lammps/examples/coreshell/data.coreshell

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NaCl_8_molten_333.data (written by ASE) + shell Na x=0.5 (1u3) Volume Expanded
432 atoms
216 bonds
0 angles
0 dihedrals
4 atom types
2 bond types
0 angle types
0 dihedral types
0.0 24.09597 xlo xhi
0.0 24.09597 ylo yhi
0.0 24.09597 zlo zhi
Masses
1 20.690784
2 31.90500
3 2.298976
4 3.54500
Atoms
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Bonds
1 2 1 2
2 2 3 4
3 2 5 6
4 2 7 8
5 1 9 10
6 1 11 12
7 1 13 14
8 1 15 16
9 2 17 18
10 2 19 20
11 2 21 22
12 2 23 24
13 1 25 26
14 1 27 28
15 1 29 30
16 1 31 32
17 2 33 34
18 2 35 36
19 2 37 38
20 2 39 40
21 1 41 42
22 1 43 44
23 1 45 46
24 1 47 48
25 2 49 50
26 2 51 52
27 2 53 54
28 2 55 56
29 1 57 58
30 1 59 60
31 1 61 62
32 1 63 64
33 2 65 66
34 2 67 68
35 2 69 70
36 2 71 72
37 1 73 74
38 1 75 76
39 1 77 78
40 1 79 80
41 2 81 82
42 2 83 84
43 2 85 86
44 2 87 88
45 1 89 90
46 1 91 92
47 1 93 94
48 1 95 96
49 2 97 98
50 2 99 100
51 2 101 102
52 2 103 104
53 1 105 106
54 1 107 108
55 1 109 110
56 1 111 112
57 2 113 114
58 2 115 116
59 2 117 118
60 2 119 120
61 1 121 122
62 1 123 124
63 1 125 126
64 1 127 128
65 2 129 130
66 2 131 132
67 2 133 134
68 2 135 136
69 1 137 138
70 1 139 140
71 1 141 142
72 1 143 144
73 2 145 146
74 2 147 148
75 2 149 150
76 2 151 152
77 1 153 154
78 1 155 156
79 1 157 158
80 1 159 160
81 2 161 162
82 2 163 164
83 2 165 166
84 2 167 168
85 1 169 170
86 1 171 172
87 1 173 174
88 1 175 176
89 2 177 178
90 2 179 180
91 2 181 182
92 2 183 184
93 1 185 186
94 1 187 188
95 1 189 190
96 1 191 192
97 2 193 194
98 2 195 196
99 2 197 198
100 2 199 200
101 1 201 202
102 1 203 204
103 1 205 206
104 1 207 208
105 2 209 210
106 2 211 212
107 2 213 214
108 2 215 216
109 1 217 218
110 1 219 220
111 1 221 222
112 1 223 224
113 2 225 226
114 2 227 228
115 2 229 230
116 2 231 232
117 1 233 234
118 1 235 236
119 1 237 238
120 1 239 240
121 2 241 242
122 2 243 244
123 2 245 246
124 2 247 248
125 1 249 250
126 1 251 252
127 1 253 254
128 1 255 256
129 2 257 258
130 2 259 260
131 2 261 262
132 2 263 264
133 1 265 266
134 1 267 268
135 1 269 270
136 1 271 272
137 2 273 274
138 2 275 276
139 2 277 278
140 2 279 280
141 1 281 282
142 1 283 284
143 1 285 286
144 1 287 288
145 2 289 290
146 2 291 292
147 2 293 294
148 2 295 296
149 1 297 298
150 1 299 300
151 1 301 302
152 1 303 304
153 2 305 306
154 2 307 308
155 2 309 310
156 2 311 312
157 1 313 314
158 1 315 316
159 1 317 318
160 1 319 320
161 2 321 322
162 2 323 324
163 2 325 326
164 2 327 328
165 1 329 330
166 1 331 332
167 1 333 334
168 1 335 336
169 2 337 338
170 2 339 340
171 2 341 342
172 2 343 344
173 1 345 346
174 1 347 348
175 1 349 350
176 1 351 352
177 2 353 354
178 2 355 356
179 2 357 358
180 2 359 360
181 1 361 362
182 1 363 364
183 1 365 366
184 1 367 368
185 2 369 370
186 2 371 372
187 2 373 374
188 2 375 376
189 1 377 378
190 1 379 380
191 1 381 382
192 1 383 384
193 2 385 386
194 2 387 388
195 2 389 390
196 2 391 392
197 1 393 394
198 1 395 396
199 1 397 398
200 1 399 400
201 2 401 402
202 2 403 404
203 2 405 406
204 2 407 408
205 1 409 410
206 1 411 412
207 1 413 414
208 1 415 416
209 2 417 418
210 2 419 420
211 2 421 422
212 2 423 424
213 1 425 426
214 1 427 428
215 1 429 430
216 1 431 432
CS-Info
1 1
2 1
3 2
4 2
5 3
6 3
7 4
8 4
9 5
10 5
11 6
12 6
13 7
14 7
15 8
16 8
17 9
18 9
19 10
20 10
21 11
22 11
23 12
24 12
25 13
26 13
27 14
28 14
29 15
30 15
31 16
32 16
33 17
34 17
35 18
36 18
37 19
38 19
39 20
40 20
41 21
42 21
43 22
44 22
45 23
46 23
47 24
48 24
49 25
50 25
51 26
52 26
53 27
54 27
55 28
56 28
57 29
58 29
59 30
60 30
61 31
62 31
63 32
64 32
65 33
66 33
67 34
68 34
69 35
70 35
71 36
72 36
73 37
74 37
75 38
76 38
77 39
78 39
79 40
80 40
81 41
82 41
83 42
84 42
85 43
86 43
87 44
88 44
89 45
90 45
91 46
92 46
93 47
94 47
95 48
96 48
97 49
98 49
99 50
100 50
101 51
102 51
103 52
104 52
105 53
106 53
107 54
108 54
109 55
110 55
111 56
112 56
113 57
114 57
115 58
116 58
117 59
118 59
119 60
120 60
121 61
122 61
123 62
124 62
125 63
126 63
127 64
128 64
129 65
130 65
131 66
132 66
133 67
134 67
135 68
136 68
137 69
138 69
139 70
140 70
141 71
142 71
143 72
144 72
145 73
146 73
147 74
148 74
149 75
150 75
151 76
152 76
153 77
154 77
155 78
156 78
157 79
158 79
159 80
160 80
161 81
162 81
163 82
164 82
165 83
166 83
167 84
168 84
169 85
170 85
171 86
172 86
173 87
174 87
175 88
176 88
177 89
178 89
179 90
180 90
181 91
182 91
183 92
184 92
185 93
186 93
187 94
188 94
189 95
190 95
191 96
192 96
193 97
194 97
195 98
196 98
197 99
198 99
199 100
200 100
201 101
202 101
203 102
204 102
205 103
206 103
207 104
208 104
209 105
210 105
211 106
212 106
213 107
214 107
215 108
216 108
217 109
218 109
219 110
220 110
221 111
222 111
223 112
224 112
225 113
226 113
227 114
228 114
229 115
230 115
231 116
232 116
233 117
234 117
235 118
236 118
237 119
238 119
239 120
240 120
241 121
242 121
243 122
244 122
245 123
246 123
247 124
248 124
249 125
250 125
251 126
252 126
253 127
254 127
255 128
256 128
257 129
258 129
259 130
260 130
261 131
262 131
263 132
264 132
265 133
266 133
267 134
268 134
269 135
270 135
271 136
272 136
273 137
274 137
275 138
276 138
277 139
278 139
279 140
280 140
281 141
282 141
283 142
284 142
285 143
286 143
287 144
288 144
289 145
290 145
291 146
292 146
293 147
294 147
295 148
296 148
297 149
298 149
299 150
300 150
301 151
302 151
303 152
304 152
305 153
306 153
307 154
308 154
309 155
310 155
311 156
312 156
313 157
314 157
315 158
316 158
317 159
318 159
319 160
320 160
321 161
322 161
323 162
324 162
325 163
326 163
327 164
328 164
329 165
330 165
331 166
332 166
333 167
334 167
335 168
336 168
337 169
338 169
339 170
340 170
341 171
342 171
343 172
344 172
345 173
346 173
347 174
348 174
349 175
350 175
351 176
352 176
353 177
354 177
355 178
356 178
357 179
358 179
359 180
360 180
361 181
362 181
363 182
364 182
365 183
366 183
367 184
368 184
369 185
370 185
371 186
372 186
373 187
374 187
375 188
376 188
377 189
378 189
379 190
380 190
381 191
382 191
383 192
384 192
385 193
386 193
387 194
388 194
389 195
390 195
391 196
392 196
393 197
394 197
395 198
396 198
397 199
398 199
399 200
400 200
401 201
402 201
403 202
404 202
405 203
406 203
407 204
408 204
409 205
410 205
411 206
412 206
413 207
414 207
415 208
416 208
417 209
418 209
419 210
420 210
421 211
422 211
423 212
424 212
425 213
426 213
427 214
428 214
429 215
430 215
431 216
432 216