331 lines
8.0 KiB
Plaintext
331 lines
8.0 KiB
Plaintext
ITEM: TIMESTEP
|
|
0
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.326273 0.497587 0.301752
|
|
4 4 0.508428 0.424391 0.421033
|
|
5 1 0.509443 0.417821 0.304289
|
|
6 4 0.402938 0.421947 0.256202
|
|
7 4 0.249552 0.438506 0.470874
|
|
8 4 0.51306 0.322397 0.474066
|
|
9 4 0.358465 0.318887 0.230973
|
|
10 3 0.168729 0.418272 0.425168
|
|
13 3 0.55398 0.248855 0.429933
|
|
14 3 0.416957 0.24617 0.213023
|
|
15 3 0.265737 0.311781 0.211421
|
|
16 2 0.246632 0.485013 0.271848
|
|
20 2 0.551742 0.487496 0.276177
|
|
21 2 0.555252 0.350778 0.275974
|
|
11 3 0.257617 0.421187 0.563967
|
|
12 3 0.491964 0.317086 0.566575
|
|
19 2 0.428521 0.490112 0.555005
|
|
2 4 0.329203 0.502938 0.418526
|
|
3 1 0.434247 0.500477 0.46983
|
|
17 2 0.348953 0.575679 0.273088
|
|
18 2 0.468702 0.578757 0.458916
|
|
ITEM: TIMESTEP
|
|
10
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.326608 0.497799 0.301796
|
|
4 4 0.509047 0.424706 0.421159
|
|
5 1 0.509378 0.418195 0.30433
|
|
6 4 0.403081 0.422251 0.255579
|
|
7 4 0.249271 0.43843 0.47105
|
|
8 4 0.513202 0.322148 0.474253
|
|
9 4 0.358356 0.318629 0.230768
|
|
10 3 0.168648 0.41811 0.425345
|
|
13 3 0.553897 0.248682 0.430113
|
|
14 3 0.416761 0.245994 0.213026
|
|
15 3 0.265742 0.311523 0.211429
|
|
16 2 0.246958 0.484537 0.272224
|
|
20 2 0.551782 0.487771 0.276191
|
|
21 2 0.554731 0.350696 0.276375
|
|
11 3 0.257418 0.421022 0.563961
|
|
12 3 0.491975 0.316833 0.566569
|
|
19 2 0.428303 0.489601 0.554577
|
|
2 4 0.329007 0.503612 0.41864
|
|
3 1 0.434338 0.500675 0.469516
|
|
17 2 0.349179 0.57589 0.2731
|
|
18 2 0.468779 0.578958 0.458727
|
|
ITEM: TIMESTEP
|
|
20
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.327232 0.497802 0.302068
|
|
4 4 0.509935 0.425027 0.421406
|
|
5 1 0.508975 0.418625 0.30459
|
|
6 4 0.403251 0.422559 0.254659
|
|
7 4 0.249268 0.438894 0.471023
|
|
8 4 0.51358 0.322478 0.47425
|
|
9 4 0.358506 0.318959 0.230424
|
|
10 3 0.16851 0.417708 0.425778
|
|
13 3 0.553644 0.248298 0.430546
|
|
14 3 0.416258 0.245601 0.213081
|
|
15 3 0.265797 0.310905 0.2115
|
|
16 2 0.247627 0.485471 0.272048
|
|
20 2 0.551392 0.488204 0.276441
|
|
21 2 0.554913 0.351713 0.2762
|
|
11 3 0.256954 0.420606 0.56389
|
|
12 3 0.491979 0.316226 0.566508
|
|
19 2 0.428654 0.490491 0.554061
|
|
2 4 0.32863 0.504499 0.418865
|
|
3 1 0.434319 0.500648 0.46888
|
|
17 2 0.349815 0.575901 0.273369
|
|
18 2 0.468778 0.57894 0.458118
|
|
ITEM: TIMESTEP
|
|
30
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.327152 0.498104 0.301881
|
|
4 4 0.510181 0.425474 0.421312
|
|
5 1 0.509279 0.418722 0.304416
|
|
6 4 0.403465 0.423007 0.254455
|
|
7 4 0.248819 0.439412 0.471254
|
|
8 4 0.514291 0.322525 0.474545
|
|
9 4 0.358537 0.319 0.229662
|
|
10 3 0.16852 0.417275 0.426034
|
|
13 3 0.553247 0.24802 0.430812
|
|
14 3 0.415835 0.245307 0.213333
|
|
15 3 0.265872 0.310432 0.211776
|
|
16 2 0.247602 0.485874 0.27181
|
|
20 2 0.550881 0.489024 0.276768
|
|
21 2 0.555297 0.351903 0.275991
|
|
11 3 0.256714 0.420178 0.563717
|
|
12 3 0.491831 0.315759 0.566356
|
|
19 2 0.428862 0.490762 0.554233
|
|
2 4 0.32878 0.504988 0.418759
|
|
3 1 0.434436 0.500921 0.469066
|
|
17 2 0.350905 0.5761 0.273765
|
|
18 2 0.468845 0.579092 0.457104
|
|
ITEM: TIMESTEP
|
|
40
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.327429 0.498468 0.3018
|
|
4 4 0.509509 0.425182 0.421141
|
|
5 1 0.509381 0.419121 0.304355
|
|
6 4 0.40336 0.422734 0.255143
|
|
7 4 0.248614 0.440186 0.471334
|
|
8 4 0.515014 0.322904 0.474686
|
|
9 4 0.358717 0.319379 0.22896
|
|
10 3 0.168609 0.416969 0.425823
|
|
13 3 0.552903 0.247872 0.430601
|
|
14 3 0.415866 0.245146 0.213734
|
|
15 3 0.26573 0.31039 0.212199
|
|
16 2 0.247793 0.485681 0.271957
|
|
20 2 0.552301 0.488274 0.27594
|
|
21 2 0.554988 0.351771 0.276209
|
|
11 3 0.256885 0.41986 0.563678
|
|
12 3 0.491482 0.315709 0.566353
|
|
19 2 0.428594 0.490502 0.554034
|
|
2 4 0.329053 0.504291 0.418582
|
|
3 1 0.43457 0.501235 0.468873
|
|
17 2 0.349474 0.576628 0.272865
|
|
18 2 0.469067 0.579609 0.458902
|
|
ITEM: TIMESTEP
|
|
50
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.326925 0.498436 0.301528
|
|
4 4 0.509 0.425035 0.420987
|
|
5 1 0.509724 0.41867 0.304158
|
|
6 4 0.403321 0.422594 0.255677
|
|
7 4 0.248321 0.440383 0.471478
|
|
8 4 0.515334 0.322818 0.474887
|
|
9 4 0.358684 0.319294 0.22862
|
|
10 3 0.168879 0.416955 0.425261
|
|
13 3 0.55266 0.248025 0.430059
|
|
14 3 0.416244 0.245305 0.21418
|
|
15 3 0.265578 0.310821 0.212667
|
|
16 2 0.247483 0.485768 0.271684
|
|
20 2 0.551538 0.488768 0.276386
|
|
21 2 0.555312 0.351574 0.275962
|
|
11 3 0.2574 0.41981 0.563631
|
|
12 3 0.491115 0.316112 0.566341
|
|
19 2 0.428647 0.490502 0.554443
|
|
2 4 0.329301 0.503794 0.418392
|
|
3 1 0.434537 0.501162 0.469467
|
|
17 2 0.350474 0.576427 0.273298
|
|
18 2 0.468964 0.579358 0.457882
|
|
ITEM: TIMESTEP
|
|
60
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.327058 0.497995 0.301769
|
|
4 4 0.509231 0.424815 0.421196
|
|
5 1 0.509351 0.418429 0.304417
|
|
6 4 0.403254 0.422371 0.255384
|
|
7 4 0.248666 0.440173 0.471222
|
|
8 4 0.514913 0.322916 0.474652
|
|
9 4 0.358727 0.319414 0.229155
|
|
10 3 0.169105 0.417076 0.424867
|
|
13 3 0.552527 0.248218 0.42973
|
|
14 3 0.416483 0.245515 0.214438
|
|
15 3 0.265546 0.311176 0.212951
|
|
16 2 0.247647 0.486179 0.271548
|
|
20 2 0.551221 0.488554 0.276654
|
|
21 2 0.555529 0.351854 0.275991
|
|
11 3 0.257718 0.419883 0.563518
|
|
12 3 0.490989 0.316436 0.566299
|
|
19 2 0.428739 0.490808 0.554335
|
|
2 4 0.329 0.503768 0.418553
|
|
3 1 0.434315 0.500681 0.469259
|
|
17 2 0.350589 0.576047 0.273553
|
|
18 2 0.468756 0.578935 0.457764
|
|
ITEM: TIMESTEP
|
|
70
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.327228 0.49794 0.30183
|
|
4 4 0.510027 0.425014 0.421459
|
|
5 1 0.509236 0.418488 0.304544
|
|
6 4 0.403405 0.422581 0.254543
|
|
7 4 0.248993 0.439189 0.470947
|
|
8 4 0.513911 0.322519 0.474402
|
|
9 4 0.358544 0.319031 0.230246
|
|
10 3 0.169142 0.417237 0.424633
|
|
13 3 0.552527 0.2483 0.429598
|
|
14 3 0.416596 0.245628 0.214497
|
|
15 3 0.265529 0.311369 0.213038
|
|
16 2 0.247687 0.485106 0.272032
|
|
20 2 0.551801 0.48801 0.276345
|
|
21 2 0.554684 0.351123 0.276457
|
|
11 3 0.257807 0.420002 0.563474
|
|
12 3 0.491064 0.316618 0.566325
|
|
19 2 0.428259 0.489637 0.554111
|
|
2 4 0.328619 0.504475 0.418762
|
|
3 1 0.434313 0.500596 0.469083
|
|
17 2 0.349964 0.576075 0.273226
|
|
18 2 0.468794 0.578958 0.458543
|
|
ITEM: TIMESTEP
|
|
80
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.32711 0.497758 0.301843
|
|
4 4 0.510092 0.425389 0.421302
|
|
5 1 0.509238 0.418223 0.304546
|
|
6 4 0.40362 0.422989 0.254558
|
|
7 4 0.249837 0.438431 0.470332
|
|
8 4 0.512756 0.32259 0.47384
|
|
9 4 0.358586 0.319167 0.231624
|
|
10 3 0.169227 0.417323 0.42484
|
|
13 3 0.552411 0.248378 0.429892
|
|
14 3 0.416262 0.245739 0.214485
|
|
15 3 0.265825 0.311236 0.213065
|
|
16 2 0.247545 0.485205 0.271944
|
|
20 2 0.55209 0.487535 0.276227
|
|
21 2 0.554866 0.351083 0.276411
|
|
11 3 0.257514 0.420042 0.563142
|
|
12 3 0.491334 0.316488 0.566117
|
|
19 2 0.428333 0.489771 0.554295
|
|
2 4 0.328904 0.504773 0.418568
|
|
3 1 0.434217 0.500401 0.469239
|
|
17 2 0.349481 0.575935 0.27303
|
|
18 2 0.468715 0.578816 0.459064
|
|
ITEM: TIMESTEP
|
|
90
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.326935 0.498273 0.301488
|
|
4 4 0.509614 0.425531 0.421036
|
|
5 1 0.509829 0.418404 0.304244
|
|
6 4 0.403738 0.423173 0.2551
|
|
7 4 0.250263 0.437831 0.469933
|
|
8 4 0.512022 0.322505 0.47352
|
|
9 4 0.35854 0.319109 0.232513
|
|
10 3 0.169213 0.417294 0.424819
|
|
13 3 0.552245 0.248284 0.430023
|
|
14 3 0.416083 0.245763 0.214608
|
|
15 3 0.265905 0.311107 0.213212
|
|
16 2 0.247407 0.484796 0.27188
|
|
20 2 0.552743 0.48764 0.275884
|
|
21 2 0.554738 0.350576 0.276519
|
|
11 3 0.257415 0.420002 0.562942
|
|
12 3 0.491432 0.316414 0.565997
|
|
19 2 0.428058 0.489335 0.55451
|
|
2 4 0.329371 0.504557 0.418306
|
|
3 1 0.43446 0.500917 0.469602
|
|
17 2 0.34919 0.576466 0.272688
|
|
18 2 0.46896 0.579319 0.459469
|
|
ITEM: TIMESTEP
|
|
100
|
|
ITEM: NUMBER OF ATOMS
|
|
21
|
|
ITEM: BOX BOUNDS
|
|
35 48
|
|
35 48
|
|
35 48
|
|
ITEM: ATOMS
|
|
1 1 0.327483 0.498915 0.301434
|
|
4 4 0.509137 0.425356 0.420887
|
|
5 1 0.509945 0.419177 0.304176
|
|
6 4 0.4037 0.423015 0.255628
|
|
7 4 0.250144 0.437683 0.469852
|
|
8 4 0.511984 0.322312 0.473586
|
|
9 4 0.358472 0.318975 0.232614
|
|
10 3 0.169236 0.417105 0.424553
|
|
13 3 0.551932 0.248123 0.429875
|
|
14 3 0.416118 0.245651 0.214965
|
|
15 3 0.265804 0.311083 0.213608
|
|
16 2 0.24777 0.485768 0.271724
|
|
20 2 0.553332 0.488017 0.275592
|
|
21 2 0.555154 0.351523 0.2762
|
|
11 3 0.257596 0.419852 0.562724
|
|
12 3 0.491237 0.316397 0.566006
|
|
19 2 0.428507 0.490218 0.55427
|
|
2 4 0.329585 0.504077 0.41824
|
|
3 1 0.434712 0.501501 0.469167
|
|
17 2 0.349329 0.577108 0.272362
|
|
18 2 0.469281 0.579959 0.459824
|