forked from lijiext/lammps
1522 lines
99 KiB
Plaintext
1522 lines
99 KiB
Plaintext
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Comment line
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1500 atoms
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0 bonds
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0 angles
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0 dihedrals
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0 impropers
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2 atom types
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0 bond types
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0 angle types
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0 dihedral types
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0 improper types
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0.0000000E+00 25.3446300000000 xlo xhi
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0.0000000E+00 25.3446300000000 ylo yhi
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0.0000000E+00 25.3446300000000 zlo zhi
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0.0 0.0 0.0 xy xz yz
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Atoms
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1 1 3.33500 0.00000 0.00000 0.00000
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2 1 3.33500 2.53446 2.53446 0.00000
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3 1 3.33500 0.00000 2.53446 2.53446
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4 1 3.33500 2.53446 0.00000 2.53446
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5 2 -1.66750 1.26723 1.26723 1.26723
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6 2 -1.66750 1.26723 1.26723 3.80169
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7 2 -1.66750 1.26723 3.80169 1.26723
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8 2 -1.66750 3.80169 1.26723 1.26723
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9 2 -1.66750 3.80169 3.80169 3.80169
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10 2 -1.66750 3.80169 1.26723 3.80169
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11 2 -1.66750 3.80169 3.80169 1.26723
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12 2 -1.66750 1.26723 3.80169 3.80169
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13 1 3.33500 0.00000 0.00000 5.06893
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14 1 3.33500 2.53446 2.53446 5.06893
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15 1 3.33500 0.00000 2.53446 7.60339
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16 1 3.33500 2.53446 0.00000 7.60339
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||
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17 2 -1.66750 1.26723 1.26723 6.33616
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18 2 -1.66750 1.26723 1.26723 8.87062
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19 2 -1.66750 1.26723 3.80169 6.33616
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||
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20 2 -1.66750 3.80169 1.26723 6.33616
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21 2 -1.66750 3.80169 3.80169 8.87062
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22 2 -1.66750 3.80169 1.26723 8.87062
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23 2 -1.66750 3.80169 3.80169 6.33616
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24 2 -1.66750 1.26723 3.80169 8.87062
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25 1 3.33500 0.00000 0.00000 10.13785
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26 1 3.33500 2.53446 2.53446 10.13785
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27 1 3.33500 0.00000 2.53446 12.67232
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28 1 3.33500 2.53446 0.00000 12.67232
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29 2 -1.66750 1.26723 1.26723 11.40508
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30 2 -1.66750 1.26723 1.26723 13.93955
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31 2 -1.66750 1.26723 3.80169 11.40508
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32 2 -1.66750 3.80169 1.26723 11.40508
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33 2 -1.66750 3.80169 3.80169 13.93955
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34 2 -1.66750 3.80169 1.26723 13.93955
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||
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|
35 2 -1.66750 3.80169 3.80169 11.40508
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||
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|
36 2 -1.66750 1.26723 3.80169 13.93955
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||
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|
37 1 3.33500 0.00000 0.00000 15.20678
|
||
|
|
38 1 3.33500 2.53446 2.53446 15.20678
|
||
|
|
39 1 3.33500 0.00000 2.53446 17.74124
|
||
|
|
40 1 3.33500 2.53446 0.00000 17.74124
|
||
|
|
41 2 -1.66750 1.26723 1.26723 16.47401
|
||
|
|
42 2 -1.66750 1.26723 1.26723 19.00847
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||
|
|
43 2 -1.66750 1.26723 3.80169 16.47401
|
||
|
|
44 2 -1.66750 3.80169 1.26723 16.47401
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||
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45 2 -1.66750 3.80169 3.80169 19.00847
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||
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46 2 -1.66750 3.80169 1.26723 19.00847
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47 2 -1.66750 3.80169 3.80169 16.47401
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48 2 -1.66750 1.26723 3.80169 19.00847
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49 1 3.33500 0.00000 0.00000 20.27570
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50 1 3.33500 2.53446 2.53446 20.27570
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51 1 3.33500 0.00000 2.53446 22.81017
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52 1 3.33500 2.53446 0.00000 22.81017
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53 2 -1.66750 1.26723 1.26723 21.54294
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54 2 -1.66750 1.26723 1.26723 24.07740
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55 2 -1.66750 1.26723 3.80169 21.54294
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56 2 -1.66750 3.80169 1.26723 21.54294
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57 2 -1.66750 3.80169 3.80169 24.07740
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58 2 -1.66750 3.80169 1.26723 24.07740
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59 2 -1.66750 3.80169 3.80169 21.54294
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60 2 -1.66750 1.26723 3.80169 24.07740
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61 1 3.33500 0.00000 5.06893 0.00000
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62 1 3.33500 2.53446 7.60339 0.00000
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63 1 3.33500 0.00000 7.60339 2.53446
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64 1 3.33500 2.53446 5.06893 2.53446
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65 2 -1.66750 1.26723 6.33616 1.26723
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||
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|
66 2 -1.66750 1.26723 6.33616 3.80169
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67 2 -1.66750 1.26723 8.87062 1.26723
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||
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68 2 -1.66750 3.80169 6.33616 1.26723
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69 2 -1.66750 3.80169 8.87062 3.80169
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||
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70 2 -1.66750 3.80169 6.33616 3.80169
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||
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71 2 -1.66750 3.80169 8.87062 1.26723
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||
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72 2 -1.66750 1.26723 8.87062 3.80169
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||
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|
73 1 3.33500 0.00000 5.06893 5.06893
|
||
|
|
74 1 3.33500 2.53446 7.60339 5.06893
|
||
|
|
75 1 3.33500 0.00000 7.60339 7.60339
|
||
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|
76 1 3.33500 2.53446 5.06893 7.60339
|
||
|
|
77 2 -1.66750 1.26723 6.33616 6.33616
|
||
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|
78 2 -1.66750 1.26723 6.33616 8.87062
|
||
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|
79 2 -1.66750 1.26723 8.87062 6.33616
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||
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80 2 -1.66750 3.80169 6.33616 6.33616
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||
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|
81 2 -1.66750 3.80169 8.87062 8.87062
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||
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82 2 -1.66750 3.80169 6.33616 8.87062
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|
83 2 -1.66750 3.80169 8.87062 6.33616
|
||
|
|
84 2 -1.66750 1.26723 8.87062 8.87062
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||
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|
85 1 3.33500 0.00000 5.06893 10.13785
|
||
|
|
86 1 3.33500 2.53446 7.60339 10.13785
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||
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|
87 1 3.33500 0.00000 7.60339 12.67232
|
||
|
|
88 1 3.33500 2.53446 5.06893 12.67232
|
||
|
|
89 2 -1.66750 1.26723 6.33616 11.40508
|
||
|
|
90 2 -1.66750 1.26723 6.33616 13.93955
|
||
|
|
91 2 -1.66750 1.26723 8.87062 11.40508
|
||
|
|
92 2 -1.66750 3.80169 6.33616 11.40508
|
||
|
|
93 2 -1.66750 3.80169 8.87062 13.93955
|
||
|
|
94 2 -1.66750 3.80169 6.33616 13.93955
|
||
|
|
95 2 -1.66750 3.80169 8.87062 11.40508
|
||
|
|
96 2 -1.66750 1.26723 8.87062 13.93955
|
||
|
|
97 1 3.33500 0.00000 5.06893 15.20678
|
||
|
|
98 1 3.33500 2.53446 7.60339 15.20678
|
||
|
|
99 1 3.33500 0.00000 7.60339 17.74124
|
||
|
|
100 1 3.33500 2.53446 5.06893 17.74124
|
||
|
|
101 2 -1.66750 1.26723 6.33616 16.47401
|
||
|
|
102 2 -1.66750 1.26723 6.33616 19.00847
|
||
|
|
103 2 -1.66750 1.26723 8.87062 16.47401
|
||
|
|
104 2 -1.66750 3.80169 6.33616 16.47401
|
||
|
|
105 2 -1.66750 3.80169 8.87062 19.00847
|
||
|
|
106 2 -1.66750 3.80169 6.33616 19.00847
|
||
|
|
107 2 -1.66750 3.80169 8.87062 16.47401
|
||
|
|
108 2 -1.66750 1.26723 8.87062 19.00847
|
||
|
|
109 1 3.33500 0.00000 5.06893 20.27570
|
||
|
|
110 1 3.33500 2.53446 7.60339 20.27570
|
||
|
|
111 1 3.33500 0.00000 7.60339 22.81017
|
||
|
|
112 1 3.33500 2.53446 5.06893 22.81017
|
||
|
|
113 2 -1.66750 1.26723 6.33616 21.54294
|
||
|
|
114 2 -1.66750 1.26723 6.33616 24.07740
|
||
|
|
115 2 -1.66750 1.26723 8.87062 21.54294
|
||
|
|
116 2 -1.66750 3.80169 6.33616 21.54294
|
||
|
|
117 2 -1.66750 3.80169 8.87062 24.07740
|
||
|
|
118 2 -1.66750 3.80169 6.33616 24.07740
|
||
|
|
119 2 -1.66750 3.80169 8.87062 21.54294
|
||
|
|
120 2 -1.66750 1.26723 8.87062 24.07740
|
||
|
|
121 1 3.33500 0.00000 10.13785 0.00000
|
||
|
|
122 1 3.33500 2.53446 12.67232 0.00000
|
||
|
|
123 1 3.33500 0.00000 12.67232 2.53446
|
||
|
|
124 1 3.33500 2.53446 10.13785 2.53446
|
||
|
|
125 2 -1.66750 1.26723 11.40508 1.26723
|
||
|
|
126 2 -1.66750 1.26723 11.40508 3.80169
|
||
|
|
127 2 -1.66750 1.26723 13.93955 1.26723
|
||
|
|
128 2 -1.66750 3.80169 11.40508 1.26723
|
||
|
|
129 2 -1.66750 3.80169 13.93955 3.80169
|
||
|
|
130 2 -1.66750 3.80169 11.40508 3.80169
|
||
|
|
131 2 -1.66750 3.80169 13.93955 1.26723
|
||
|
|
132 2 -1.66750 1.26723 13.93955 3.80169
|
||
|
|
133 1 3.33500 0.00000 10.13785 5.06893
|
||
|
|
134 1 3.33500 2.53446 12.67232 5.06893
|
||
|
|
135 1 3.33500 0.00000 12.67232 7.60339
|
||
|
|
136 1 3.33500 2.53446 10.13785 7.60339
|
||
|
|
137 2 -1.66750 1.26723 11.40508 6.33616
|
||
|
|
138 2 -1.66750 1.26723 11.40508 8.87062
|
||
|
|
139 2 -1.66750 1.26723 13.93955 6.33616
|
||
|
|
140 2 -1.66750 3.80169 11.40508 6.33616
|
||
|
|
141 2 -1.66750 3.80169 13.93955 8.87062
|
||
|
|
142 2 -1.66750 3.80169 11.40508 8.87062
|
||
|
|
143 2 -1.66750 3.80169 13.93955 6.33616
|
||
|
|
144 2 -1.66750 1.26723 13.93955 8.87062
|
||
|
|
145 1 3.33500 0.00000 10.13785 10.13785
|
||
|
|
146 1 3.33500 2.53446 12.67232 10.13785
|
||
|
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147 1 3.33500 0.00000 12.67232 12.67232
|
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148 1 3.33500 2.53446 10.13785 12.67232
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149 2 -1.66750 1.26723 11.40508 11.40508
|
||
|
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150 2 -1.66750 1.26723 11.40508 13.93955
|
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151 2 -1.66750 1.26723 13.93955 11.40508
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152 2 -1.66750 3.80169 11.40508 11.40508
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153 2 -1.66750 3.80169 13.93955 13.93955
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154 2 -1.66750 3.80169 11.40508 13.93955
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155 2 -1.66750 3.80169 13.93955 11.40508
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156 2 -1.66750 1.26723 13.93955 13.93955
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157 1 3.33500 0.00000 10.13785 15.20678
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158 1 3.33500 2.53446 12.67232 15.20678
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159 1 3.33500 0.00000 12.67232 17.74124
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160 1 3.33500 2.53446 10.13785 17.74124
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161 2 -1.66750 1.26723 11.40508 16.47401
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162 2 -1.66750 1.26723 11.40508 19.00847
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163 2 -1.66750 1.26723 13.93955 16.47401
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164 2 -1.66750 3.80169 11.40508 16.47401
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165 2 -1.66750 3.80169 13.93955 19.00847
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166 2 -1.66750 3.80169 11.40508 19.00847
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167 2 -1.66750 3.80169 13.93955 16.47401
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168 2 -1.66750 1.26723 13.93955 19.00847
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169 1 3.33500 0.00000 10.13785 20.27570
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170 1 3.33500 2.53446 12.67232 20.27570
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171 1 3.33500 0.00000 12.67232 22.81017
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172 1 3.33500 2.53446 10.13785 22.81017
|
||
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173 2 -1.66750 1.26723 11.40508 21.54294
|
||
|
|
174 2 -1.66750 1.26723 11.40508 24.07740
|
||
|
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175 2 -1.66750 1.26723 13.93955 21.54294
|
||
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176 2 -1.66750 3.80169 11.40508 21.54294
|
||
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177 2 -1.66750 3.80169 13.93955 24.07740
|
||
|
|
178 2 -1.66750 3.80169 11.40508 24.07740
|
||
|
|
179 2 -1.66750 3.80169 13.93955 21.54294
|
||
|
|
180 2 -1.66750 1.26723 13.93955 24.07740
|
||
|
|
181 1 3.33500 0.00000 15.20678 0.00000
|
||
|
|
182 1 3.33500 2.53446 17.74124 0.00000
|
||
|
|
183 1 3.33500 0.00000 17.74124 2.53446
|
||
|
|
184 1 3.33500 2.53446 15.20678 2.53446
|
||
|
|
185 2 -1.66750 1.26723 16.47401 1.26723
|
||
|
|
186 2 -1.66750 1.26723 16.47401 3.80169
|
||
|
|
187 2 -1.66750 1.26723 19.00847 1.26723
|
||
|
|
188 2 -1.66750 3.80169 16.47401 1.26723
|
||
|
|
189 2 -1.66750 3.80169 19.00847 3.80169
|
||
|
|
190 2 -1.66750 3.80169 16.47401 3.80169
|
||
|
|
191 2 -1.66750 3.80169 19.00847 1.26723
|
||
|
|
192 2 -1.66750 1.26723 19.00847 3.80169
|
||
|
|
193 1 3.33500 0.00000 15.20678 5.06893
|
||
|
|
194 1 3.33500 2.53446 17.74124 5.06893
|
||
|
|
195 1 3.33500 0.00000 17.74124 7.60339
|
||
|
|
196 1 3.33500 2.53446 15.20678 7.60339
|
||
|
|
197 2 -1.66750 1.26723 16.47401 6.33616
|
||
|
|
198 2 -1.66750 1.26723 16.47401 8.87062
|
||
|
|
199 2 -1.66750 1.26723 19.00847 6.33616
|
||
|
|
200 2 -1.66750 3.80169 16.47401 6.33616
|
||
|
|
201 2 -1.66750 3.80169 19.00847 8.87062
|
||
|
|
202 2 -1.66750 3.80169 16.47401 8.87062
|
||
|
|
203 2 -1.66750 3.80169 19.00847 6.33616
|
||
|
|
204 2 -1.66750 1.26723 19.00847 8.87062
|
||
|
|
205 1 3.33500 0.00000 15.20678 10.13785
|
||
|
|
206 1 3.33500 2.53446 17.74124 10.13785
|
||
|
|
207 1 3.33500 0.00000 17.74124 12.67232
|
||
|
|
208 1 3.33500 2.53446 15.20678 12.67232
|
||
|
|
209 2 -1.66750 1.26723 16.47401 11.40508
|
||
|
|
210 2 -1.66750 1.26723 16.47401 13.93955
|
||
|
|
211 2 -1.66750 1.26723 19.00847 11.40508
|
||
|
|
212 2 -1.66750 3.80169 16.47401 11.40508
|
||
|
|
213 2 -1.66750 3.80169 19.00847 13.93955
|
||
|
|
214 2 -1.66750 3.80169 16.47401 13.93955
|
||
|
|
215 2 -1.66750 3.80169 19.00847 11.40508
|
||
|
|
216 2 -1.66750 1.26723 19.00847 13.93955
|
||
|
|
217 1 3.33500 0.00000 15.20678 15.20678
|
||
|
|
218 1 3.33500 2.53446 17.74124 15.20678
|
||
|
|
219 1 3.33500 0.00000 17.74124 17.74124
|
||
|
|
220 1 3.33500 2.53446 15.20678 17.74124
|
||
|
|
221 2 -1.66750 1.26723 16.47401 16.47401
|
||
|
|
222 2 -1.66750 1.26723 16.47401 19.00847
|
||
|
|
223 2 -1.66750 1.26723 19.00847 16.47401
|
||
|
|
224 2 -1.66750 3.80169 16.47401 16.47401
|
||
|
|
225 2 -1.66750 3.80169 19.00847 19.00847
|
||
|
|
226 2 -1.66750 3.80169 16.47401 19.00847
|
||
|
|
227 2 -1.66750 3.80169 19.00847 16.47401
|
||
|
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228 2 -1.66750 1.26723 19.00847 19.00847
|
||
|
|
229 1 3.33500 0.00000 15.20678 20.27570
|
||
|
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230 1 3.33500 2.53446 17.74124 20.27570
|
||
|
|
231 1 3.33500 0.00000 17.74124 22.81017
|
||
|
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232 1 3.33500 2.53446 15.20678 22.81017
|
||
|
|
233 2 -1.66750 1.26723 16.47401 21.54294
|
||
|
|
234 2 -1.66750 1.26723 16.47401 24.07740
|
||
|
|
235 2 -1.66750 1.26723 19.00847 21.54294
|
||
|
|
236 2 -1.66750 3.80169 16.47401 21.54294
|
||
|
|
237 2 -1.66750 3.80169 19.00847 24.07740
|
||
|
|
238 2 -1.66750 3.80169 16.47401 24.07740
|
||
|
|
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1099 2 -1.66750 16.47401 19.00847 6.33616
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1100 2 -1.66750 19.00847 16.47401 6.33616
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1101 2 -1.66750 19.00847 19.00847 8.87062
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1103 2 -1.66750 19.00847 19.00847 6.33616
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1111 2 -1.66750 16.47401 19.00847 11.40508
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1120 1 3.33500 17.74124 15.20678 17.74124
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1122 2 -1.66750 16.47401 16.47401 19.00847
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1123 2 -1.66750 16.47401 19.00847 16.47401
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1124 2 -1.66750 19.00847 16.47401 16.47401
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1125 2 -1.66750 19.00847 19.00847 19.00847
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1126 2 -1.66750 19.00847 16.47401 19.00847
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1127 2 -1.66750 19.00847 19.00847 16.47401
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1128 2 -1.66750 16.47401 19.00847 19.00847
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1129 1 3.33500 15.20678 15.20678 20.27570
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1131 1 3.33500 15.20678 17.74124 22.81017
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1139 2 -1.66750 19.00847 19.00847 21.54294
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1141 1 3.33500 15.20678 20.27570 0.00000
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1142 1 3.33500 17.74124 22.81017 0.00000
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1143 1 3.33500 15.20678 22.81017 2.53446
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1150 2 -1.66750 19.00847 21.54294 3.80169
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1151 2 -1.66750 19.00847 24.07740 1.26723
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1163 2 -1.66750 19.00847 24.07740 6.33616
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1177 1 3.33500 15.20678 20.27570 15.20678
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1178 1 3.33500 17.74124 22.81017 15.20678
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1182 2 -1.66750 16.47401 21.54294 19.00847
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1184 2 -1.66750 19.00847 21.54294 16.47401
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1185 2 -1.66750 19.00847 24.07740 19.00847
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1186 2 -1.66750 19.00847 21.54294 19.00847
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1187 2 -1.66750 19.00847 24.07740 16.47401
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1189 1 3.33500 15.20678 20.27570 20.27570
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1190 1 3.33500 17.74124 22.81017 20.27570
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1194 2 -1.66750 16.47401 21.54294 24.07740
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1196 2 -1.66750 19.00847 21.54294 21.54294
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1198 2 -1.66750 19.00847 21.54294 24.07740
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1199 2 -1.66750 19.00847 24.07740 21.54294
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1200 2 -1.66750 16.47401 24.07740 24.07740
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1201 1 3.33500 20.27570 0.00000 0.00000
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1206 2 -1.66750 21.54294 1.26723 3.80169
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1209 2 -1.66750 24.07740 3.80169 3.80169
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1210 2 -1.66750 24.07740 1.26723 3.80169
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1211 2 -1.66750 24.07740 3.80169 1.26723
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1214 1 3.33500 22.81017 2.53446 5.06893
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1220 2 -1.66750 24.07740 1.26723 6.33616
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1221 2 -1.66750 24.07740 3.80169 8.87062
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1222 2 -1.66750 24.07740 1.26723 8.87062
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1223 2 -1.66750 24.07740 3.80169 6.33616
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1224 2 -1.66750 21.54294 3.80169 8.87062
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1458 2 -1.66750 21.54294 21.54294 8.87062
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1459 2 -1.66750 21.54294 24.07740 6.33616
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1461 2 -1.66750 24.07740 24.07740 8.87062
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1463 2 -1.66750 24.07740 24.07740 6.33616
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1465 1 3.33500 20.27570 20.27570 10.13785
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1466 1 3.33500 22.81017 22.81017 10.13785
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|
|
1467 1 3.33500 20.27570 22.81017 12.67232
|
||
|
|
1468 1 3.33500 22.81017 20.27570 12.67232
|
||
|
|
1469 2 -1.66750 21.54294 21.54294 11.40508
|
||
|
|
1470 2 -1.66750 21.54294 21.54294 13.93955
|
||
|
|
1471 2 -1.66750 21.54294 24.07740 11.40508
|
||
|
|
1472 2 -1.66750 24.07740 21.54294 11.40508
|
||
|
|
1473 2 -1.66750 24.07740 24.07740 13.93955
|
||
|
|
1474 2 -1.66750 24.07740 21.54294 13.93955
|
||
|
|
1475 2 -1.66750 24.07740 24.07740 11.40508
|
||
|
|
1476 2 -1.66750 21.54294 24.07740 13.93955
|
||
|
|
1477 1 3.33500 20.27570 20.27570 15.20678
|
||
|
|
1478 1 3.33500 22.81017 22.81017 15.20678
|
||
|
|
1479 1 3.33500 20.27570 22.81017 17.74124
|
||
|
|
1480 1 3.33500 22.81017 20.27570 17.74124
|
||
|
|
1481 2 -1.66750 21.54294 21.54294 16.47401
|
||
|
|
1482 2 -1.66750 21.54294 21.54294 19.00847
|
||
|
|
1483 2 -1.66750 21.54294 24.07740 16.47401
|
||
|
|
1484 2 -1.66750 24.07740 21.54294 16.47401
|
||
|
|
1485 2 -1.66750 24.07740 24.07740 19.00847
|
||
|
|
1486 2 -1.66750 24.07740 21.54294 19.00847
|
||
|
|
1487 2 -1.66750 24.07740 24.07740 16.47401
|
||
|
|
1488 2 -1.66750 21.54294 24.07740 19.00847
|
||
|
|
1489 1 3.33500 20.27570 20.27570 20.27570
|
||
|
|
1490 1 3.33500 22.81017 22.81017 20.27570
|
||
|
|
1491 1 3.33500 20.27570 22.81017 22.81017
|
||
|
|
1492 1 3.33500 22.81017 20.27570 22.81017
|
||
|
|
1493 2 -1.66750 21.54294 21.54294 21.54294
|
||
|
|
1494 2 -1.66750 21.54294 21.54294 24.07740
|
||
|
|
1495 2 -1.66750 21.54294 24.07740 21.54294
|
||
|
|
1496 2 -1.66750 24.07740 21.54294 21.54294
|
||
|
|
1497 2 -1.66750 24.07740 24.07740 24.07740
|
||
|
|
1498 2 -1.66750 24.07740 21.54294 24.07740
|
||
|
|
1499 2 -1.66750 24.07740 24.07740 21.54294
|
||
|
|
1500 2 -1.66750 21.54294 24.07740 24.07740
|