a-C_block.NpT.8x8x8.room_cond.data

LAMMPS data file via write_data, version 3 Mar 2020, timestep = 4093377

512 atoms
1 atom types

2.5871180611971489e-01 1.6960922593880969e+01 xlo xhi
2.2320101226086919e-01 1.6996433387739490e+01 ylo yhi
2.5184507963380653e-01 1.6967789320366329e+01 zlo zhi

Masses

1 12.011

Atoms # atomic

496 1 4.7505074225306565e-01 3.7623145645328417e+00 6.9175547349165123e-01 2 1 3
236 1 3.1358046847023626e+00 2.6235062526878097e+00 4.3343415059197774e+00 -2 2 -2
255 1 2.2193211071122878e+00 9.5793888348972500e-01 3.1458275276262593e+00 0 0 0
360 1 3.4003138040289480e+00 1.7516134736968436e+00 3.2097732224341611e+00 0 -1 2
248 1 3.1720670722778954e+00 3.9574242854940067e+00 3.8832101297710619e+00 1 1 0
373 1 2.1260107286605905e+00 4.5349896497958033e+00 6.5622117161512445e+00 1 3 -1
222 1 5.4465853785788232e-01 4.5311610221472703e-01 1.5038145627714161e+00 0 2 1
320 1 8.4487635788376381e-01 4.0097966409210350e+00 3.0343989985460240e+00 1 -1 0
132 1 1.7083675424693543e+00 9.8646964188122122e-01 4.5163161534051843e+00 0 0 2
266 1 2.2219263787315695e+00 4.3137589317673228e+00 2.9391202215290226e+00 0 -1 -1
343 1 3.4633154082990756e+00 1.3833959882170039e+00 7.5591228243361268e+00 2 1 -2
63 1 5.3381266483183176e-01 5.2599906346107810e+00 4.9942928310635617e+00 -2 0 1
151 1 2.5559356156341337e+00 5.1856338250131309e+00 1.8341940985079483e+00 1 2 0
251 1 3.0829223471545557e+00 4.9835416795730643e+00 5.5192241024083710e-01 -1 0 -1
112 1 8.1630737980274204e-01 4.6892227521050467e+00 6.2238715459146938e+00 0 2 -1
70 1 2.3289241639603957e+00 1.9761070803700558e+00 5.3273978817540453e+00 0 1 -2
336 1 2.5579464072932598e+00 3.4204540122229163e+00 7.2439778604906806e+00 2 1 0
19 1 2.7227851058281796e+00 2.1869557102676316e+00 6.6638069439062173e+00 0 3 0
177 1 4.3584545641385883e+00 5.6094415045765809e+00 6.3629166605599217e+00 -1 2 0
271 1 2.9876167202393753e+00 5.7062764998572675e+00 6.7377303307379952e+00 2 0 0
326 1 7.6484888159697419e+00 5.1230342130204845e+00 3.8047217750800519e+00 0 1 0
486 1 6.2493964346215360e+00 1.8680378890009899e+00 4.3539233120418119e-01 2 3 -1
219 1 5.6773515911440926e+00 5.9457397589537941e-01 5.8335811282487815e-01 1 0 -1
395 1 4.5886990872675790e+00 1.6641316049159238e+00 2.4855062677391704e+00 1 -1 2
301 1 7.3130469653111518e+00 3.0165170129581735e+00 4.8305468655140338e+00 0 1 1
425 1 6.8329540996591653e+00 4.0087018261807383e+00 4.0082756500326235e+00 0 -1 -1
96 1 7.7268533425185453e+00 1.8497775311439910e+00 4.1566952628126517e+00 -1 1 0
242 1 7.6117696917278437e+00 7.6426349627359103e-01 4.9774176701834421e+00 -1 0 1
491 1 4.6475018365080389e+00 5.6923724687903521e-01 1.5741337691916244e+00 2 2 0
392 1 5.5359562250079781e+00 3.8145831951388294e+00 3.4530099461935864e+00 1 0 0
31 1 5.5330750731980949e+00 2.7047220832283796e+00 2.5409010234873799e+00 2 1 0
202 1 6.5951337796195801e+00 2.4220486303694773e+00 1.6590141282877573e+00 1 1 0
400 1 8.0724749479976623e+00 1.9811753695928238e+00 6.9433440008655181e+00 -1 0 1
359 1 8.1993478902168633e+00 5.4417111097661950e+00 2.5299034362474879e+00 0 2 0
98 1 8.4269866381699217e+00 8.6224629625265947e-01 6.1382044187333724e+00 1 1 -1
183 1 7.9755057617987957e+00 2.5674838166883136e+00 1.8871756511549322e+00 -2 0 3
272 1 7.8907807089778998e+00 4.4343479125732612e+00 6.6987159979612070e+00 -1 1 0
346 1 8.4352931420648520e+00 5.5544652073295566e+00 6.0426071136822488e+00 0 0 -1
459 1 5.0984917503153167e+00 5.3499954972030030e+00 7.5570209430838435e+00 1 2 -1
86 1 7.7123433989854924e+00 3.1325884814093268e+00 6.2019348377935142e+00 -2 1 0
478 1 7.3497879878443975e+00 4.6779856718255308e+00 7.9356224299269655e+00 -2 -1 1
260 1 4.6293172219904113e+00 5.6566340574941982e+00 4.8702540891793067e+00 2 0 0
107 1 4.4398534181384157e+00 4.5179643763352626e+00 4.0226326958893575e+00 1 -1 0
470 1 2.5992592788305355e+00 6.3429988438403573e+00 7.9570765019821366e+00 2 0 -1
287 1 6.3942452381116075e+00 5.7182678853086015e+00 7.9241952245419283e+00 2 0 1
214 1 7.6197593345402188e+00 7.6588579428896226e+00 7.3058906347378718e+00 1 1 3
240 1 7.8687198126242128e+00 6.6936802254521783e+00 2.0339554272907403e+00 1 1 3
182 1 7.0219408838244064e+00 8.0842984805270248e+00 6.0545061101005366e+00 -1 -1 -1
252 1 6.7996786172094703e+00 7.5016055314428653e+00 2.5393725908483020e+00 1 0 2
264 1 3.5538880744637198e+00 7.5812163459765376e+00 3.9752034623516055e+00 0 -1 1
487 1 2.5046234127424376e+00 6.5426422942467992e+00 2.1129924297876705e+00 -1 0 -1
147 1 7.8445770721012416e+00 6.0022094819170890e+00 4.8499087164061017e+00 2 2 0
109 1 4.7703375388869089e+00 6.9343556331995666e+00 4.2072607633351815e+00 -4 -1 2
331 1 6.1566202442937472e+00 7.3000972432194944e+00 3.8306026328715044e+00 0 1 -1
500 1 1.1204288270475902e+00 7.2573225960024477e+00 3.8747212861092475e+00 -1 -1 1
233 1 7.1267922177780987e+00 7.1876862775619355e+00 4.9075322426374539e+00 -1 -1 1
72 1 2.9344694912627487e+00 7.4750948379850675e+00 9.8052375163434657e-01 1 1 0
226 1 2.4070684110499623e+00 6.9847377104563479e+00 3.3953019442417305e+00 0 -1 -2
229 1 5.2963030381424736e-01 6.6797761414712422e+00 5.0037688398596831e+00 2 0 1
23 1 3.9467894121529192e+00 8.4612505904141191e+00 1.5415530833488726e+00 1 1 0
83 1 5.1796038858986932e+00 8.3546540309409671e+00 9.6617662634979784e-01 1 0 1
129 1 6.3535104488598639e+00 8.5405267532539977e+00 1.6915477222645687e+00 1 -1 1
108 1 7.4917414706660179e-01 8.3606257192866273e+00 7.9401254464722131e+00 -1 1 -1
455 1 4.3464153782917359e-01 8.2612341673200724e+00 3.1638348698592234e+00 -2 1 0
99 1 3.6471141231358395e+00 1.2553104171586746e+01 6.0515556874418974e-01 1 -1 2
95 1 4.6296759227231759e+00 1.0926513260400034e+01 5.4933647185131731e+00 1 -1 1
440 1 4.1505740643340046e+00 1.0799829636789603e+01 2.2756175495449851e+00 -2 0 1
172 1 4.4491811410297002e+00 1.2184756364905834e+01 4.9119590646080544e+00 -1 -1 -1
120 1 3.7808762581183362e+00 9.4509212149878206e+00 2.5496883691755756e+00 1 1 0
39 1 5.4052658239191347e+00 1.1351200301742699e+01 2.7666249582834541e+00 -1 -1 0
235 1 5.3377185913455802e+00 1.2591895445691103e+01 3.9085014869045476e+00 -1 0 1
241 1 5.2104823360300734e-01 1.2650193298411331e+01 1.3923865391929562e+00 0 -2 -1
356 1 2.7260977574003009e+00 1.0923179183007335e+01 7.0826419385171206e+00 0 1 0
482 1 2.1950899263397607e+00 1.2726586592843720e+01 5.5323280527848437e+00 4 0 1
279 1 3.2430270359661567e-01 9.6357798182671477e+00 5.9187387846325441e+00 1 1 -1
227 1 3.4025085152083108e+00 1.0324363080900634e+01 5.9638458797693881e+00 1 0 2
24 1 2.1922741547559124e+00 1.2241373740974202e+01 6.8779137095529155e+00 0 -2 0
329 1 1.2903370318740728e+00 9.6928187145906843e+00 4.8823973375839058e+00 1 -1 -1
143 1 6.8921718356705319e-01 9.6034587671118636e+00 3.5610641430593373e+00 1 1 -1
285 1 3.4716378972190163e+00 9.0185155278015365e+00 3.8996443114399022e+00 -2 -2 -2
334 1 3.2515067534373245e+00 1.1468111428489591e+01 1.4687532000474393e+00 -2 1 1
20 1 1.9718483858111819e+00 1.0792675978435936e+01 1.2633812316633528e+00 -2 0 2
139 1 8.5806419191592398e-01 1.1411608061952041e+01 1.9287839598873278e+00 1 -1 1
292 1 1.8043046971102423e+00 9.5517995132459355e+00 5.8235460135938477e-01 0 -1 0
311 1 2.6964475966296981e+00 9.6705192855650512e+00 4.9667440648152459e+00 -1 1 -1
437 1 3.6867091281999538e+00 1.6780525767926942e+01 7.1379945227413577e+00 -1 -1 -1
218 1 3.8823030657621898e+00 1.6115820516619358e+01 1.5745850237150785e+00 0 -2 2
367 1 2.5291846382652654e+00 1.5894046715355993e+01 1.7433117598363923e+00 1 -2 1
324 1 8.4958603780480602e-01 1.6741132663747415e+01 4.9650099218923680e+00 2 -1 0
56 1 9.1806147869147225e-01 1.4400655960871061e+01 4.2236152497883053e+00 2 2 1
261 1 1.9994370252570466e+00 1.4575154378909737e+01 1.0871298499793935e+00 0 1 2
317 1 3.6209449331151700e-01 1.4550958391944780e+01 2.9709632490736628e+00 2 0 0
473 1 1.7228417939931238e+00 1.6944047909007143e+01 2.1391029644049167e+00 0 -1 1
295 1 1.4239728145241313e+00 1.5461850475855007e+01 4.9289478066208057e+00 0 -1 1
284 1 4.4427027674949100e+00 1.4940187657504136e+01 1.0813895178531523e+00 0 0 2
22 1 5.0380342019395670e+00 1.4844638597295729e+01 4.8828589311906008e+00 -1 0 -2
16 1 3.7285121068204861e+00 1.4419955983784318e+01 5.1278577671990933e+00 -1 -1 1
493 1 2.6794799549845014e+00 1.5840134576245182e+01 6.8626308723068989e+00 1 0 1
358 1 2.6722010812268331e+00 1.5310669368470574e+01 5.5614003117269242e+00 2 -1 0
9 1 5.0743276235036712e+00 1.6634248688924547e+01 6.6963502744206194e+00 0 0 -2
480 1 3.4654797932275287e+00 1.3115171895840378e+01 5.1193529891864920e+00 -1 -1 0
296 1 1.3016746964749104e+00 1.2990917778016776e+01 7.7235200709802765e+00 -1 1 1
253 1 1.5595779321200722e+00 1.5404107742932430e+01 7.6992801063847764e+00 1 1 -2
393 1 9.7664540384352216e-01 1.3862014581540780e+01 1.9438552657245929e+00 -1 -1 0
477 1 1.0522201620612344e+00 1.3112444993714650e+01 4.8177733124294191e+00 0 1 -2
339 1 3.4061640143598142e+00 1.3937200644293219e+01 9.1054945079272320e-01 2 0 0
293 1 6.5412162277993229e+00 1.3843714534650831e+01 5.4433000067497772e-01 1 -2 1
305 1 7.5830898061641046e+00 1.0325835551962882e+01 6.7076368408649873e+00 2 -1 2
283 1 6.6627721291876005e+00 9.5152084866592475e+00 5.9672531696135609e+00 -1 1 1
43 1 7.9261372467509599e+00 1.2613267279539199e+01 4.6388903774295871e+00 -4 -1 -1
322 1 8.3743101624382934e+00 1.0961289559438594e+01 2.7661386023839771e+00 0 0 0
443 1 6.3372643654856180e+00 1.0863416052850720e+01 3.9488502189322925e+00 0 -1 -1
41 1 5.7720047161140693e+00 1.0269506216471958e+01 5.0753352481811040e+00 1 0 1
429 1 6.3911231267137909e+00 1.1634330090862216e+01 1.6527970364904119e+00 0 0 -1
67 1 7.6311974302616790e+00 1.0825445254877478e+01 1.4679593610875368e+00 0 0 0
167 1 7.6440490865924504e+00 1.1470801046399274e+01 3.8117372012331301e+00 2 1 -1
135 1 5.9792482601575969e+00 1.2582882493047702e+01 7.2581517728210365e-01 0 0 0
414 1 7.4701380452017183e+00 9.3194736337496149e+00 1.0364135899982934e+00 0 -1 0
145 1 7.2849442618483735e+00 1.3870282110970649e+01 4.5741304863623631e+00 -1 -1 1
5 1 7.8973915244671566e+00 1.3619720831728861e+01 7.5631549590812712e+00 -1 0 2
75 1 6.0860510427686627e+00 1.6784182759066933e+01 7.7437736316953263e+00 1 -2 0
194 1 7.3055881770136910e+00 1.0703852728453265e+01 7.9999012995438665e+00 -1 0 -2
170 1 7.6641344492298469e+00 1.5178492932967101e+01 5.0182923148700480e+00 -1 0 0
412 1 8.3356541195896696e+00 1.5397751802879291e+01 6.2732981237446221e+00 2 -1 0
502 1 7.6911144721361655e+00 1.4983291307031507e+01 7.4033339530942515e+00 1 -1 0
21 1 5.7827169682993365e+00 1.4989497917880467e+01 5.5848467235098354e-01 -1 0 0
418 1 6.8271425435755244e+00 1.6342112821647021e+01 4.8357861947446308e+00 0 0 -1
268 1 5.8891456056565543e+00 1.3829115239844279e+01 4.2360067372784922e+00 0 -1 0
243 1 5.5171795518848130e+00 1.6070299550436545e+01 5.3329675979254292e+00 -1 -1 1
46 1 1.8324447635604688e+00 2.4484195429351452e+00 1.0823186420632281e+01 -1 0 0
150 1 1.3274108052124154e+00 3.6471375222302620e+00 1.0231487108861241e+01 1 0 -1
207 1 2.4924840464863283e+00 2.5641467988569056e+00 1.2091871037019654e+01 1 3 -2
238 1 3.3333405712402078e+00 3.6244408066580998e+00 8.6297454072221065e+00 1 -2 2
104 1 1.4346758420147911e+00 1.3005452087846394e+00 1.0071761918098126e+01 -1 1 -1
302 1 3.0314505236568063e+00 1.4652967426206829e+00 1.2772025077140098e+01 0 1 0
481 1 3.9634757450821145e-01 1.3974648306081225e+00 9.0111661500450815e+00 0 -1 -1
401 1 2.1663994393512978e+00 4.3360946181118178e+00 9.3693092174865811e+00 -2 -4 0
81 1 4.3532388351408873e+00 4.7453434392551541e+00 8.5942084167441148e+00 -1 1 2
448 1 1.6958972856654280e+00 5.5164441843691243e+00 8.7221534114788106e+00 1 -1 -1
61 1 4.3378465598965441e+00 6.4069148732806216e+00 1.0464647759665601e+01 0 1 -1
80 1 2.2296150468390117e+00 6.7186460011985956e+00 1.2614263321192746e+01 -1 0 0
58 1 3.4009252760572557e+00 5.9846171917442215e+00 1.2612357684470332e+01 0 2 0
479 1 4.7496914564095705e-01 5.2289664478288751e+00 1.3509270884777042e+01 2 1 -1
385 1 2.0803277119990913e+00 4.2906746175651012e-01 1.3036414117973628e+01 -1 1 -1
176 1 2.2913229833787905e+00 3.7106090145072925e+00 1.2922393947240268e+01 0 0 1
217 1 2.8852258869685310e-01 5.6011103077716378e+00 8.3697145310932175e+00 -1 -3 -1
121 1 3.4219642055926824e+00 4.6462301613260468e+00 1.3045645932427373e+01 0 2 0
82 1 4.1383509924622031e+00 2.1992436465330472e+00 8.5427426661262889e+00 0 0 -1
134 1 5.6273694390052516e+00 4.4094039056565100e+00 1.0554243985117036e+01 2 1 0
205 1 5.5919145815473303e+00 9.3443585119016070e-01 1.1672523632765239e+01 -1 -1 -3
224 1 5.3586167069570285e+00 1.8985518775147594e+00 1.0661951068296112e+01 1 -1 0
51 1 5.2582301106847629e+00 3.1581228129967664e+00 1.2598996403260905e+01 2 1 0
117 1 5.4975823390502248e+00 1.6999415359738752e+00 1.3152684721176819e+01 -2 0 1
105 1 7.6406783687328321e+00 4.0818185263992657e+00 9.2386213708388070e+00 0 -2 -1
428 1 8.1637922571815924e+00 2.7480478545077336e+00 9.3858982865914626e+00 2 0 -3
442 1 8.1686490317969316e+00 6.2010006514626808e+00 1.3023434131667962e+01 1 0 2
17 1 7.4644484261692083e+00 7.1331132538105528e+00 9.7126520472456139e+00 -2 0 0
141 1 5.7777558199116221e+00 6.5951333683701892e+00 1.2596711121715147e+01 0 -1 -1
388 1 7.2845256911059497e+00 6.1032657881401926e+00 1.0665094175503150e+01 1 0 0
330 1 7.0945379064416176e+00 6.3986410092946633e+00 1.2044051246674748e+01 0 3 1
38 1 6.9957968823608105e+00 4.7511480657330178e+00 1.0295703541830891e+01 -1 3 0
113 1 6.3822837074622933e+00 1.2185519413076111e+00 8.5170210339256780e+00 0 1 1
389 1 7.6502337838936141e+00 1.8580769072526873e+00 8.3388395659300905e+00 2 0 1
234 1 5.2310207011816967e+00 1.7380404546005992e+00 9.2950209798903174e+00 -1 1 1
499 1 5.3419709267949598e+00 3.1850863937895864e+00 1.1201343834258607e+01 1 1 -3
366 1 4.6926888004870095e+00 5.2180822626288084e+00 9.8388316725178981e+00 1 1 -3
29 1 4.5538841989855481e+00 6.3992005779038639e+00 1.1870889023843811e+01 0 0 -2
398 1 6.9431531763748664e+00 6.9650394327237617e+00 8.3711792669629936e+00 1 0 -2
111 1 4.6930817516416576e+00 4.0596186647783661e+00 1.3428826511909396e+01 3 4 -2
421 1 6.6836543379117561e+00 1.4183940658703200e+00 1.4141978559143729e+01 1 1 -1
124 1 6.2556140950798884e+00 2.7558031910272671e+00 1.6072813757052899e+01 0 0 -1
28 1 1.3056809675799566e+00 6.4171757265869278e+00 1.3689544176121293e+01 -1 -2 -1
247 1 7.2053805059823439e+00 2.3928929227969369e+00 1.4992880900307691e+01 1 1 2
262 1 8.1602065636768693e+00 6.9990949974369592e+00 1.4223058147207261e+01 1 -2 -2
250 1 5.8096097553932058e+00 6.7493402844497803e+00 1.4021834720422568e+01 1 -1 -2
142 1 8.5312953635424424e+00 2.9651787769626092e+00 1.5200946056975239e+01 1 2 -1
239 1 4.0571274750408683e+00 1.5845728289867551e+00 1.3772521470079218e+01 1 1 1
335 1 3.4191725434669973e+00 1.9275778471754499e+00 1.4951106828868053e+01 1 0 -1
101 1 3.5302966604321631e+00 6.2464562828582544e+00 1.6808734418262361e+01 0 1 -2
10 1 5.1232429688335879e+00 4.5158934806768638e+00 1.4652271138643188e+01 -2 -2 -2
372 1 4.6600475345887897e+00 6.5855748924256368e+00 1.6073082824736183e+01 1 -1 0
436 1 5.0445206260797999e+00 5.9527463251075057e+00 1.4913309257607450e+01 1 -1 1
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Velocities

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