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in.NaO2.dat
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in.NaO2.dat
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1024 atoms
512 bonds
256 angles
0 dihedrals
0 impropers
3 atom types
1 bond types
1 angle types
0 dihedral types
0 improper types
0.000 21.84 xlo xhi
0.000 21.84 ylo yhi
0.000 21.84 zlo zhi
Atoms
1 257 1 1.0 0.0 2.73 2.73
2 258 1 1.0 2.73 2.73 0.0
3 259 1 1.0 2.73 0.0 2.73
4 260 1 1.0 0.0 0.0 0.0
5 261 1 1.0 5.46 2.73 2.73
6 262 1 1.0 8.19 2.73 0.0
7 263 1 1.0 8.19 0.0 2.73
8 264 1 1.0 5.46 0.0 0.0
9 265 1 1.0 10.92 2.73 2.73
10 266 1 1.0 13.65 2.73 0.0
11 267 1 1.0 13.65 0.0 2.73
12 268 1 1.0 10.92 0.0 0.0
13 269 1 1.0 16.38 2.73 2.73
14 270 1 1.0 19.11 2.73 0.0
15 271 1 1.0 19.11 0.0 2.73
16 272 1 1.0 16.38 0.0 0.0
17 273 1 1.0 0.0 8.19 2.73
18 274 1 1.0 2.73 8.19 0.0
19 275 1 1.0 2.73 5.46 2.73
20 276 1 1.0 0.0 5.46 0.0
21 277 1 1.0 5.46 8.19 2.73
22 278 1 1.0 8.19 8.19 0.0
23 279 1 1.0 8.19 5.46 2.73
24 280 1 1.0 5.46 5.46 0.0
25 281 1 1.0 10.92 8.19 2.73
26 282 1 1.0 13.65 8.19 0.0
27 283 1 1.0 13.65 5.46 2.73
28 284 1 1.0 10.92 5.46 0.0
29 285 1 1.0 16.38 8.19 2.73
30 286 1 1.0 19.11 8.19 0.0
31 287 1 1.0 19.11 5.46 2.73
32 288 1 1.0 16.38 5.46 0.0
33 289 1 1.0 0.0 13.65 2.73
34 290 1 1.0 2.73 13.65 0.0
35 291 1 1.0 2.73 10.92 2.73
36 292 1 1.0 0.0 10.92 0.0
37 293 1 1.0 5.46 13.65 2.73
38 294 1 1.0 8.19 13.65 0.0
39 295 1 1.0 8.19 10.92 2.73
40 296 1 1.0 5.46 10.92 0.0
41 297 1 1.0 10.92 13.65 2.73
42 298 1 1.0 13.65 13.65 0.0
43 299 1 1.0 13.65 10.92 2.73
44 300 1 1.0 10.92 10.92 0.0
45 301 1 1.0 16.38 13.65 2.73
46 302 1 1.0 19.11 13.65 0.0
47 303 1 1.0 19.11 10.92 2.73
48 304 1 1.0 16.38 10.92 0.0
49 305 1 1.0 0.0 19.11 2.73
50 306 1 1.0 2.73 19.11 0.0
51 307 1 1.0 2.73 16.38 2.73
52 308 1 1.0 0.0 16.38 0.0
53 309 1 1.0 5.46 19.11 2.73
54 310 1 1.0 8.19 19.11 0.0
55 311 1 1.0 8.19 16.38 2.73
56 312 1 1.0 5.46 16.38 0.0
57 313 1 1.0 10.92 19.11 2.73
58 314 1 1.0 13.65 19.11 0.0
59 315 1 1.0 13.65 16.38 2.73
60 316 1 1.0 10.92 16.38 0.0
61 317 1 1.0 16.38 19.11 2.73
62 318 1 1.0 19.11 19.11 0.0
63 319 1 1.0 19.11 16.38 2.73
64 320 1 1.0 16.38 16.38 0.0
65 321 1 1.0 0.0 2.73 8.19
66 322 1 1.0 2.73 2.73 5.46
67 323 1 1.0 2.73 0.0 8.19
68 324 1 1.0 0.0 0.0 5.46
69 325 1 1.0 5.46 2.73 8.19
70 326 1 1.0 8.19 2.73 5.46
71 327 1 1.0 8.19 0.0 8.19
72 328 1 1.0 5.46 0.0 5.46
73 329 1 1.0 10.92 2.73 8.19
74 330 1 1.0 13.65 2.73 5.46
75 331 1 1.0 13.65 0.0 8.19
76 332 1 1.0 10.92 0.0 5.46
77 333 1 1.0 16.38 2.73 8.19
78 334 1 1.0 19.11 2.73 5.46
79 335 1 1.0 19.11 0.0 8.19
80 336 1 1.0 16.38 0.0 5.46
81 337 1 1.0 0.0 8.19 8.19
82 338 1 1.0 2.73 8.19 5.46
83 339 1 1.0 2.73 5.46 8.19
84 340 1 1.0 0.0 5.46 5.46
85 341 1 1.0 5.46 8.19 8.19
86 342 1 1.0 8.19 8.19 5.46
87 343 1 1.0 8.19 5.46 8.19
88 344 1 1.0 5.46 5.46 5.46
89 345 1 1.0 10.92 8.19 8.19
90 346 1 1.0 13.65 8.19 5.46
91 347 1 1.0 13.65 5.46 8.19
92 348 1 1.0 10.92 5.46 5.46
93 349 1 1.0 16.38 8.19 8.19
94 350 1 1.0 19.11 8.19 5.46
95 351 1 1.0 19.11 5.46 8.19
96 352 1 1.0 16.38 5.46 5.46
97 353 1 1.0 0.0 13.65 8.19
98 354 1 1.0 2.73 13.65 5.46
99 355 1 1.0 2.73 10.92 8.19
100 356 1 1.0 0.0 10.92 5.46
101 357 1 1.0 5.46 13.65 8.19
102 358 1 1.0 8.19 13.65 5.46
103 359 1 1.0 8.19 10.92 8.19
104 360 1 1.0 5.46 10.92 5.46
105 361 1 1.0 10.92 13.65 8.19
106 362 1 1.0 13.65 13.65 5.46
107 363 1 1.0 13.65 10.92 8.19
108 364 1 1.0 10.92 10.92 5.46
109 365 1 1.0 16.38 13.65 8.19
110 366 1 1.0 19.11 13.65 5.46
111 367 1 1.0 19.11 10.92 8.19
112 368 1 1.0 16.38 10.92 5.46
113 369 1 1.0 0.0 19.11 8.19
114 370 1 1.0 2.73 19.11 5.46
115 371 1 1.0 2.73 16.38 8.19
116 372 1 1.0 0.0 16.38 5.46
117 373 1 1.0 5.46 19.11 8.19
118 374 1 1.0 8.19 19.11 5.46
119 375 1 1.0 8.19 16.38 8.19
120 376 1 1.0 5.46 16.38 5.46
121 377 1 1.0 10.92 19.11 8.19
122 378 1 1.0 13.65 19.11 5.46
123 379 1 1.0 13.65 16.38 8.19
124 380 1 1.0 10.92 16.38 5.46
125 381 1 1.0 16.38 19.11 8.19
126 382 1 1.0 19.11 19.11 5.46
127 383 1 1.0 19.11 16.38 8.19
128 384 1 1.0 16.38 16.38 5.46
129 385 1 1.0 0.0 2.73 13.65
130 386 1 1.0 2.73 2.73 10.92
131 387 1 1.0 2.73 0.0 13.65
132 388 1 1.0 0.0 0.0 10.92
133 389 1 1.0 5.46 2.73 13.65
134 390 1 1.0 8.19 2.73 10.92
135 391 1 1.0 8.19 0.0 13.65
136 392 1 1.0 5.46 0.0 10.92
137 393 1 1.0 10.92 2.73 13.65
138 394 1 1.0 13.65 2.73 10.92
139 395 1 1.0 13.65 0.0 13.65
140 396 1 1.0 10.92 0.0 10.92
141 397 1 1.0 16.38 2.73 13.65
142 398 1 1.0 19.11 2.73 10.92
143 399 1 1.0 19.11 0.0 13.65
144 400 1 1.0 16.38 0.0 10.92
145 401 1 1.0 0.0 8.19 13.65
146 402 1 1.0 2.73 8.19 10.92
147 403 1 1.0 2.73 5.46 13.65
148 404 1 1.0 0.0 5.46 10.92
149 405 1 1.0 5.46 8.19 13.65
150 406 1 1.0 8.19 8.19 10.92
151 407 1 1.0 8.19 5.46 13.65
152 408 1 1.0 5.46 5.46 10.92
153 409 1 1.0 10.92 8.19 13.65
154 410 1 1.0 13.65 8.19 10.92
155 411 1 1.0 13.65 5.46 13.65
156 412 1 1.0 10.92 5.46 10.92
157 413 1 1.0 16.38 8.19 13.65
158 414 1 1.0 19.11 8.19 10.92
159 415 1 1.0 19.11 5.46 13.65
160 416 1 1.0 16.38 5.46 10.92
161 417 1 1.0 0.0 13.65 13.65
162 418 1 1.0 2.73 13.65 10.92
163 419 1 1.0 2.73 10.92 13.65
164 420 1 1.0 0.0 10.92 10.92
165 421 1 1.0 5.46 13.65 13.65
166 422 1 1.0 8.19 13.65 10.92
167 423 1 1.0 8.19 10.92 13.65
168 424 1 1.0 5.46 10.92 10.92
169 425 1 1.0 10.92 13.65 13.65
170 426 1 1.0 13.65 13.65 10.92
171 427 1 1.0 13.65 10.92 13.65
172 428 1 1.0 10.92 10.92 10.92
173 429 1 1.0 16.38 13.65 13.65
174 430 1 1.0 19.11 13.65 10.92
175 431 1 1.0 19.11 10.92 13.65
176 432 1 1.0 16.38 10.92 10.92
177 433 1 1.0 0.0 19.11 13.65
178 434 1 1.0 2.73 19.11 10.92
179 435 1 1.0 2.73 16.38 13.65
180 436 1 1.0 0.0 16.38 10.92
181 437 1 1.0 5.46 19.11 13.65
182 438 1 1.0 8.19 19.11 10.92
183 439 1 1.0 8.19 16.38 13.65
184 440 1 1.0 5.46 16.38 10.92
185 441 1 1.0 10.92 19.11 13.65
186 442 1 1.0 13.65 19.11 10.92
187 443 1 1.0 13.65 16.38 13.65
188 444 1 1.0 10.92 16.38 10.92
189 445 1 1.0 16.38 19.11 13.65
190 446 1 1.0 19.11 19.11 10.92
191 447 1 1.0 19.11 16.38 13.65
192 448 1 1.0 16.38 16.38 10.92
193 449 1 1.0 0.0 2.73 19.11
194 450 1 1.0 2.73 2.73 16.38
195 451 1 1.0 2.73 0.0 19.11
196 452 1 1.0 0.0 0.0 16.38
197 453 1 1.0 5.46 2.73 19.11
198 454 1 1.0 8.19 2.73 16.38
199 455 1 1.0 8.19 0.0 19.11
200 456 1 1.0 5.46 0.0 16.38
201 457 1 1.0 10.92 2.73 19.11
202 458 1 1.0 13.65 2.73 16.38
203 459 1 1.0 13.65 0.0 19.11
204 460 1 1.0 10.92 0.0 16.38
205 461 1 1.0 16.38 2.73 19.11
206 462 1 1.0 19.11 2.73 16.38
207 463 1 1.0 19.11 0.0 19.11
208 464 1 1.0 16.38 0.0 16.38
209 465 1 1.0 0.0 8.19 19.11
210 466 1 1.0 2.73 8.19 16.38
211 467 1 1.0 2.73 5.46 19.11
212 468 1 1.0 0.0 5.46 16.38
213 469 1 1.0 5.46 8.19 19.11
214 470 1 1.0 8.19 8.19 16.38
215 471 1 1.0 8.19 5.46 19.11
216 472 1 1.0 5.46 5.46 16.38
217 473 1 1.0 10.92 8.19 19.11
218 474 1 1.0 13.65 8.19 16.38
219 475 1 1.0 13.65 5.46 19.11
220 476 1 1.0 10.92 5.46 16.38
221 477 1 1.0 16.38 8.19 19.11
222 478 1 1.0 19.11 8.19 16.38
223 479 1 1.0 19.11 5.46 19.11
224 480 1 1.0 16.38 5.46 16.38
225 481 1 1.0 0.0 13.65 19.11
226 482 1 1.0 2.73 13.65 16.38
227 483 1 1.0 2.73 10.92 19.11
228 484 1 1.0 0.0 10.92 16.38
229 485 1 1.0 5.46 13.65 19.11
230 486 1 1.0 8.19 13.65 16.38
231 487 1 1.0 8.19 10.92 19.11
232 488 1 1.0 5.46 10.92 16.38
233 489 1 1.0 10.92 13.65 19.11
234 490 1 1.0 13.65 13.65 16.38
235 491 1 1.0 13.65 10.92 19.11
236 492 1 1.0 10.92 10.92 16.38
237 493 1 1.0 16.38 13.65 19.11
238 494 1 1.0 19.11 13.65 16.38
239 495 1 1.0 19.11 10.92 19.11
240 496 1 1.0 16.38 10.92 16.38
241 497 1 1.0 0.0 19.11 19.11
242 498 1 1.0 2.73 19.11 16.38
243 499 1 1.0 2.73 16.38 19.11
244 500 1 1.0 0.0 16.38 16.38
245 501 1 1.0 5.46 19.11 19.11
246 502 1 1.0 8.19 19.11 16.38
247 503 1 1.0 8.19 16.38 19.11
248 504 1 1.0 5.46 16.38 16.38
249 505 1 1.0 10.92 19.11 19.11
250 506 1 1.0 13.65 19.11 16.38
251 507 1 1.0 13.65 16.38 19.11
252 508 1 1.0 10.92 16.38 16.38
253 509 1 1.0 16.38 19.11 19.11
254 510 1 1.0 19.11 19.11 16.38
255 511 1 1.0 19.11 16.38 19.11
256 512 1 1.0 16.38 16.38 16.38
257 1 2 -0.85 3.1080005 -0.37800050000000013 5.8380005
258 1 2 -0.85 2.3519995 0.3780004999999998 5.0819995
259 1 3 0.7 2.73 -1.64723286e-16 5.46
260 2 2 -0.85 3.1080005 3.1080005 3.1080005
261 2 2 -0.85 2.3519995 2.3519995 2.3519995
262 2 3 0.7 2.73 2.73 2.73
263 3 2 -0.85 -0.37800050000000013 5.8380005 3.1080005
264 3 2 -0.85 0.3780004999999998 5.0819995 2.3519995
265 3 3 0.7 -1.64723286e-16 5.46 2.73
266 4 2 -0.85 -0.37800050000000013 2.3519995 5.8380005
267 4 2 -0.85 0.3780004999999998 3.1080005 5.0819995
268 4 3 0.7 -1.64723286e-16 2.73 5.46
269 5 2 -0.85 8.5680005 -0.37800050000000013 5.8380005
270 5 2 -0.85 7.8119995 0.3780004999999998 5.0819995
271 5 3 0.7 8.19 -1.64723286e-16 5.46
272 6 2 -0.85 8.5680005 3.1080005 3.1080005
273 6 2 -0.85 7.8119995 2.3519995 2.3519995
274 6 3 0.7 8.19 2.73 2.73
275 7 2 -0.85 5.0819995 5.8380005 3.1080005
276 7 2 -0.85 5.8380005 5.0819995 2.3519995
277 7 3 0.7 5.46 5.46 2.73
278 8 2 -0.85 5.0819995 2.3519995 5.8380005
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