999999998 10.195625000000000
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149 1 0.000000000000000 6.117374999999998 14.273875000000000
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150 1 8.156499999999999 18.352124999999997 10.195625000000000
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151 1 12.234750000000002 10.195625000000000 18.352124999999997
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152 1 8.156499999999999 10.195625000000000 2.039125000000000
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153 1 12.234750000000002 18.352124999999997 14.273875000000000
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154 1 12.234750000000002 2.039125000000000 6.117374999999998
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155 1 4.078250000000000 18.352124999999997 10.195625000000000
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156 1 12.234750000000002 6.117374999999998 14.273875000000000
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157 1 4.078250000000000 10.195625000000000 2.039125000000000
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158 1 16.312999999999999 14.273875000000000 2.039125000000000
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159 1 8.156499999999999 2.039125000000000 18.352124999999997
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160 1 8.156499999999999 10.195625000000000 6.117374999999998
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161 1 16.312999999999999 14.273875000000000 14.273875000000000
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162 1 4.078250000000000 2.039125000000000 6.117374999999998
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163 1 12.234750000000002 6.117374999999998 18.352124999999997
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164 1 16.312999999999999 6.117374999999998 6.117374999999998
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165 1 0.000000000000000 10.195625000000000 14.273875000000000
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166 1 16.312999999999999 6.117374999999998 18.352124999999997
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167 1 0.000000000000000 2.039125000000000 6.117374999999998
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168 1 8.156499999999999 10.195625000000000 10.195625000000000
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169 1 8.156499999999999 14.273875000000000 2.039125000000000
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170 1 0.000000000000000 2.039125000000000 18.352124999999997
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171 1 8.156499999999999 14.273875000000000 14.273875000000000
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172 1 8.156499999999999 6.117374999999998 6.117374999999998
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173 1 4.078250000000000 14.273875000000000 2.039125000000000
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174 1 12.234750000000002 10.195625000000000 6.117374999999998
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175 1 16.312999999999999 18.352124999999997 2.039125000000000
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176 1 8.156499999999999 10.195625000000000 14.273875000000000
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177 1 8.156499999999999 6.117374999999998 18.352124999999997
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178 1 16.312999999999999 18.352124999999997 14.273875000000000
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179 1 12.234750000000002 18.352124999999997 6.117374999999998
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180 1 4.078250000000000 6.117374999999998 6.117374999999998
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181 1 16.312999999999999 10.195625000000000 6.117374999999998
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182 1 8.156499999999999 6.117374999999998 10.195625000000000
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183 1 8.156499999999999 10.195625000000000 18.352124999999997
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184 1 4.078250000000000 6.117374999999998 18.352124999999997
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185 1 0.000000000000000 18.352124999999997 6.117374999999998
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186 1 16.312999999999999 10.195625000000000 18.352124999999997
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187 1 0.000000000000000 6.117374999999998 6.117374999999998
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188 1 16.312999999999999 2.039125000000000 10.195625000000000
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189 1 8.156499999999999 2.039125000000000 6.117374999999998
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190 1 8.156499999999999 6.117374999999998 14.273875000000000
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191 1 0.000000000000000 6.117374999999998 18.352124999999997
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192 1 8.156499999999999 18.352124999999997 14.273875000000000
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193 1 4.078250000000000 18.352124999999997 2.039125000000000
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194 1 4.078250000000000 10.195625000000000 6.117374999999998
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195 1 4.078250000000000 18.352124999999997 14.273875000000000
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196 1 4.078250000000000 14.273875000000000 14.273875000000000
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197 1 0.000000000000000 18.352124999999997 2.039125000000000
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198 1 16.312999999999999 14.273875000000000 6.117374999999998
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199 1 12.234750000000002 2.039125000000000 18.352124999999997
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200 1 4.078250000000000 10.195625000000000 18.352124999999997
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201 1 4.078250000000000 10.195625000000000 10.195625000000000
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202 1 16.312999999999999 14.273875000000000 18.352124999999997
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203 1 0.000000000000000 10.195625000000000 6.117374999999998
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204 1 16.312999999999999 6.117374999999998 10.195625000000000
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205 1 0.000000000000000 10.195625000000000 18.352124999999997
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206 1 0.000000000000000 14.273875000000000 2.039125000000000
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207 1 12.234750000000002 2.039125000000000 14.273875000000000
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208 1 12.234750000000002 14.273875000000000 18.352124999999997
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209 1 0.000000000000000 2.039125000000000 10.195625000000000
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210 1 4.078250000000000 10.195625000000000 14.273875000000000
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211 1 8.156499999999999 14.273875000000000 6.117374999999998
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212 1 12.234750000000002 18.352124999999997 2.039125000000000
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213 1 8.156499999999999 14.273875000000000 18.352124999999997
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214 1 0.000000000000000 14.273875000000000 6.117374999999998
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215 1 4.078250000000000 14.273875000000000 6.117374999999998
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216 1 12.234750000000002 2.039125000000000 10.195625000000000
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217 1 16.312999999999999 18.352124999999997 6.117374999999998
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218 1 0.000000000000000 18.352124999999997 14.273875000000000
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219 1 4.078250000000000 14.273875000000000 18.352124999999997
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220 1 16.312999999999999 18.352124999999997 18.352124999999997
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221 1 0.000000000000000 10.195625000000000 2.039125000000000
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222 1 12.234750000000002 10.195625000000000 10.195625000000000
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223 1 4.078250000000000 6.117374999999998 10.195625000000000
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224 1 16.312999999999999 10.195625000000000 10.195625000000000
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225 1 4.078250000000000 6.117374999999998 14.273875000000000
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226 1 16.312999999999999 2.039125000000000 2.039125000000000
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227 1 0.000000000000000 14.273875000000000 18.352124999999997
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228 1 12.234750000000002 18.352124999999997 18.352124999999997
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229 1 12.234750000000002 14.273875000000000 2.039125000000000
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230 1 0.000000000000000 6.117374999999998 10.195625000000000
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231 1 8.156499999999999 18.352124999999997 6.117374999999998
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232 1 4.078250000000000 2.039125000000000 10.195625000000000
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233 1 12.234750000000002 2.039125000000000 2.039125000000000
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234 1 0.000000000000000 14.273875000000000 14.273875000000000
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235 1 0.000000000000000 18.352124999999997 10.195625000000000
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236 1 8.156499999999999 18.352124999999997 18.352124999999997
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237 1 12.234750000000002 10.195625000000000 14.273875000000000
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238 1 4.078250000000000 18.352124999999997 6.117374999999998
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239 1 12.234750000000002 14.273875000000000 6.117374999999998
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240 1 8.156499999999999 2.039125000000000 2.039125000000000
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241 1 0.000000000000000 10.195625000000000 10.195625000000000
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242 1 4.078250000000000 18.352124999999997 18.352124999999997
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243 1 8.156499999999999 2.039125000000000 14.273875000000000
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244 1 12.234750000000002 10.195625000000000 2.039125000000000
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245 1 16.312999999999999 14.273875000000000 10.195625000000000
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246 1 4.078250000000000 2.039125000000000 2.039125000000000
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247 1 12.234750000000002 14.273875000000000 10.195625000000000
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248 1 16.312999999999999 6.117374999999998 2.039125000000000
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249 1 0.000000000000000 18.352124999999997 18.352124999999997
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250 1 4.078250000000000 2.039125000000000 18.352124999999997
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251 1 4.078250000000000 2.039125000000000 14.273875000000000
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252 1 16.312999999999999 6.117374999999998 14.273875000000000
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253 1 10.195625000000000 16.312999999999995 2.039125000000000
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254 1 14.273875000000004 4.078249999999999 2.039125000000000
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255 1 14.273875000000004 12.234750000000002 14.273875000000000
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256 1 2.039125000000000 0.000000000000000 14.273875000000000
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257 1 10.195625000000000 12.234750000000002 10.195625000000000
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258 1 10.195625000000000 4.078249999999999 2.039125000000000
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259 1 18.352125000000001 0.000000000000000 14.273875000000000
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260 1 6.117375000000001 12.234750000000002 10.195625000000000
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261 1 10.195625000000000 0.000000000000000 10.195625000000000
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262 1 18.352125000000001 16.312999999999995 10.195625000000000
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263 1 6.117375000000001 4.078249999999999 2.039125000000000
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264 1 18.352125000000001 8.156499999999998 2.039125000000000
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265 1 14.273875000000004 4.078249999999999 6.117374999999998
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266 1 18.352125000000001 0.000000000000000 18.352124999999997
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267 1 2.039125000000000 12.234750000000002 10.195625000000000
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268 1 18.352125000000001 8.156499999999998 14.273875000000000
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269 1 2.039125000000000 4.078249999999999 2.039125000000000
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270 1 18.352125000000001 0.000000000000000 6.117374999999998
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271 1 14.273875000000004 16.312999999999995 10.195625000000000
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272 1 14.273875000000004 4.078249999999999 10.195625000000000
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273 1 2.039125000000000 4.078249999999999 14.273875000000000
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274 1 10.195625000000000 16.312999999999995 10.195625000000000
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275 1 14.273875000000004 8.156499999999998 18.352124999999997
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276 1 10.195625000000000 8.156499999999998 2.039125000000000
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277 1 14.273875000000004 16.312999999999995 14.273875000000000
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278 1 14.273875000000004 0.000000000000000 6.117374999999998
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279 1 6.117375000000001 16.312999999999995 10.195625000000000
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280 1 14.273875000000004 4.078249999999999 14.273875000000000
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281 1 6.117375000000001 8.156499999999998 2.039125000000000
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282 1 18.352125000000001 12.234750000000002 2.039125000000000
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283 1 10.195625000000000 0.000000000000000 18.352124999999997
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284 1 10.195625000000000 8.156499999999998 6.117374999999998
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285 1 18.352125000000001 12.234750000000002 14.273875000000000
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286 1 6.117375000000001 0.000000000000000 6.117374999999998
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287 1 14.273875000000004 4.078249999999999 18.352124999999997
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288 1 18.352125000000001 4.078249999999999 6.117374999999998
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289 1 2.039125000000000 8.156499999999998 14.273875000000000
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290 1 18.352125000000001 4.078249999999999 18.352124999999997
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291 1 2.039125000000000 0.000000000000000 6.117374999999998
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499 1 6.117375000000001 2.039125000000000 12.234750000000002
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500 1 18.352125000000001 6.117374999999998 12.234750000000002
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