lammps-graphene/materials/wide_unit_bicrystals/13/13_5454.POSCAR
2020-12-23 17:12:07 -05:00

369 lines
26 KiB
Plaintext
Executable File

C [atomic names] misorientational angle= 7.34099281234848
10.000000000000000
5.0065520000 0.0000000000 0.0000000000
0.0000000000 1.9213214521 0.0000000000
0.0000000000 0.0000000000 1.2000000000
360
Selective Dynamics
Cartestian
-0.0605304749 0.0989707341 0.0000000000 T T F
-0.3060258630 0.1147192706 0.0000000000 T T F
-0.1787319583 0.1777134123 0.0000000000 T T F
-0.1696395363 0.3194502450 0.0000000000 T T F
-0.0423456316 0.3824443867 0.0000000000 T T F
-0.0332532095 0.5241812194 0.0000000000 T T F
-0.5515212512 0.1304678071 0.0000000000 T T F
-0.4242273465 0.1934619488 0.0000000000 T T F
-0.4151349244 0.3351987815 0.0000000000 T T F
-0.2878410197 0.3981929232 0.0000000000 T T F
-0.2787485977 0.5399297559 0.0000000000 T T F
-0.1514546930 0.6029238976 0.0000000000 T T F
-0.1423622709 0.7446607303 0.0000000000 T T F
-0.8061090614 0.0044795109 0.0000000000 T T F
-0.7970166393 0.1462163436 0.0000000000 T T F
-0.6697227346 0.2092104853 0.0000000000 T T F
-0.6606303126 0.3509473180 0.0000000000 T T F
-0.5333364079 0.4139414597 0.0000000000 T T F
-0.5242439858 0.5556782924 0.0000000000 T T F
-0.3969500811 0.6186724341 0.0000000000 T T F
-0.3878576591 0.7604092668 0.0000000000 T T F
-0.2605637544 0.8234034085 0.0000000000 T T F
-0.2514713323 0.9651402412 0.0000000000 T T F
-0.1241774276 1.0281343829 0.0000000000 T T F
-0.1150850056 1.1698712156 0.0000000000 T T F
-1.0516044496 0.0202280474 0.0000000000 T T F
-1.0425120275 0.1619648801 0.0000000000 T T F
-0.9152181228 0.2249590218 0.0000000000 T T F
-0.9061257008 0.3666958545 0.0000000000 T T F
-0.7788317961 0.4296899962 0.0000000000 T T F
-0.7697393740 0.5714268289 0.0000000000 T T F
-0.6424454693 0.6344209706 0.0000000000 T T F
-0.6333530472 0.7761578033 0.0000000000 T T F
-0.5060591425 0.8391519450 0.0000000000 T T F
-0.4969667205 0.9808887777 0.0000000000 T T F
-0.3696728158 1.0438829194 0.0000000000 T T F
-0.3605803937 1.1856197521 0.0000000000 T T F
-0.2332864890 1.2486138938 0.0000000000 T T F
-0.2241940670 1.3903507265 0.0000000000 T T F
-0.0969001623 1.4533448683 0.0000000000 T T F
-0.0878077402 1.5950817009 0.0000000000 T T F
-1.2970998377 0.0359765839 0.0000000000 T T F
-1.2880074157 0.1777134165 0.0000000000 T T F
-1.1607135110 0.2407075583 0.0000000000 T T F
-1.1516210889 0.3824443910 0.0000000000 T T F
-1.0243271842 0.4454385327 0.0000000000 T T F
-1.0152347622 0.5871753654 0.0000000000 T T F
-0.8879408575 0.6501695071 0.0000000000 T T F
-0.8788484354 0.7919063398 0.0000000000 T T F
-0.7515545307 0.8549004815 0.0000000000 T T F
-0.7424621086 0.9966373142 0.0000000000 T T F
-0.6151682039 1.0596314559 0.0000000000 T T F
-0.6060757819 1.2013682886 0.0000000000 T T F
-0.4787818772 1.2643624303 0.0000000000 T T F
-0.4696894551 1.4060992630 0.0000000000 T T F
-0.3423955504 1.4690934047 0.0000000000 T T F
-0.3333031284 1.6108302374 0.0000000000 T T F
-0.2060092237 1.6738243792 0.0000000000 T T F
-0.1969168016 1.8155612118 0.0000000000 T T F
-0.0696228969 1.8785553536 0.0000000000 T T F
-1.5425952259 0.0517251204 0.0000000000 T T F
-1.5335028038 0.1934619530 0.0000000000 T T F
-1.4062088991 0.2564560948 0.0000000000 T T F
-1.3971164771 0.3981929274 0.0000000000 T T F
-1.2698225724 0.4611870692 0.0000000000 T T F
-1.2607301503 0.6029239019 0.0000000000 T T F
-1.1334362456 0.6659180436 0.0000000000 T T F
-1.1243438236 0.8076548763 0.0000000000 T T F
-0.9970499189 0.8706490180 0.0000000000 T T F
-0.9879574968 1.0123858507 0.0000000000 T T F
-0.8606635921 1.0753799924 0.0000000000 T T F
-0.8515711700 1.2171168251 0.0000000000 T T F
-0.7242772654 1.2801109668 0.0000000000 T T F
-0.7151848433 1.4218477995 0.0000000000 T T F
-0.5878909386 1.4848419412 0.0000000000 T T F
-0.5787985165 1.6265787739 0.0000000000 T T F
-0.4515046118 1.6895729156 0.0000000000 T T F
-0.4424121898 1.8313097483 0.0000000000 T T F
-0.3151182851 1.8943038901 0.0000000000 T T F
-1.9153845187 0.0044795151 0.0000000000 T T F
-1.7880906140 0.0674736569 0.0000000000 T T F
-1.7789981920 0.2092104895 0.0000000000 T T F
-1.6517042873 0.2722046313 0.0000000000 T T F
-1.6426118652 0.4139414639 0.0000000000 T T F
-1.5153179605 0.4769356057 0.0000000000 T T F
-1.5062255385 0.6186724384 0.0000000000 T T F
-1.3789316338 0.6816665801 0.0000000000 T T F
-1.3698392117 0.8234034128 0.0000000000 T T F
-1.2425453070 0.8863975545 0.0000000000 T T F
-1.2334528850 1.0281343872 0.0000000000 T T F
-1.1061589803 1.0911285289 0.0000000000 T T F
-1.0970665582 1.2328653616 0.0000000000 T T F
-0.9697726535 1.2958595033 0.0000000000 T T F
-0.9606802315 1.4375963360 0.0000000000 T T F
-0.8333863268 1.5005904777 0.0000000000 T T F
-0.8242939047 1.6423273104 0.0000000000 T T F
-0.6970000000 1.7053214521 0.0000000000 T T F
-0.6879075779 1.8470582848 0.0000000000 T T F
-0.5606136732 1.9100524265 0.0000000000 T T F
-2.1608799069 0.0202280516 0.0000000000 T T F
-2.0335860022 0.0832221934 0.0000000000 T T F
-2.0244935801 0.2249590260 0.0000000000 T T F
-1.8971996754 0.2879531678 0.0000000000 T T F
-1.8881072534 0.4296900004 0.0000000000 T T F
-1.7608133487 0.4926841422 0.0000000000 T T F
-1.7517209266 0.6344209748 0.0000000000 T T F
-1.6244270219 0.6974151166 0.0000000000 T T F
-1.6153345999 0.8391519493 0.0000000000 T T F
-1.4880406952 0.9021460910 0.0000000000 T T F
-1.4789482731 1.0438829237 0.0000000000 T T F
-1.3516543684 1.1068770654 0.0000000000 T T F
-1.3425619464 1.2486138981 0.0000000000 T T F
-1.2152680417 1.3116080398 0.0000000000 T T F
-1.2061756196 1.4533448725 0.0000000000 T T F
-1.0788817149 1.5163390142 0.0000000000 T T F
-1.0697892929 1.6580758469 0.0000000000 T T F
-0.9424953882 1.7210699886 0.0000000000 T T F
-0.9334029661 1.8628068213 0.0000000000 T T F
-2.4063752950 0.0359765881 0.0000000000 T T F
-2.2790813903 0.0989707299 0.0000000000 T T F
-2.2699889683 0.2407075625 0.0000000000 T T F
-2.1426950636 0.3037017043 0.0000000000 T T F
-2.1336026415 0.4454385369 0.0000000000 T T F
-2.0063087368 0.5084326787 0.0000000000 T T F
-1.9972163148 0.6501695113 0.0000000000 T T F
-1.8699224101 0.7131636531 0.0000000000 T T F
-1.8608299880 0.8549004857 0.0000000000 T T F
-1.7335360833 0.9178946275 0.0000000000 T T F
-1.7244436613 1.0596314602 0.0000000000 T T F
-1.5971497566 1.1226256019 0.0000000000 T T F
-1.5880573345 1.2643624346 0.0000000000 T T F
-1.4607634298 1.3273565763 0.0000000000 T T F
-1.4516710078 1.4690934090 0.0000000000 T T F
-1.3243771031 1.5320875507 0.0000000000 T T F
-1.3152846810 1.6738243834 0.0000000000 T T F
-1.1879907763 1.7368185251 0.0000000000 T T F
-1.1788983543 1.8785553578 0.0000000000 T T F
-2.3881904517 0.3194502408 0.0000000000 T T F
-2.3790980297 0.4611870734 0.0000000000 T T F
-2.2518041250 0.5241812152 0.0000000000 T T F
-2.2427117029 0.6659180478 0.0000000000 T T F
-2.1154177982 0.7289121896 0.0000000000 T T F
-2.1063253762 0.8706490222 0.0000000000 T T F
-1.9790314715 0.9336431640 0.0000000000 T T F
-1.9699390494 1.0753799966 0.0000000000 T T F
-1.8426451447 1.1383741384 0.0000000000 T T F
-1.8335527227 1.2801109711 0.0000000000 T T F
-1.7062588180 1.3431051128 0.0000000000 T T F
-1.6971663959 1.4848419455 0.0000000000 T T F
-1.5698724912 1.5478360872 0.0000000000 T T F
-1.5607800692 1.6895729199 0.0000000000 T T F
-1.4334861645 1.7525670616 0.0000000000 T T F
-1.4243937424 1.8943038943 0.0000000000 T T F
-2.3609131864 0.7446607261 0.0000000000 T T F
-2.3518207643 0.8863975587 0.0000000000 T T F
-2.2245268596 0.9493917005 0.0000000000 T T F
-2.2154344376 1.0911285331 0.0000000000 T T F
-2.0881405329 1.1541226749 0.0000000000 T T F
-2.0790481108 1.2958595075 0.0000000000 T T F
-1.9517542061 1.3588536493 0.0000000000 T T F
-1.9426617841 1.5005904820 0.0000000000 T T F
-1.8153678794 1.5635846237 0.0000000000 T T F
-1.8062754573 1.7053214564 0.0000000000 T T F
-1.6789815526 1.7683155981 0.0000000000 T T F
-1.6698891306 1.9100524308 0.0000000000 T T F
-2.4700222478 0.9651402370 0.0000000000 T T F
-2.4609298257 1.1068770696 0.0000000000 T T F
-2.3336359210 1.1698712114 0.0000000000 T T F
-2.3245434990 1.3116080440 0.0000000000 T T F
-2.1972495943 1.3746021858 0.0000000000 T T F
-2.1881571722 1.5163390184 0.0000000000 T T F
-2.0608632675 1.5793331602 0.0000000000 T T F
-2.0517708455 1.7210699929 0.0000000000 T T F
-1.9244769408 1.7840641346 0.0000000000 T T F
-2.4427449824 1.3903507223 0.0000000000 T T F
-2.4336525604 1.5320875549 0.0000000000 T T F
-2.3063586557 1.5950816967 0.0000000000 T T F
-2.2972662336 1.7368185294 0.0000000000 T T F
-2.1699723289 1.7998126711 0.0000000000 T T F
-2.4154677171 1.8155612076 0.0000000000 T T F
0.1969168016 0.1102397597 0.0000000000 T T F
0.0696228969 0.1732339014 0.0000000000 T T F
0.0605304749 0.3149707341 0.0000000000 T T F
0.4424121898 0.1259882962 0.0000000000 T T F
0.3151182851 0.1889824379 0.0000000000 T T F
0.3060258630 0.3307192706 0.0000000000 T T F
0.1787319583 0.3937134123 0.0000000000 T T F
0.1696395363 0.5354502450 0.0000000000 T T F
0.0423456316 0.5984443867 0.0000000000 T T F
0.0332532095 0.7401812194 0.0000000000 T T F
0.6970000000 0.0000000000 0.0000000000 T T F
0.6879075779 0.1417368327 0.0000000000 T T F
0.5606136732 0.2047309744 0.0000000000 T T F
0.5515212512 0.3464678071 0.0000000000 T T F
0.4242273465 0.4094619488 0.0000000000 T T F
0.4151349244 0.5511987815 0.0000000000 T T F
0.2878410197 0.6141929232 0.0000000000 T T F
0.2787485977 0.7559297559 0.0000000000 T T F
0.1514546930 0.8189238976 0.0000000000 T T F
0.1423622709 0.9606607303 0.0000000000 T T F
0.9424953882 0.0157485365 0.0000000000 T T F
0.9334029661 0.1574853692 0.0000000000 T T F
0.8061090614 0.2204795109 0.0000000000 T T F
0.7970166393 0.3622163436 0.0000000000 T T F
0.6697227346 0.4252104853 0.0000000000 T T F
0.6606303126 0.5669473180 0.0000000000 T T F
0.5333364079 0.6299414597 0.0000000000 T T F
0.5242439858 0.7716782924 0.0000000000 T T F
0.3969500811 0.8346724341 0.0000000000 T T F
0.3878576591 0.9764092668 0.0000000000 T T F
0.2605637544 1.0394034085 0.0000000000 T T F
0.2514713323 1.1811402412 0.0000000000 T T F
0.1241774276 1.2441343829 0.0000000000 T T F
0.1150850056 1.3858712156 0.0000000000 T T F
1.1879907763 0.0314970730 0.0000000000 T T F
1.1788983543 0.1732339056 0.0000000000 T T F
1.0516044496 0.2362280474 0.0000000000 T T F
1.0425120275 0.3779648801 0.0000000000 T T F
0.9152181228 0.4409590218 0.0000000000 T T F
0.9061257008 0.5826958545 0.0000000000 T T F
0.7788317961 0.6456899962 0.0000000000 T T F
0.7697393740 0.7874268289 0.0000000000 T T F
0.6424454693 0.8504209706 0.0000000000 T T F
0.6333530472 0.9921578033 0.0000000000 T T F
0.5060591425 1.0551519450 0.0000000000 T T F
0.4969667205 1.1968887777 0.0000000000 T T F
0.3696728158 1.2598829194 0.0000000000 T T F
0.3605803937 1.4016197521 0.0000000000 T T F
0.2332864890 1.4646138938 0.0000000000 T T F
0.2241940670 1.6063507265 0.0000000000 T T F
0.0969001623 1.6693448683 0.0000000000 T T F
0.0878077402 1.8110817009 0.0000000000 T T F
1.4334861645 0.0472456095 0.0000000000 T T F
1.4243937424 0.1889824421 0.0000000000 T T F
1.2970998377 0.2519765839 0.0000000000 T T F
1.2880074157 0.3937134165 0.0000000000 T T F
1.1607135110 0.4567075583 0.0000000000 T T F
1.1516210889 0.5984443910 0.0000000000 T T F
1.0243271842 0.6614385327 0.0000000000 T T F
1.0152347622 0.8031753654 0.0000000000 T T F
0.8879408575 0.8661695071 0.0000000000 T T F
0.8788484354 1.0079063398 0.0000000000 T T F
0.7515545307 1.0709004815 0.0000000000 T T F
0.7424621086 1.2126373142 0.0000000000 T T F
0.6151682039 1.2756314559 0.0000000000 T T F
0.6060757819 1.4173682886 0.0000000000 T T F
0.4787818772 1.4803624303 0.0000000000 T T F
0.4696894551 1.6220992630 0.0000000000 T T F
0.3423955504 1.6850934047 0.0000000000 T T F
0.3333031284 1.8268302374 0.0000000000 T T F
0.2060092237 1.8898243792 0.0000000000 T T F
1.8062754573 0.0000000042 0.0000000000 T T F
1.6789815526 0.0629941460 0.0000000000 T T F
1.6698891306 0.2047309786 0.0000000000 T T F
1.5425952259 0.2677251204 0.0000000000 T T F
1.5335028038 0.4094619530 0.0000000000 T T F
1.4062088991 0.4724560948 0.0000000000 T T F
1.3971164771 0.6141929274 0.0000000000 T T F
1.2698225724 0.6771870692 0.0000000000 T T F
1.2607301503 0.8189239019 0.0000000000 T T F
1.1334362456 0.8819180436 0.0000000000 T T F
1.1243438236 1.0236548763 0.0000000000 T T F
0.9970499189 1.0866490180 0.0000000000 T T F
0.9879574968 1.2283858507 0.0000000000 T T F
0.8606635921 1.2913799924 0.0000000000 T T F
0.8515711700 1.4331168251 0.0000000000 T T F
0.7242772654 1.4961109668 0.0000000000 T T F
0.7151848433 1.6378477995 0.0000000000 T T F
0.5878909386 1.7008419412 0.0000000000 T T F
0.5787985165 1.8425787739 0.0000000000 T T F
0.4515046118 1.9055729156 0.0000000000 T T F
2.0517708455 0.0157485407 0.0000000000 T T F
1.9244769408 0.0787426825 0.0000000000 T T F
1.9153845187 0.2204795151 0.0000000000 T T F
1.7880906140 0.2834736569 0.0000000000 T T F
1.7789981920 0.4252104895 0.0000000000 T T F
1.6517042873 0.4882046313 0.0000000000 T T F
1.6426118652 0.6299414639 0.0000000000 T T F
1.5153179605 0.6929356057 0.0000000000 T T F
1.5062255385 0.8346724384 0.0000000000 T T F
1.3789316338 0.8976665801 0.0000000000 T T F
1.3698392117 1.0394034128 0.0000000000 T T F
1.2425453070 1.1023975545 0.0000000000 T T F
1.2334528850 1.2441343872 0.0000000000 T T F
1.1061589803 1.3071285289 0.0000000000 T T F
1.0970665582 1.4488653616 0.0000000000 T T F
0.9697726535 1.5118595033 0.0000000000 T T F
0.9606802315 1.6535963360 0.0000000000 T T F
0.8333863268 1.7165904777 0.0000000000 T T F
0.8242939047 1.8583273104 0.0000000000 T T F
2.2972662336 0.0314970772 0.0000000000 T T F
2.1699723289 0.0944912190 0.0000000000 T T F
2.1608799069 0.2362280516 0.0000000000 T T F
2.0335860022 0.2992221934 0.0000000000 T T F
2.0244935801 0.4409590260 0.0000000000 T T F
1.8971996754 0.5039531678 0.0000000000 T T F
1.8881072534 0.6456900004 0.0000000000 T T F
1.7608133487 0.7086841422 0.0000000000 T T F
1.7517209266 0.8504209748 0.0000000000 T T F
1.6244270219 0.9134151166 0.0000000000 T T F
1.6153345999 1.0551519493 0.0000000000 T T F
1.4880406952 1.1181460910 0.0000000000 T T F
1.4789482731 1.2598829237 0.0000000000 T T F
1.3516543684 1.3228770654 0.0000000000 T T F
1.3425619464 1.4646138981 0.0000000000 T T F
1.2152680417 1.5276080398 0.0000000000 T T F
1.2061756196 1.6693448725 0.0000000000 T T F
1.0788817149 1.7323390142 0.0000000000 T T F
1.0697892929 1.8740758469 0.0000000000 T T F
2.4154677171 0.1102397555 0.0000000000 T T F
2.4063752950 0.2519765881 0.0000000000 T T F
2.2790813903 0.3149707299 0.0000000000 T T F
2.2699889683 0.4567075625 0.0000000000 T T F
2.1426950636 0.5197017043 0.0000000000 T T F
2.1336026415 0.6614385369 0.0000000000 T T F
2.0063087368 0.7244326787 0.0000000000 T T F
1.9972163148 0.8661695113 0.0000000000 T T F
1.8699224101 0.9291636531 0.0000000000 T T F
1.8608299880 1.0709004857 0.0000000000 T T F
1.7335360833 1.1338946275 0.0000000000 T T F
1.7244436613 1.2756314602 0.0000000000 T T F
1.5971497566 1.3386256019 0.0000000000 T T F
1.5880573345 1.4803624346 0.0000000000 T T F
1.4607634298 1.5433565763 0.0000000000 T T F
1.4516710078 1.6850934090 0.0000000000 T T F
1.3243771031 1.7480875507 0.0000000000 T T F
1.3152846810 1.8898243834 0.0000000000 T T F
2.3881904517 0.5354502408 0.0000000000 T T F
2.3790980297 0.6771870734 0.0000000000 T T F
2.2518041250 0.7401812152 0.0000000000 T T F
2.2427117029 0.8819180478 0.0000000000 T T F
2.1154177982 0.9449121896 0.0000000000 T T F
2.1063253762 1.0866490222 0.0000000000 T T F
1.9790314715 1.1496431640 0.0000000000 T T F
1.9699390494 1.2913799966 0.0000000000 T T F
1.8426451447 1.3543741384 0.0000000000 T T F
1.8335527227 1.4961109711 0.0000000000 T T F
1.7062588180 1.5591051128 0.0000000000 T T F
1.6971663959 1.7008419455 0.0000000000 T T F
1.5698724912 1.7638360872 0.0000000000 T T F
1.5607800692 1.9055729199 0.0000000000 T T F
2.3609131864 0.9606607261 0.0000000000 T T F
2.3518207643 1.1023975587 0.0000000000 T T F
2.2245268596 1.1653917005 0.0000000000 T T F
2.2154344376 1.3071285331 0.0000000000 T T F
2.0881405329 1.3701226749 0.0000000000 T T F
2.0790481108 1.5118595075 0.0000000000 T T F
1.9517542061 1.5748536493 0.0000000000 T T F
1.9426617841 1.7165904820 0.0000000000 T T F
1.8153678794 1.7795846237 0.0000000000 T T F
2.4700222478 1.1811402370 0.0000000000 T T F
2.4609298257 1.3228770696 0.0000000000 T T F
2.3336359210 1.3858712114 0.0000000000 T T F
2.3245434990 1.5276080440 0.0000000000 T T F
2.1972495943 1.5906021858 0.0000000000 T T F
2.1881571722 1.7323390184 0.0000000000 T T F
2.0608632675 1.7953331602 0.0000000000 T T F
2.4427449824 1.6063507223 0.0000000000 T T F
2.4336525604 1.7480875549 0.0000000000 T T F
2.3063586557 1.8110816967 0.0000000000 T T F