1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105
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ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
96
ITEM: BOX BOUNDS xy xz yz pp pp pp
-5.8469593785461873e+00 1.1693918757092380e+01 -5.8469593785461873e+00
0.0000000000000000e+00 1.0127230713433349e+01 8.4941921477842499e-16
0.0000000000000000e+00 1.3872068507749724e+01 0.0000000000000000e+00
ITEM: ATOMS id type x y z fx fy fz
1 1 0.00644528 1.68787179 3.47566293 -0.03370459 -0.00002103 -0.03990638
2 1 2.92347969 1.68787179 3.46801713 0.00628192 -0.00156410 -0.00066435
3 1 5.84695938 1.68787179 3.46801713 0.00114968 0.00000374 -0.00001133
4 1 8.77043907 1.68787179 3.46801713 0.00604970 0.00156454 -0.00061249
5 1 -1.46173984 4.21967946 3.46801713 0.00164107 -0.00415336 -0.00063402
6 1 1.46173984 4.21967946 3.46801713 0.00165846 0.00418864 -0.00064251
7 1 4.38521953 4.21967946 3.46801713 0.00106871 0.00085832 0.00024825
8 1 7.30869922 4.21967946 3.46801713 0.00107941 -0.00086969 0.00024860
9 1 -2.92347969 6.75148714 3.46801713 0.00044312 -0.00040738 -0.00001170
10 1 0.00000000 6.75148714 3.46801713 -0.00042247 -0.00001008 0.00024841
11 1 2.92347969 6.75148714 3.46801713 0.00044881 0.00040510 -0.00001104
12 1 5.84695938 6.75148714 3.46801713 -0.00042245 0.00001362 0.00024845
13 1 -4.38521953 9.28329482 3.46801713 0.00163279 -0.00105246 -0.00065979
14 1 -1.46173984 9.28329482 3.46801713 0.00107078 -0.00086128 0.00024459
15 1 1.46173984 9.28329482 3.46801713 0.00107714 0.00086663 0.00025218
16 1 4.38521953 9.28329482 3.46801713 0.00166720 0.00103315 -0.00061643
17 1 0.00000000 1.68787179 8.09203996 -0.00109807 -0.00000120 0.00187914
18 1 2.92347969 1.68787179 8.09203996 0.00051366 0.00022374 0.00040529
19 1 5.84695938 1.68787179 8.09203996 -0.00014892 0.00000032 -0.00017789
20 1 8.77043907 1.68787179 8.09203996 0.00025817 -0.00000518 0.00018565
21 1 -1.46173984 4.21967946 8.09203996 -0.00008716 -0.00001153 0.00032197
22 1 1.46173984 4.21967946 8.09203996 0.00023152 0.00012446 0.00026980
23 1 4.38521953 4.21967946 8.09203996 -0.00016883 -0.00014193 -0.00013835
24 1 7.30869922 4.21967946 8.09203996 0.00019043 -0.00006558 0.00005245
25 1 -2.92347969 6.75148714 8.09203996 -0.00002884 0.00006898 -0.00017677
26 1 0.00000000 6.75148714 8.09203996 0.00007755 -0.00013131 -0.00004380
27 1 2.92347969 6.75148714 8.09203996 -0.00002877 -0.00006971 -0.00017832
28 1 5.84695938 6.75148714 8.09203996 0.00007692 0.00020806 -0.00004386
29 1 -4.38521953 9.28329482 8.09203996 0.00003948 -0.00046149 0.00043052
30 1 -1.46173984 9.28329482 8.09203996 -0.00010237 0.00010400 -0.00019575
31 1 1.46173984 9.28329482 8.09203996 0.00012480 0.00002740 0.00010877
32 1 4.38521953 9.28329482 8.09203996 0.00010258 0.00012840 0.00015871
33 1 0.00000000 1.68787179 12.71606280 -0.00108778 -0.00000114 0.00191240
34 1 2.92347969 1.68787179 12.71606280 0.00025787 -0.00000096 0.00018423
35 1 5.84695938 1.68787179 12.71606280 -0.00014544 -0.00000016 -0.00017520
36 1 8.77043907 1.68787179 12.71606280 0.00050228 -0.00023509 0.00038594
37 1 -1.46173984 4.21967946 12.71606280 0.00023652 -0.00010473 0.00025023
38 1 1.46173984 4.21967946 12.71606280 -0.00008858 0.00001198 0.00031922
39 1 4.38521953 4.21967946 12.71606280 0.00019078 0.00006508 0.00005223
40 1 7.30869922 4.21967946 12.71606280 -0.00016897 0.00014252 -0.00014244
41 1 -2.92347969 6.75148714 12.71606280 -0.00002911 0.00006683 -0.00017513
42 1 0.00000000 6.75148714 12.71606280 0.00007736 0.00013270 -0.00004427
43 1 2.92347969 6.75148714 12.71606280 -0.00002990 -0.00006704 -0.00017594
44 1 5.84695938 6.75148714 12.71606280 0.00007797 -0.00020706 -0.00004422
45 1 -4.38521953 9.28329482 12.71606280 0.00011548 -0.00013083 0.00015056
46 1 -1.46173984 9.28329482 12.71606280 0.00012555 -0.00002771 0.00010621
47 1 1.46173984 9.28329482 12.71606280 -0.00010452 -0.00010490 -0.00019536
48 1 4.38521953 9.28329482 12.71606280 0.00003472 0.00045809 0.00042125
49 1 1.46173984 0.84393589 1.15600571 -0.00231465 0.00134036 0.00254855
50 1 4.38521953 0.84393589 1.15600571 0.00029505 -0.00027474 -0.00065032
51 1 7.30869922 0.84393589 1.15600571 0.00224353 0.00005391 0.00097163
52 1 10.23217891 0.84393589 1.15600571 0.00729111 0.00420999 0.01053036
53 1 0.00000000 3.37574357 1.15600571 0.00000302 -0.00554958 0.00656584
54 1 2.92347969 3.37574357 1.15600571 -0.00137760 -0.00003704 -0.00085068
55 1 5.84695938 3.37574357 1.15600571 -0.00038426 0.00018906 0.00002164
56 1 8.77043907 3.37574357 1.15600571 -0.00123097 -0.00003852 -0.00068917
57 1 -1.46173984 5.90755125 1.15600571 0.00081364 -0.00122449 0.00065076
58 1 1.46173984 5.90755125 1.15600571 -0.00035628 -0.00035782 -0.00032858
59 1 4.38521953 5.90755125 1.15600571 0.00018503 -0.00032920 0.00016044
60 1 7.30869922 5.90755125 1.15600571 -0.00014214 0.00013927 -0.00011676
61 1 -2.92347969 8.43935893 1.15600571 0.00012304 0.00029784 -0.00016294
62 1 0.00000000 8.43935893 1.15600571 -0.00023544 0.00000096 -0.00007592
63 1 2.92347969 8.43935893 1.15600571 0.00090903 0.00150262 0.00047973
64 1 5.84695938 8.43935893 1.15600571 -0.00130553 0.00008309 -0.00076509
65 1 1.46173984 0.84393589 5.78002854 0.00765758 -0.00440981 0.01111085
66 1 4.38521953 0.84393589 5.78002854 0.00223300 -0.00005163 0.00097049
67 1 7.30869922 0.84393589 5.78002854 0.00031784 0.00028702 -0.00066450
68 1 10.23217891 0.84393589 5.78002854 -0.00234357 -0.00136044 0.00256372
69 1 0.00000000 3.37574357 5.78002854 0.00001614 0.00577023 0.00680989
70 1 2.92347969 3.37574357 5.78002854 -0.00121145 0.00007202 -0.00068087
71 1 5.84695938 3.37574357 5.78002854 -0.00038362 -0.00019215 0.00001880
72 1 8.77043907 3.37574357 5.78002854 -0.00142614 0.00006109 -0.00082409
73 1 -1.46173984 5.90755125 5.78002854 -0.00034917 0.00032992 -0.00033863
74 1 1.46173984 5.90755125 5.78002854 0.00080792 0.00120579 0.00064374
75 1 4.38521953 5.90755125 5.78002854 -0.00014593 -0.00013777 -0.00012107
76 1 7.30869922 5.90755125 5.78002854 0.00018711 0.00032898 0.00015832
77 1 -2.92347969 8.43935893 5.78002854 0.00089516 -0.00148915 0.00048163
78 1 0.00000000 8.43935893 5.78002854 -0.00024017 0.00000098 -0.00007780
79 1 2.92347969 8.43935893 5.78002854 0.00014443 -0.00028456 -0.00017106
80 1 5.84695938 8.43935893 5.78002854 -0.00132822 -0.00012551 -0.00075732
81 1 1.46173984 0.84393589 10.40405138 -0.00003852 0.00001237 -0.00041404
82 1 4.38521953 0.84393589 10.40405138 0.00000705 -0.00000582 -0.00009001
83 1 7.30869922 0.84393589 10.40405138 0.00000616 0.00000447 -0.00009055
84 1 10.23217891 0.84393589 10.40405138 -0.00004032 -0.00001345 -0.00041303
85 1 0.00000000 3.37574357 10.40405138 -0.00001707 0.00000090 -0.00041353
86 1 2.92347969 3.37574357 10.40405138 -0.00006131 -0.00001435 0.00011548
87 1 5.84695938 3.37574357 10.40405138 0.00017260 0.00000022 0.00020665
88 1 8.77043907 3.37574357 10.40405138 -0.00006224 0.00001438 0.00011770
89 1 -1.46173984 5.90755125 10.40405138 -0.00002728 -0.00001392 -0.00009036
90 1 1.46173984 5.90755125 10.40405138 -0.00002775 0.00001518 -0.00009022
91 1 4.38521953 5.90755125 10.40405138 0.00005451 0.00006833 0.00020728
92 1 7.30869922 5.90755125 10.40405138 0.00005351 -0.00006860 0.00020602
93 1 -2.92347969 8.43935893 10.40405138 -0.00001786 -0.00001961 -0.00009009
94 1 0.00000000 8.43935893 10.40405138 0.00007159 0.00000032 -0.00000667
95 1 2.92347969 8.43935893 10.40405138 -0.00001933 0.00001979 -0.00009049
96 1 5.84695938 8.43935893 10.40405138 -0.00003690 -0.00000033 0.00011660
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