lammps-graphene/materials/unit_bicrystals/10/10_5252.POSCAR

145 lines
9.9 KiB
Plaintext
Raw Normal View History

2020-12-23 22:12:07 +00:00
C [atomic names] misorientational angle= 27.7957717225401
10.000000000000000
2.4140000000 0.0000000000 0.0000000000
0.0000000000 1.5362695026 0.0000000000
0.0000000000 0.0000000000 1.2000000000
136
Selective Dynamics
Cartestian
-0.1770843707 0.0469576327 0.0000000000 T T F
-0.0406281239 0.0863491543 0.0000000000 T T F
-0.4158828044 0.1060449212 0.0000000000 T T F
-0.2794265576 0.1454364428 0.0000000000 T T F
-0.2453124946 0.2833067869 0.0000000000 T T F
-0.1088562478 0.3226983085 0.0000000000 T T F
-0.0747421849 0.4605686526 0.0000000000 T T F
-0.6887953011 0.0272618657 0.0000000000 T T F
-0.6546812381 0.1651322098 0.0000000000 T T F
-0.5182249913 0.2045237314 0.0000000000 T T F
-0.4841109283 0.3423940755 0.0000000000 T T F
-0.3476546815 0.3817855971 0.0000000000 T T F
-0.3135406186 0.5196559412 0.0000000000 T T F
-0.1770843717 0.5590474628 0.0000000000 T T F
-0.1429703088 0.6969178068 0.0000000000 T T F
-1.0640499816 0.0469576327 0.0000000000 T T F
-0.9275937348 0.0863491543 0.0000000000 T T F
-0.8934796718 0.2242194983 0.0000000000 T T F
-0.7570234250 0.2636110199 0.0000000000 T T F
-0.7229093620 0.4014813640 0.0000000000 T T F
-0.5864531152 0.4408728856 0.0000000000 T T F
-0.5523390523 0.5787432297 0.0000000000 T T F
-0.4158828054 0.6181347513 0.0000000000 T T F
-0.3817687425 0.7560050954 0.0000000000 T T F
-0.2453124957 0.7953966170 0.0000000000 T T F
-0.2111984327 0.9332669611 0.0000000000 T T F
-0.0747421859 0.9726584827 0.0000000000 T T F
-0.0406281229 1.1105288268 0.0000000000 T T F
-1.1663921685 0.1454364428 0.0000000000 T T F
-1.1322781055 0.2833067869 0.0000000000 T T F
-0.9958218587 0.3226983085 0.0000000000 T T F
-0.9617077958 0.4605686526 0.0000000000 T T F
-0.8252515489 0.4999601742 0.0000000000 T T F
-0.7911374860 0.6378305183 0.0000000000 T T F
-0.6546812392 0.6772220399 0.0000000000 T T F
-0.6205671762 0.8150923840 0.0000000000 T T F
-0.4841109294 0.8544839056 0.0000000000 T T F
-0.4499968664 0.9923542497 0.0000000000 T T F
-0.3135406196 1.0317457713 0.0000000000 T T F
-0.2794265566 1.1696161154 0.0000000000 T T F
-0.1429703098 1.2090076370 0.0000000000 T T F
-0.1088562468 1.3468779810 0.0000000000 T T F
-1.0640499826 0.5590474628 0.0000000000 T T F
-1.0299359197 0.6969178068 0.0000000000 T T F
-0.8934796729 0.7363093284 0.0000000000 T T F
-0.8593656099 0.8741796725 0.0000000000 T T F
-0.7229093631 0.9135711941 0.0000000000 T T F
-0.6887953001 1.0514415382 0.0000000000 T T F
-0.5523390533 1.0908330598 0.0000000000 T T F
-0.5182249903 1.2287034039 0.0000000000 T T F
-0.3817687435 1.2680949255 0.0000000000 T T F
-0.3476546805 1.4059652696 0.0000000000 T T F
-0.2111984337 1.4453567912 0.0000000000 T T F
-1.1322781066 0.7953966170 0.0000000000 T T F
-1.0981640436 0.9332669611 0.0000000000 T T F
-0.9617077968 0.9726584827 0.0000000000 T T F
-0.9275937338 1.1105288268 0.0000000000 T T F
-0.7911374870 1.1499203484 0.0000000000 T T F
-0.7570234240 1.2877906925 0.0000000000 T T F
-0.6205671772 1.3271822141 0.0000000000 T T F
-0.5864531142 1.4650525582 0.0000000000 T T F
-0.4499968674 1.5044440798 0.0000000000 T T F
-1.1663921675 1.1696161154 0.0000000000 T T F
-1.0299359207 1.2090076370 0.0000000000 T T F
-0.9958218577 1.3468779810 0.0000000000 T T F
-0.8593656109 1.3862695026 0.0000000000 T T F
-0.8252515479 1.5241398467 0.0000000000 T T F
-1.0981640446 1.4453567912 0.0000000000 T T F
0.3476546805 0.0196957670 0.0000000000 T T F
0.2111984337 0.0590872886 0.0000000000 T T F
0.1770843707 0.1969576327 0.0000000000 T T F
0.0406281239 0.2363491543 0.0000000000 T T F
0.5864531142 0.0787830555 0.0000000000 T T F
0.4499968674 0.1181745771 0.0000000000 T T F
0.4158828044 0.2560449212 0.0000000000 T T F
0.2794265576 0.2954364428 0.0000000000 T T F
0.2453124946 0.4333067869 0.0000000000 T T F
0.1088562478 0.4726983085 0.0000000000 T T F
0.0747421849 0.6105686526 0.0000000000 T T F
0.8252515479 0.1378703441 0.0000000000 T T F
0.6887953011 0.1772618657 0.0000000000 T T F
0.6546812381 0.3151322098 0.0000000000 T T F
0.5182249913 0.3545237314 0.0000000000 T T F
0.4841109283 0.4923940755 0.0000000000 T T F
0.3476546815 0.5317855971 0.0000000000 T T F
0.3135406186 0.6696559412 0.0000000000 T T F
0.1770843717 0.7090474628 0.0000000000 T T F
0.1429703088 0.8469178068 0.0000000000 T T F
1.0981640446 0.0590872886 0.0000000000 T T F
1.0640499816 0.1969576327 0.0000000000 T T F
0.9275937348 0.2363491543 0.0000000000 T T F
0.8934796718 0.3742194983 0.0000000000 T T F
0.7570234250 0.4136110199 0.0000000000 T T F
0.7229093620 0.5514813640 0.0000000000 T T F
0.5864531152 0.5908728856 0.0000000000 T T F
0.5523390523 0.7287432297 0.0000000000 T T F
0.4158828054 0.7681347513 0.0000000000 T T F
0.3817687425 0.9060050954 0.0000000000 T T F
0.2453124957 0.9453966170 0.0000000000 T T F
0.2111984327 1.0832669611 0.0000000000 T T F
0.0747421859 1.1226584827 0.0000000000 T T F
0.0406281229 1.2605288268 0.0000000000 T T F
1.1663921685 0.2954364428 0.0000000000 T T F
1.1322781055 0.4333067869 0.0000000000 T T F
0.9958218587 0.4726983085 0.0000000000 T T F
0.9617077958 0.6105686526 0.0000000000 T T F
0.8252515489 0.6499601742 0.0000000000 T T F
0.7911374860 0.7878305183 0.0000000000 T T F
0.6546812392 0.8272220399 0.0000000000 T T F
0.6205671762 0.9650923840 0.0000000000 T T F
0.4841109294 1.0044839056 0.0000000000 T T F
0.4499968664 1.1423542497 0.0000000000 T T F
0.3135406196 1.1817457713 0.0000000000 T T F
0.2794265566 1.3196161154 0.0000000000 T T F
0.1429703098 1.3590076370 0.0000000000 T T F
0.1088562468 1.4968779810 0.0000000000 T T F
1.0640499826 0.7090474628 0.0000000000 T T F
1.0299359197 0.8469178068 0.0000000000 T T F
0.8934796729 0.8863093284 0.0000000000 T T F
0.8593656099 1.0241796725 0.0000000000 T T F
0.7229093631 1.0635711941 0.0000000000 T T F
0.6887953001 1.2014415382 0.0000000000 T T F
0.5523390533 1.2408330598 0.0000000000 T T F
0.5182249903 1.3787034039 0.0000000000 T T F
0.3817687435 1.4180949255 0.0000000000 T T F
1.1322781066 0.9453966170 0.0000000000 T T F
1.0981640436 1.0832669611 0.0000000000 T T F
0.9617077968 1.1226584827 0.0000000000 T T F
0.9275937338 1.2605288268 0.0000000000 T T F
0.7911374870 1.2999203484 0.0000000000 T T F
0.7570234240 1.4377906925 0.0000000000 T T F
0.6205671772 1.4771822141 0.0000000000 T T F
1.1663921675 1.3196161154 0.0000000000 T T F
1.0299359207 1.3590076370 0.0000000000 T T F
0.9958218577 1.4968779810 0.0000000000 T T F
0.8593656109 1.5362695026 0.0000000000 T T F