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lammps/examples/USER/gle/data.tip4pf
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LAMMPS Description
192 atoms
128 bonds
64 angles
2 atom types
1 bond types
1 angle types
0 12.4244 xlo xhi
0 12.4244 ylo yhi
0 12.4244 zlo zhi
Masses
1 15.9994
2 1.0080
Atoms
1 1 1 -1.1128 2.7475 12.8896 2.6639
2 1 2 0.5564 3.1049 12.7379 1.8224
3 1 2 0.5564 1.7943 13.1205 2.5592
4 2 1 -1.1128 -0.7565 -1.1504 -1.5704
5 2 2 0.5564 -1.0109 -0.3411 -2.0812
6 2 2 0.5564 -0.7469 -1.7213 -2.2771
7 3 1 -1.1128 5.7663 -0.4112 0.4047
8 3 2 0.5564 6.4944 -0.7495 -0.3433
9 3 2 0.5564 4.9901 -0.2595 -0.2404
10 4 1 -1.1128 12.5178 13.4586 2.5833
11 4 2 0.5564 11.9595 12.7227 2.5625
12 4 2 0.5564 12.3870 13.9685 1.6020
13 5 1 -1.1128 11.5658 1.2126 -3.4671
14 5 2 0.5564 10.7292 1.5210 -4.0420
15 5 2 0.5564 12.2784 0.9456 -4.0624
16 6 1 -1.1128 14.6971 6.1882 -7.7474
17 6 2 0.5564 14.4784 5.3902 -7.2900
18 6 2 0.5564 15.2258 6.8450 -7.3017
19 7 1 -1.1128 -2.6192 10.3928 -0.0001
20 7 2 0.5564 -1.8647 10.9848 -0.5571
21 7 2 0.5564 -2.7265 9.2890 -0.0662
22 8 1 -1.1128 6.6045 2.0284 0.6044
23 8 2 0.5564 6.3655 1.0240 0.4799
24 8 2 0.5564 5.7494 2.3953 0.7463
25 9 1 -1.1128 8.8742 8.0839 4.6354
26 9 2 0.5564 9.7892 8.3767 4.4027
27 9 2 0.5564 8.3460 8.0813 3.8293
28 10 1 -1.1128 5.8097 5.6849 -0.7085
29 10 2 0.5564 5.9595 5.0452 -1.5572
30 10 2 0.5564 5.2079 6.4617 -0.9303
31 11 1 -1.1128 7.6988 2.7233 2.9973
32 11 2 0.5564 6.8675 3.0722 3.5888
33 11 2 0.5564 7.3299 2.4174 1.9170
34 12 1 -1.1128 11.0654 4.5876 3.5549
35 12 2 0.5564 10.3773 4.6342 2.8632
36 12 2 0.5564 10.4763 5.2035 4.2540
37 13 1 -1.1128 2.2356 2.9662 -0.3426
38 13 2 0.5564 2.8229 2.0247 -0.6116
39 13 2 0.5564 2.9868 3.0933 0.5014
40 14 1 -1.1128 0.6871 7.8853 -4.4203
41 14 2 0.5564 0.9105 7.8501 -3.3605
42 14 2 0.5564 0.0012 8.5407 -4.3902
43 15 1 -1.1128 6.1128 -0.4547 -7.5510
44 15 2 0.5564 6.0424 -0.9370 -6.6619
45 15 2 0.5564 6.9367 -0.2264 -7.6923
46 16 1 -1.1128 0.0269 7.9881 0.2323
47 16 2 0.5564 0.1935 7.5172 1.0657
48 16 2 0.5564 -1.0149 7.8781 0.1064
49 17 1 -1.1128 9.0979 4.4375 1.6117
50 17 2 0.5564 8.4785 3.5461 2.0370
51 17 2 0.5564 8.4603 5.1558 1.1598
52 18 1 -1.1128 8.0205 9.5154 -5.6604
53 18 2 0.5564 7.0891 9.9739 -5.8289
54 18 2 0.5564 8.2865 9.0556 -6.5545
55 19 1 -1.1128 7.1473 7.4240 -4.1023
56 19 2 0.5564 6.3979 6.9506 -4.4627
57 19 2 0.5564 7.1474 8.2756 -4.5903
58 20 1 -1.1128 4.2167 1.7495 -7.8409
59 20 2 0.5564 5.0855 1.2633 -7.6234
60 20 2 0.5564 3.7241 1.1296 -8.5781
61 21 1 -1.1128 5.4446 3.8853 -8.9068
62 21 2 0.5564 5.1557 4.7500 -8.6367
63 21 2 0.5564 4.8182 3.2069 -8.3794
64 22 1 -1.1128 6.0386 9.3204 -2.4511
65 22 2 0.5564 6.4152 8.5164 -2.8341
66 22 2 0.5564 6.7845 9.8389 -1.9444
67 23 1 -1.1128 0.1381 2.6793 4.5680
68 23 2 0.5564 -0.2809 3.4724 3.9858
69 23 2 0.5564 0.2112 2.0940 3.8931
70 24 1 -1.1128 11.3965 -3.5321 3.9345
71 24 2 0.5564 11.7433 -3.3427 4.8119
72 24 2 0.5564 11.9756 -4.4481 3.3455
73 25 1 -1.1128 5.1961 -2.3263 -5.0160
74 25 2 0.5564 5.5845 -2.6326 -3.9068
75 25 2 0.5564 4.9080 -1.3876 -5.0752
76 26 1 -1.1128 1.9884 4.6024 -2.2437
77 26 2 0.5564 1.1159 4.2702 -2.6316
78 26 2 0.5564 2.1782 3.8946 -1.7102
79 27 1 -1.1128 3.4286 -3.8254 2.9948
80 27 2 0.5564 4.1401 -3.1922 2.7029
81 27 2 0.5564 2.6837 -3.3946 2.5442
82 28 1 -1.1128 3.4972 4.0312 -4.2534
83 28 2 0.5564 3.2969 3.6780 -5.1881
84 28 2 0.5564 2.8283 3.9277 -3.5286
85 29 1 -1.1128 2.5581 3.6391 -6.8719
86 29 2 0.5564 3.0211 2.9680 -7.2340
87 29 2 0.5564 1.6628 3.1519 -7.0428
88 30 1 -1.1128 5.1229 6.3022 -5.5820
89 30 2 0.5564 4.4630 7.1815 -5.7854
90 30 2 0.5564 4.3184 5.7177 -5.1800
91 31 1 -1.1128 7.5284 -1.4968 -1.3872
92 31 2 0.5564 7.6646 -0.7307 -2.1238
93 31 2 0.5564 8.3855 -1.4659 -1.0203
94 32 1 -1.1128 8.0180 3.6712 -5.5542
95 32 2 0.5564 8.2173 4.4555 -6.0837
96 32 2 0.5564 8.6346 3.0360 -5.6917
97 33 1 -1.1128 16.0706 -0.2590 -5.0003
98 33 2 0.5564 16.0528 -0.2534 -5.8842
99 33 2 0.5564 15.1342 -0.1953 -4.7488
100 34 1 -1.1128 8.7867 0.2163 4.2394
101 34 2 0.5564 8.4837 1.0587 3.5818
102 34 2 0.5564 9.5314 -0.1659 3.6191
103 35 1 -1.1128 3.2350 8.1868 -5.7667
104 35 2 0.5564 2.4833 8.4024 -5.2868
105 35 2 0.5564 3.9304 8.8555 -5.5968
106 36 1 -1.1128 9.4233 5.7040 5.6841
107 36 2 0.5564 10.0973 5.7599 6.4736
108 36 2 0.5564 8.9638 6.5622 5.3889
109 37 1 -1.1128 5.4246 -2.0137 2.6572
110 37 2 0.5564 5.8998 -1.6969 3.5099
111 37 2 0.5564 5.5652 -1.5574 1.8565
112 38 1 -1.1128 -0.1317 1.9336 0.3190
113 38 2 0.5564 0.7894 2.2269 -0.1673
114 38 2 0.5564 -0.9403 2.4988 0.0245
115 39 1 -1.1128 11.8227 3.8276 -2.8190
116 39 2 0.5564 11.9045 2.9412 -3.1683
117 39 2 0.5564 11.4467 3.8091 -2.0650
118 40 1 -1.1128 -1.2368 9.7290 -3.9382
119 40 2 0.5564 -1.9257 9.0012 -3.6423
120 40 2 0.5564 -1.6406 10.5300 -4.3785
121 41 1 -1.1128 10.0754 7.7161 -0.3734
122 41 2 0.5564 10.0574 7.7060 -1.5087
123 41 2 0.5564 9.2537 7.2615 -0.1815
124 42 1 -1.1128 -1.0123 6.0538 -4.7618
125 42 2 0.5564 -0.8778 5.3177 -4.1260
126 42 2 0.5564 -0.2149 6.6635 -4.6539
127 43 1 -1.1128 -1.7545 11.2259 2.6532
128 43 2 0.5564 -1.2454 10.3615 3.0272
129 43 2 0.5564 -2.3173 10.8721 1.8706
130 44 1 -1.1128 12.4899 11.0304 5.7156
131 44 2 0.5564 11.9240 11.7099 5.4868
132 44 2 0.5564 13.3664 11.1913 5.4911
133 45 1 -1.1128 9.6108 7.3259 -3.0932
134 45 2 0.5564 8.6400 7.3761 -3.4426
135 45 2 0.5564 10.1122 6.7757 -3.8567
136 46 1 -1.1128 2.6948 11.0492 4.8330
137 46 2 0.5564 2.7024 11.5790 4.0320
138 46 2 0.5564 3.0263 9.9915 4.5693
139 47 1 -1.1128 2.3981 10.4891 -1.9366
140 47 2 0.5564 3.2686 9.9508 -1.8156
141 47 2 0.5564 2.0376 10.5907 -0.9310
142 48 1 -1.1128 0.9756 10.6255 0.5327
143 48 2 0.5564 0.1537 11.3288 0.6051
144 48 2 0.5564 0.5959 9.7905 0.6015
145 49 1 -1.1128 6.8518 4.4218 -2.9838
146 49 2 0.5564 7.5360 4.5692 -4.0439
147 49 2 0.5564 6.2902 3.8048 -3.2906
148 50 1 -1.1128 5.2164 6.6410 4.0581
149 50 2 0.5564 5.2488 6.3928 4.9660
150 50 2 0.5564 4.2955 7.0350 3.8882
151 51 1 -1.1128 0.3549 6.8498 2.9794
152 51 2 0.5564 1.0995 6.6230 3.4814
153 51 2 0.5564 -0.3406 6.0721 3.1076
154 52 1 -1.1128 8.2297 2.5219 -1.4475
155 52 2 0.5564 7.9524 3.3343 -1.9877
156 52 2 0.5564 7.7019 2.4769 -0.5961
157 53 1 -1.1128 7.8245 6.7224 0.7167
158 53 2 0.5564 7.2205 6.3967 0.2032
159 53 2 0.5564 7.5432 7.1690 1.5959
160 54 1 -1.1128 10.4529 3.5595 -0.4618
161 54 2 0.5564 9.6554 3.0113 -1.0854
162 54 2 0.5564 9.9860 3.8155 0.4575
163 55 1 -1.1128 1.6091 7.3889 -1.9372
164 55 2 0.5564 0.8772 7.6442 -1.3852
165 55 2 0.5564 1.6148 6.3199 -2.0961
166 56 1 -1.1128 4.5847 3.7052 0.8854
167 56 2 0.5564 4.9276 4.3327 0.4075
168 56 2 0.5564 4.7321 3.6932 1.9221
169 57 1 -1.1128 7.7489 0.5850 -3.1580
170 57 2 0.5564 8.1265 1.3116 -2.5648
171 57 2 0.5564 6.8161 0.9453 -3.2322
172 58 1 -1.1128 1.0484 11.8440 -4.0472
173 58 2 0.5564 0.7280 11.1323 -4.6797
174 58 2 0.5564 1.1330 11.2806 -3.2996
175 59 1 -1.1128 4.8434 1.5791 -3.4338
176 59 2 0.5564 4.6193 2.5111 -3.8020
177 59 2 0.5564 4.5590 0.9918 -4.2585
178 60 1 -1.1128 9.5745 -0.8244 7.3550
179 60 2 0.5564 9.1589 -1.6054 6.9407
180 60 2 0.5564 8.9480 -0.4525 7.9368
181 61 1 -1.1128 10.2730 1.8899 6.5393
182 61 2 0.5564 10.8570 2.0184 5.8089
183 61 2 0.5564 9.9510 0.9418 6.2056
184 62 1 -1.1128 4.0753 7.8192 -0.7739
185 62 2 0.5564 4.6355 8.0586 -1.5322
186 62 2 0.5564 3.2914 7.7124 -1.2255
187 63 1 -1.1128 3.7702 0.4562 -1.1286
188 63 2 0.5564 3.4391 -0.4159 -1.3938
189 63 2 0.5564 4.1240 0.8020 -1.9818
190 64 1 -1.1128 6.9868 8.1387 2.7851
191 64 2 0.5564 6.2262 7.6175 3.5031
192 64 2 0.5564 6.8162 9.0302 2.5521
Bonds
1 1 1 2
2 1 1 3
3 1 4 5
4 1 4 6
5 1 7 8
6 1 7 9
7 1 10 11
8 1 10 12
9 1 13 14
10 1 13 15
11 1 16 17
12 1 16 18
13 1 19 20
14 1 19 21
15 1 22 23
16 1 22 24
17 1 25 26
18 1 25 27
19 1 28 29
20 1 28 30
21 1 31 32
22 1 31 33
23 1 34 35
24 1 34 36
25 1 37 38
26 1 37 39
27 1 40 41
28 1 40 42
29 1 43 44
30 1 43 45
31 1 46 47
32 1 46 48
33 1 49 50
34 1 49 51
35 1 52 53
36 1 52 54
37 1 55 56
38 1 55 57
39 1 58 59
40 1 58 60
41 1 61 62
42 1 61 63
43 1 64 65
44 1 64 66
45 1 67 68
46 1 67 69
47 1 70 71
48 1 70 72
49 1 73 74
50 1 73 75
51 1 76 77
52 1 76 78
53 1 79 80
54 1 79 81
55 1 82 83
56 1 82 84
57 1 85 86
58 1 85 87
59 1 88 89
60 1 88 90
61 1 91 92
62 1 91 93
63 1 94 95
64 1 94 96
65 1 97 98
66 1 97 99
67 1 100 101
68 1 100 102
69 1 103 104
70 1 103 105
71 1 106 107
72 1 106 108
73 1 109 110
74 1 109 111
75 1 112 113
76 1 112 114
77 1 115 116
78 1 115 117
79 1 118 119
80 1 118 120
81 1 121 122
82 1 121 123
83 1 124 125
84 1 124 126
85 1 127 128
86 1 127 129
87 1 130 131
88 1 130 132
89 1 133 134
90 1 133 135
91 1 136 137
92 1 136 138
93 1 139 140
94 1 139 141
95 1 142 143
96 1 142 144
97 1 145 146
98 1 145 147
99 1 148 149
100 1 148 150
101 1 151 152
102 1 151 153
103 1 154 155
104 1 154 156
105 1 157 158
106 1 157 159
107 1 160 161
108 1 160 162
109 1 163 164
110 1 163 165
111 1 166 167
112 1 166 168
113 1 169 170
114 1 169 171
115 1 172 173
116 1 172 174
117 1 175 176
118 1 175 177
119 1 178 179
120 1 178 180
121 1 181 182
122 1 181 183
123 1 184 185
124 1 184 186
125 1 187 188
126 1 187 189
127 1 190 191
128 1 190 192
Angles
1 1 2 1 3
2 1 5 4 6
3 1 8 7 9
4 1 11 10 12
5 1 14 13 15
6 1 17 16 18
7 1 20 19 21
8 1 23 22 24
9 1 26 25 27
10 1 29 28 30
11 1 32 31 33
12 1 35 34 36
13 1 38 37 39
14 1 41 40 42
15 1 44 43 45
16 1 47 46 48
17 1 50 49 51
18 1 53 52 54
19 1 56 55 57
20 1 59 58 60
21 1 62 61 63
22 1 65 64 66
23 1 68 67 69
24 1 71 70 72
25 1 74 73 75
26 1 77 76 78
27 1 80 79 81
28 1 83 82 84
29 1 86 85 87
30 1 89 88 90
31 1 92 91 93
32 1 95 94 96
33 1 98 97 99
34 1 101 100 102
35 1 104 103 105
36 1 107 106 108
37 1 110 109 111
38 1 113 112 114
39 1 116 115 117
40 1 119 118 120
41 1 122 121 123
42 1 125 124 126
43 1 128 127 129
44 1 131 130 132
45 1 134 133 135
46 1 137 136 138
47 1 140 139 141
48 1 143 142 144
49 1 146 145 147
50 1 149 148 150
51 1 152 151 153
52 1 155 154 156
53 1 158 157 159
54 1 161 160 162
55 1 164 163 165
56 1 167 166 168
57 1 170 169 171
58 1 173 172 174
59 1 176 175 177
60 1 179 178 180
61 1 182 181 183
62 1 185 184 186
63 1 188 187 189
64 1 191 190 192
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