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lammps/examples/USER/manifold/vir/init.data
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LAMMPS data file with capsid model
288 atoms
4 atom types
216 bonds
3 bond types
144 angles
1 angle types
-8 8 xlo xhi
-8 8 ylo yhi
-8 8 zlo zhi
Masses
1 1.0
2 1.1.728
3 2.744
4 1.0
Pair Coeffs # lj/cut
1 1 1 1.1225
2 1 1.35 4
3 1 2.1 4
4 1 1 1.1225
PairIJ Coeffs # lj/cut
1 1 1 1 1.1225
1 2 1 1.175 1.31894
1 3 1 1.55 1.73988
1 4 1 1 1.1225
2 2 1 1.35 4
2 3 1 1.725 1.93631
2 4 1 1.175 1.31894
3 3 1 2.1 4
3 4 1 1.55 1.73988
4 4 1 1 1.1225
Bond Coeffs # harmonic
1 50 0.659469
2 50 0.855906
3 50 0.659469
Atoms
1 1 1 -0.701084 3.93343 0.19124
2 1 2 -0.816669 4.58193 0.222769
3 1 3 -0.966685 5.42359 0.263689
4 1 4 -1.08227 6.07209 0.295219
5 2 1 0.0618129 0.850751 3.90799
6 2 2 0.0720038 0.991012 4.55229
7 2 3 0.0852304 1.17305 5.38851
8 2 4 0.0954213 1.31331 6.03281
9 3 1 3.30064 -0.413296 -2.22148
10 3 2 3.8448 -0.481435 -2.58773
11 3 3 4.55106 -0.569871 -3.06307
12 3 4 5.09523 -0.638009 -3.42932
13 4 1 -1.59122 -1.3139 -3.42661
14 4 2 -1.85356 -1.53052 -3.99155
15 4 3 -2.19405 -1.81166 -4.72477
16 4 4 -2.45639 -2.02828 -5.2897
17 5 1 -3.9047 -0.80606 -0.32184
18 5 2 -4.54846 -0.938953 -0.374901
19 5 3 -5.38397 -1.11143 -0.443767
20 5 4 -6.02773 -1.24432 -0.496828
21 6 1 1.01166 3.7639 -0.899789
22 6 2 1.17845 4.38444 -1.04813
23 6 3 1.39492 5.18983 -1.24067
24 6 4 1.56171 5.81037 -1.38901
25 7 1 -1.05538 3.74967 -0.908937
26 7 2 -1.22938 4.36786 -1.05879
27 7 3 -1.45521 5.1702 -1.25328
28 7 4 -1.62921 5.7884 -1.40314
29 8 1 -1.51588 -2.46782 2.75898
30 8 2 -1.76579 -2.87469 3.21385
31 8 3 -2.09016 -3.40274 3.8042
32 8 4 -2.34007 -3.8096 4.25907
33 9 1 -2.25141 0.367776 3.28571
34 9 2 -2.62259 0.42841 3.82742
35 9 3 -3.10434 0.507105 4.53048
36 9 4 -3.47552 0.56774 5.07219
37 10 1 1.67684 1.52227 3.2971
38 10 2 1.9533 1.77324 3.84069
39 10 3 2.31211 2.09897 4.54619
40 10 4 2.58856 2.34994 5.08978
41 11 1 -3.25052 2.13047 -0.94615
42 11 2 -3.78643 2.48171 -1.10214
43 11 3 -4.48196 2.93758 -1.30459
44 11 4 -5.01787 3.28883 -1.46058
45 12 1 0.0676891 -0.567005 3.95903
46 12 2 0.0788488 -0.660486 4.61174
47 12 3 0.0933327 -0.781812 5.45888
48 12 4 0.104492 -0.875292 6.1116
49 13 1 1.59585 -1.27299 3.43988
50 13 2 1.85895 -1.48286 4.007
51 13 3 2.20043 -1.75525 4.74306
52 13 4 2.46353 -1.96512 5.31018
53 14 1 -1.40854 2.22169 -3.01332
54 14 2 -1.64076 2.58797 -3.51012
55 14 3 -1.94215 3.06336 -4.1549
56 14 4 -2.17438 3.42964 -4.6517
57 15 1 1.7153 -2.87555 -2.18838
58 15 2 1.99809 -3.34963 -2.54917
59 15 3 2.36513 -3.96493 -3.01743
60 15 4 2.64792 -4.43901 -3.37822
61 16 1 -2.22107 -2.07058 -2.60376
62 16 2 -2.58725 -2.41195 -3.03303
63 16 3 -3.06251 -2.85501 -3.59017
64 16 4 -3.42869 -3.19638 -4.01945
65 17 1 2.2192 1.29232 -3.06677
66 17 2 2.58507 1.50538 -3.57238
67 17 3 3.05993 1.7819 -4.2286
68 17 4 3.4258 1.99496 -4.73421
69 18 1 -2.03962 2.69954 -2.13364
70 18 2 -2.37588 3.14461 -2.48541
71 18 3 -2.81231 3.72225 -2.94196
72 18 4 -3.14858 4.16731 -3.29373
73 19 1 -3.49737 -0.254473 1.92449
74 19 2 -4.07397 -0.296428 2.24178
75 19 3 -4.82232 -0.350879 2.65357
76 19 4 -5.39892 -0.392833 2.97086
77 20 1 3.50808 -1.84615 0.533931
78 20 2 4.08645 -2.15052 0.621959
79 20 3 4.8371 -2.54555 0.736207
80 20 4 5.41547 -2.84992 0.824235
81 21 1 -0.325119 3.30809 2.22505
82 21 2 -0.378721 3.85349 2.59188
83 21 3 -0.448289 4.56134 3.06799
84 21 4 -0.50189 5.10674 3.43483
85 22 1 0.662812 0.0220505 -3.94464
86 22 2 0.772088 0.0256859 -4.59498
87 22 3 0.913914 0.0304042 -5.43904
88 22 4 1.02319 0.0340396 -6.08939
89 23 1 3.23422 -1.85295 -1.45135
90 23 2 3.76744 -2.15844 -1.69062
91 23 3 4.45949 -2.55492 -2.00118
92 23 4 4.9927 -2.86041 -2.24046
93 24 1 -3.96042 -0.0236549 0.560805
94 24 2 -4.61337 -0.0275549 0.653263
95 24 3 -5.4608 -0.0326165 0.773262
96 24 4 -6.11375 -0.0365164 0.865721
97 25 1 -0.68153 -3.49389 -1.82434
98 25 2 -0.793892 -4.06992 -2.12512
99 25 3 -0.939723 -4.81753 -2.51548
100 25 4 -1.05208 -5.39356 -2.81626
101 26 1 0.487017 3.94319 0.462684
102 26 2 0.56731 4.59329 0.538966
103 26 3 0.671521 5.43704 0.63797
104 26 4 0.751814 6.08714 0.714251
105 27 1 3.01581 -0.475516 2.58434
106 27 2 3.51301 -0.553913 3.01041
107 27 3 4.15833 -0.655663 3.5634
108 27 4 4.65553 -0.73406 3.98947
109 28 1 -0.782228 -0.526685 -3.88725
110 28 2 -0.911192 -0.613518 -4.52813
111 28 3 -1.07857 -0.726216 -5.35991
112 28 4 -1.20753 -0.813049 -6.00079
113 29 1 -2.59565 -0.97452 2.88321
114 29 2 -3.02359 -1.13519 3.35856
115 29 3 -3.579 -1.34371 3.97549
116 29 4 -4.00694 -1.50438 4.45084
117 30 1 1.7976 -0.409766 -3.54975
118 30 2 2.09396 -0.477322 -4.13499
119 30 3 2.4786 -0.565003 -4.89455
120 30 4 2.77497 -0.63256 -5.47979
121 31 1 1.32145 -3.66441 -0.908779
122 31 2 1.53931 -4.26855 -1.05861
123 31 3 1.82207 -5.05265 -1.25306
124 31 4 2.03993 -5.65679 -1.40289
125 32 1 0.541532 2.8122 2.79254
126 32 2 0.630813 3.27584 3.25294
127 32 3 0.746688 3.87758 3.85048
128 32 4 0.835969 4.34122 4.31088
129 33 1 0.85239 -2.98497 2.52257
130 33 2 0.992921 -3.4771 2.93846
131 33 3 1.17531 -4.11581 3.47823
132 33 4 1.31584 -4.60794 3.89412
133 34 1 2.3452 3.20727 0.46198
134 34 2 2.73185 3.73605 0.538145
135 34 3 3.23366 4.42233 0.636998
136 34 4 3.62031 4.9511 0.713164
137 35 1 -0.487077 -3.85764 0.938818
138 35 2 -0.56738 -4.49364 1.0936
139 35 3 -0.671604 -5.31908 1.29448
140 35 4 -0.751907 -5.95508 1.44926
141 36 1 2.5761 1.56047 2.63223
142 36 2 3.00081 1.81774 3.0662
143 36 3 3.55204 2.15164 3.62944
144 36 4 3.97675 2.40892 4.06341
145 37 1 1.1532 -1.61546 -3.47281
146 37 2 1.34333 -1.8818 -4.04536
147 37 3 1.59008 -2.22747 -4.78846
148 37 4 1.78021 -2.49381 -5.36101
149 38 1 3.80441 1.23346 -0.0709251
150 38 2 4.43164 1.43681 -0.0826184
151 38 3 5.24569 1.70074 -0.0977947
152 38 4 5.87291 1.9041 -0.109488
153 39 1 -0.831367 -1.75837 3.49528
154 39 2 -0.968432 -2.04827 4.07153
155 39 3 -1.14632 -2.42452 4.81944
156 39 4 -1.28339 -2.71442 5.39569
157 40 1 -3.35775 -2.00673 -0.835774
158 40 2 -3.91134 -2.33757 -0.973565
159 40 3 -4.62982 -2.76697 -1.1524
160 40 4 -5.1834 -3.09781 -1.29019
161 41 1 -2.20432 1.30999 -3.07
162 41 2 -2.56774 1.52596 -3.57614
163 41 3 -3.03942 1.80627 -4.23305
164 41 4 -3.40284 2.02224 -4.73919
165 42 1 1.09288 -3.66612 1.16842
166 42 2 1.27306 -4.27054 1.36105
167 42 3 1.50691 -5.055 1.61106
168 42 4 1.68709 -5.65943 1.8037
169 43 1 -3.07386 0.781288 2.43741
170 43 2 -3.58064 0.910097 2.83926
171 43 3 -4.23837 1.07727 3.36081
172 43 4 -4.74515 1.20608 3.76266
173 44 1 -3.15076 -2.10328 1.28411
174 44 2 -3.67021 -2.45004 1.49582
175 44 3 -4.3444 -2.90009 1.77059
176 44 4 -4.86386 -3.24686 1.9823
177 45 1 1.83257 3.15105 -1.64698
178 45 2 2.1347 3.67056 -1.91852
179 45 3 2.52683 4.34481 -2.27093
180 45 4 2.82896 4.86431 -2.54247
181 46 1 3.03229 2.44072 0.920939
182 46 2 3.53221 2.84312 1.07277
183 46 3 4.18105 3.36537 1.26983
184 46 4 4.68097 3.76777 1.42166
185 47 1 -0.685148 -2.46174 -3.0774
186 47 2 -0.798106 -2.8676 -3.58476
187 47 3 -0.944712 -3.39436 -4.24326
188 47 4 -1.05767 -3.80022 -4.75062
189 48 1 1.86019 2.48267 2.52509
190 48 2 2.16687 2.89198 2.94139
191 48 3 2.5649 3.42321 3.4817
192 48 4 2.87159 3.83252 3.898
193 49 1 3.92074 -0.28145 -0.740678
194 49 2 4.56714 -0.327852 -0.862792
195 49 3 5.40608 -0.388076 -1.02128
196 49 4 6.05249 -0.434478 -1.14339
197 50 1 -2.4331 -3.17132 -0.150833
198 50 2 -2.83424 -3.69417 -0.1757
199 50 3 -3.35486 -4.37276 -0.207975
200 50 4 -3.756 -4.8956 -0.232842
201 51 1 -2.9946 1.69085 -2.04289
202 51 2 -3.48831 1.96961 -2.3797
203 51 3 -4.12908 2.33142 -2.81683
204 51 4 -4.62279 2.61018 -3.15364
205 52 1 0.954769 3.56359 1.54571
206 52 2 1.11218 4.15111 1.80055
207 52 3 1.31648 4.91364 2.13129
208 52 4 1.47389 5.50116 2.38613
209 53 1 -0.000383688 3.35883 -2.17216
210 53 2 -0.000446945 3.91259 -2.53028
211 53 3 -0.000529046 4.6313 -2.99507
212 53 4 -0.000592303 5.18506 -3.35318
213 54 1 -1.13409 2.01537 3.26376
214 54 2 -1.32106 2.34763 3.80185
215 54 3 -1.56373 2.77887 4.50022
216 54 4 -1.7507 3.11114 5.03831
217 55 1 -0.18323 1.16707 -3.82157
218 55 2 -0.213438 1.35949 -4.45162
219 55 3 -0.252645 1.60921 -5.26934
220 55 4 -0.282854 1.80162 -5.89939
221 56 1 -3.16152 -1.58871 -1.86569
222 56 2 -3.68275 -1.85063 -2.17328
223 56 3 -4.35924 -2.19058 -2.57249
224 56 4 -4.88048 -2.4525 -2.88008
225 57 1 0.32697 -3.16727 -2.42105
226 57 2 0.380876 -3.68945 -2.82021
227 57 3 0.45084 -4.36717 -3.33825
228 57 4 0.504746 -4.88935 -3.73741
229 58 1 -2.57648 2.36979 1.93542
230 58 2 -3.00126 2.76049 2.25451
231 58 3 -3.55256 3.26756 2.66865
232 58 4 -3.97734 3.65826 2.98773
233 59 1 -1.84228 -3.2137 1.50934
234 59 2 -2.14601 -3.74354 1.75819
235 59 3 -2.54021 -4.4312 2.08115
236 59 4 -2.84394 -4.96103 2.32999
237 60 1 2.06726 -2.51456 2.32453
238 60 2 2.40808 -2.92913 2.70777
239 60 3 2.85043 -3.46718 3.20516
240 60 4 3.19125 -3.88175 3.5884
241 61 1 3.30924 -1.38831 1.76679
242 61 2 3.85482 -1.6172 2.05807
243 61 3 4.56292 -1.91427 2.43612
244 61 4 5.10851 -2.14315 2.72741
245 62 1 0.0662913 -3.53779 1.86538
246 62 2 0.0772206 -4.12106 2.17292
247 62 3 0.0914054 -4.87806 2.57206
248 62 4 0.102335 -5.46133 2.8796
249 63 1 -0.984186 3.66087 1.27648
250 63 2 -1.14645 4.26443 1.48693
251 63 3 -1.35704 5.04777 1.76007
252 63 4 -1.5193 5.65133 1.97052
253 64 1 -2.57041 2.98875 -0.678513
254 64 2 -2.99419 3.48149 -0.790377
255 64 3 -3.54419 4.12102 -0.935563
256 64 4 -3.96797 4.61376 -1.04743
257 65 1 -0.127433 -3.91751 -0.798032
258 65 2 -0.148443 -4.56338 -0.929602
259 65 3 -0.175711 -5.40164 -1.10036
260 65 4 -0.19672 -6.04751 -1.23193
261 66 1 -3.68506 0.947699 1.23377
262 66 2 -4.29261 1.10394 1.43718
263 66 3 -5.08112 1.30673 1.70118
264 66 4 -5.68867 1.46297 1.90459
265 67 1 -2.16602 -2.87045 -1.75181
266 67 2 -2.52313 -3.3437 -2.04062
267 67 3 -2.98661 -3.95791 -2.41547
268 67 4 -3.34371 -4.43115 -2.70429
269 68 1 -0.969111 0.140347 3.87829
270 68 2 -1.12889 0.163486 4.51769
271 68 3 -1.33625 0.193517 5.34755
272 68 4 -1.49603 0.216656 5.98696
273 69 1 3.55906 0.798001 -1.64203
274 69 2 4.14584 0.929565 -1.91275
275 69 3 4.90739 1.10032 -2.2641
276 69 4 5.49417 1.23188 -2.53482
277 70 1 -3.40994 -0.202713 -2.08115
278 70 2 -3.97213 -0.236134 -2.42427
279 70 3 -4.70178 -0.279509 -2.86958
280 70 4 -5.26397 -0.31293 -3.2127
281 71 1 2.62812 -1.82176 -2.40295
282 71 2 3.06141 -2.12211 -2.79912
283 71 3 3.62377 -2.51192 -3.31329
284 71 4 4.05706 -2.81227 -3.70946
285 72 1 -3.82746 0.847616 -0.795064
286 72 2 -4.45848 0.98736 -0.926144
287 72 3 -5.27746 1.16873 -1.09627
288 72 4 -5.90849 1.30847 -1.22735
Bonds
1 1 1 2
2 2 2 3
3 3 3 4
4 1 5 6
5 2 6 7
6 3 7 8
7 1 9 10
8 2 10 11
9 3 11 12
10 1 13 14
11 2 14 15
12 3 15 16
13 1 17 18
14 2 18 19
15 3 19 20
16 1 21 22
17 2 22 23
18 3 23 24
19 1 25 26
20 2 26 27
21 3 27 28
22 1 29 30
23 2 30 31
24 3 31 32
25 1 33 34
26 2 34 35
27 3 35 36
28 1 37 38
29 2 38 39
30 3 39 40
31 1 41 42
32 2 42 43
33 3 43 44
34 1 45 46
35 2 46 47
36 3 47 48
37 1 49 50
38 2 50 51
39 3 51 52
40 1 53 54
41 2 54 55
42 3 55 56
43 1 57 58
44 2 58 59
45 3 59 60
46 1 61 62
47 2 62 63
48 3 63 64
49 1 65 66
50 2 66 67
51 3 67 68
52 1 69 70
53 2 70 71
54 3 71 72
55 1 73 74
56 2 74 75
57 3 75 76
58 1 77 78
59 2 78 79
60 3 79 80
61 1 81 82
62 2 82 83
63 3 83 84
64 1 85 86
65 2 86 87
66 3 87 88
67 1 89 90
68 2 90 91
69 3 91 92
70 1 93 94
71 2 94 95
72 3 95 96
73 1 97 98
74 2 98 99
75 3 99 100
76 1 101 102
77 2 102 103
78 3 103 104
79 1 105 106
80 2 106 107
81 3 107 108
82 1 109 110
83 2 110 111
84 3 111 112
85 1 113 114
86 2 114 115
87 3 115 116
88 1 117 118
89 2 118 119
90 3 119 120
91 1 121 122
92 2 122 123
93 3 123 124
94 1 125 126
95 2 126 127
96 3 127 128
97 1 129 130
98 2 130 131
99 3 131 132
100 1 133 134
101 2 134 135
102 3 135 136
103 1 137 138
104 2 138 139
105 3 139 140
106 1 141 142
107 2 142 143
108 3 143 144
109 1 145 146
110 2 146 147
111 3 147 148
112 1 149 150
113 2 150 151
114 3 151 152
115 1 153 154
116 2 154 155
117 3 155 156
118 1 157 158
119 2 158 159
120 3 159 160
121 1 161 162
122 2 162 163
123 3 163 164
124 1 165 166
125 2 166 167
126 3 167 168
127 1 169 170
128 2 170 171
129 3 171 172
130 1 173 174
131 2 174 175
132 3 175 176
133 1 177 178
134 2 178 179
135 3 179 180
136 1 181 182
137 2 182 183
138 3 183 184
139 1 185 186
140 2 186 187
141 3 187 188
142 1 189 190
143 2 190 191
144 3 191 192
145 1 193 194
146 2 194 195
147 3 195 196
148 1 197 198
149 2 198 199
150 3 199 200
151 1 201 202
152 2 202 203
153 3 203 204
154 1 205 206
155 2 206 207
156 3 207 208
157 1 209 210
158 2 210 211
159 3 211 212
160 1 213 214
161 2 214 215
162 3 215 216
163 1 217 218
164 2 218 219
165 3 219 220
166 1 221 222
167 2 222 223
168 3 223 224
169 1 225 226
170 2 226 227
171 3 227 228
172 1 229 230
173 2 230 231
174 3 231 232
175 1 233 234
176 2 234 235
177 3 235 236
178 1 237 238
179 2 238 239
180 3 239 240
181 1 241 242
182 2 242 243
183 3 243 244
184 1 245 246
185 2 246 247
186 3 247 248
187 1 249 250
188 2 250 251
189 3 251 252
190 1 253 254
191 2 254 255
192 3 255 256
193 1 257 258
194 2 258 259
195 3 259 260
196 1 261 262
197 2 262 263
198 3 263 264
199 1 265 266
200 2 266 267
201 3 267 268
202 1 269 270
203 2 270 271
204 3 271 272
205 1 273 274
206 2 274 275
207 3 275 276
208 1 277 278
209 2 278 279
210 3 279 280
211 1 281 282
212 2 282 283
213 3 283 284
214 1 285 286
215 2 286 287
216 3 287 288
Angles
1 1 1 2 3
2 1 2 3 4
3 1 5 6 7
4 1 6 7 8
5 1 9 10 11
6 1 10 11 12
7 1 13 14 15
8 1 14 15 16
9 1 17 18 19
10 1 18 19 20
11 1 21 22 23
12 1 22 23 24
13 1 25 26 27
14 1 26 27 28
15 1 29 30 31
16 1 30 31 32
17 1 33 34 35
18 1 34 35 36
19 1 37 38 39
20 1 38 39 40
21 1 41 42 43
22 1 42 43 44
23 1 45 46 47
24 1 46 47 48
25 1 49 50 51
26 1 50 51 52
27 1 53 54 55
28 1 54 55 56
29 1 57 58 59
30 1 58 59 60
31 1 61 62 63
32 1 62 63 64
33 1 65 66 67
34 1 66 67 68
35 1 69 70 71
36 1 70 71 72
37 1 73 74 75
38 1 74 75 76
39 1 77 78 79
40 1 78 79 80
41 1 81 82 83
42 1 82 83 84
43 1 85 86 87
44 1 86 87 88
45 1 89 90 91
46 1 90 91 92
47 1 93 94 95
48 1 94 95 96
49 1 97 98 99
50 1 98 99 100
51 1 101 102 103
52 1 102 103 104
53 1 105 106 107
54 1 106 107 108
55 1 109 110 111
56 1 110 111 112
57 1 113 114 115
58 1 114 115 116
59 1 117 118 119
60 1 118 119 120
61 1 121 122 123
62 1 122 123 124
63 1 125 126 127
64 1 126 127 128
65 1 129 130 131
66 1 130 131 132
67 1 133 134 135
68 1 134 135 136
69 1 137 138 139
70 1 138 139 140
71 1 141 142 143
72 1 142 143 144
73 1 145 146 147
74 1 146 147 148
75 1 149 150 151
76 1 150 151 152
77 1 153 154 155
78 1 154 155 156
79 1 157 158 159
80 1 158 159 160
81 1 161 162 163
82 1 162 163 164
83 1 165 166 167
84 1 166 167 168
85 1 169 170 171
86 1 170 171 172
87 1 173 174 175
88 1 174 175 176
89 1 177 178 179
90 1 178 179 180
91 1 181 182 183
92 1 182 183 184
93 1 185 186 187
94 1 186 187 188
95 1 189 190 191
96 1 190 191 192
97 1 193 194 195
98 1 194 195 196
99 1 197 198 199
100 1 198 199 200
101 1 201 202 203
102 1 202 203 204
103 1 205 206 207
104 1 206 207 208
105 1 209 210 211
106 1 210 211 212
107 1 213 214 215
108 1 214 215 216
109 1 217 218 219
110 1 218 219 220
111 1 221 222 223
112 1 222 223 224
113 1 225 226 227
114 1 226 227 228
115 1 229 230 231
116 1 230 231 232
117 1 233 234 235
118 1 234 235 236
119 1 237 238 239
120 1 238 239 240
121 1 241 242 243
122 1 242 243 244
123 1 245 246 247
124 1 246 247 248
125 1 249 250 251
126 1 250 251 252
127 1 253 254 255
128 1 254 255 256
129 1 257 258 259
130 1 258 259 260
131 1 261 262 263
132 1 262 263 264
133 1 265 266 267
134 1 266 267 268
135 1 269 270 271
136 1 270 271 272
137 1 273 274 275
138 1 274 275 276
139 1 277 278 279
140 1 278 279 280
141 1 281 282 283
142 1 282 283 284
143 1 285 286 287
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