forked from lijiext/lammps
124 lines
4.2 KiB
Plaintext
124 lines
4.2 KiB
Plaintext
# RDX example
|
|
|
|
105 atoms
|
|
4 atom types
|
|
|
|
0 25.000 xlo xhi
|
|
0 25.000 ylo yhi
|
|
0 25.000 zlo zhi
|
|
|
|
Masses
|
|
|
|
1 1.0080
|
|
2 12.0107
|
|
3 15.9994
|
|
4 14.0067
|
|
|
|
Atoms
|
|
|
|
1 2 0.0 14.70747 14.63296 9.00078
|
|
2 4 0.0 14.75209 14.82706 10.48551
|
|
3 2 0.0 16.08626 14.66861 11.14801
|
|
4 4 0.0 17.12170 13.78716 10.51955
|
|
5 2 0.0 17.04682 13.61313 9.03355
|
|
6 4 0.0 15.72698 13.75678 8.33970
|
|
7 4 0.0 13.70357 13.95851 11.17372
|
|
8 4 0.0 17.16997 12.43180 11.21817
|
|
9 4 0.0 15.13478 12.38723 8.02188
|
|
10 3 0.0 12.62896 13.62099 10.53217
|
|
11 3 0.0 13.83977 13.66206 12.42825
|
|
12 3 0.0 16.82023 12.33906 12.46289
|
|
13 3 0.0 17.66680 11.40779 10.59764
|
|
14 3 0.0 15.92308 11.37429 7.84061
|
|
15 3 0.0 13.85940 12.27085 7.82144
|
|
16 1 0.0 13.68156 14.38512 8.65830
|
|
17 1 0.0 14.86042 15.64132 8.56730
|
|
18 1 0.0 16.53138 15.68341 11.16029
|
|
19 1 0.0 15.97457 14.44920 12.22991
|
|
20 1 0.0 17.69011 14.41034 8.61081
|
|
21 1 0.0 17.57332 12.69163 8.70975
|
|
22 2 0.0 3.36149 0.85818 22.25391
|
|
23 4 0.0 4.29015 1.45411 23.26712
|
|
24 2 0.0 5.74921 1.45638 22.92772
|
|
25 4 0.0 6.29203 0.41356 21.99929
|
|
26 2 0.0 5.33619 24.83726 21.00015
|
|
27 4 0.0 3.87094 24.81178 21.31073
|
|
28 4 0.0 4.05868 0.83226 24.64084
|
|
29 4 0.0 6.98470 24.30334 22.78351
|
|
30 4 0.0 3.44230 23.42075 21.76753
|
|
31 3 0.0 2.89169 0.35364 24.93982
|
|
32 3 0.0 4.99347 0.89125 0.53699
|
|
33 3 0.0 7.50875 24.56580 23.93971
|
|
34 3 0.0 7.14388 23.13739 22.23984
|
|
35 3 0.0 4.09644 22.38053 21.35482
|
|
36 3 0.0 2.36102 23.28086 22.46865
|
|
37 1 0.0 2.40372 0.54739 22.72003
|
|
38 1 0.0 3.04434 1.70393 21.61188
|
|
39 1 0.0 5.93246 2.42528 22.42195
|
|
40 1 0.0 6.37424 1.54698 23.84001
|
|
41 1 0.0 5.43492 0.47260 20.09754
|
|
42 1 0.0 5.68639 23.85112 20.63130
|
|
43 2 0.0 5.15008 14.27075 16.08622
|
|
44 4 0.0 4.09420 15.20855 16.58603
|
|
45 2 0.0 3.92027 15.30093 18.07104
|
|
46 4 0.0 4.29094 14.13174 18.93110
|
|
47 2 0.0 5.34851 13.21298 18.40049
|
|
48 4 0.0 5.54406 13.09043 16.92035
|
|
49 4 0.0 2.75847 14.92758 15.90470
|
|
50 4 0.0 3.04761 13.34492 19.33408
|
|
51 4 0.0 4.88840 11.81712 16.39491
|
|
52 3 0.0 2.74084 14.40258 14.71964
|
|
53 3 0.0 1.65772 15.32101 16.46502
|
|
54 3 0.0 1.90378 13.94960 19.41349
|
|
55 3 0.0 3.16329 12.10774 19.70337
|
|
56 3 0.0 4.75708 10.79296 17.17883
|
|
57 3 0.0 4.57293 11.72857 15.14074
|
|
58 1 0.0 4.95906 13.97394 15.03430
|
|
59 1 0.0 6.06811 14.88424 15.99204
|
|
60 1 0.0 4.58442 16.12697 18.39458
|
|
61 1 0.0 2.91579 15.69160 18.33484
|
|
62 1 0.0 6.30641 13.60900 18.79230
|
|
63 1 0.0 5.29326 12.21519 18.88294
|
|
64 2 0.0 13.05017 9.27453 21.06302
|
|
65 4 0.0 13.22363 8.73253 19.67727
|
|
66 2 0.0 12.46841 9.42196 18.58256
|
|
67 4 0.0 11.19480 10.14168 18.90515
|
|
68 2 0.0 11.05337 10.66891 20.30016
|
|
69 4 0.0 11.78824 9.99842 21.42019
|
|
70 4 0.0 12.95863 7.23041 19.64978
|
|
71 4 0.0 9.98593 9.29169 18.52622
|
|
72 4 0.0 10.85140 9.08952 22.20989
|
|
73 3 0.0 13.15446 6.52488 20.71943
|
|
74 3 0.0 12.65239 6.65389 18.52986
|
|
75 3 0.0 10.08724 8.42350 17.56895
|
|
76 3 0.0 8.83919 9.52316 19.08441
|
|
77 3 0.0 9.58446 9.35972 22.25629
|
|
78 3 0.0 11.34338 8.12396 22.92120
|
|
79 1 0.0 13.30695 8.51270 21.82781
|
|
80 1 0.0 13.86236 10.01731 21.19243
|
|
81 1 0.0 13.15621 10.19964 18.19477
|
|
82 1 0.0 12.34371 8.75964 17.70106
|
|
83 1 0.0 11.44941 11.70333 20.26572
|
|
84 1 0.0 9.98790 10.83504 20.56091
|
|
85 2 0.0 19.51848 5.12365 5.80007
|
|
86 4 0.0 19.97495 6.54940 5.74510
|
|
87 2 0.0 20.89012 6.92320 4.61959
|
|
88 4 0.0 21.76730 5.87657 4.00380
|
|
89 2 0.0 21.28205 4.46126 4.07818
|
|
90 4 0.0 20.37198 4.05135 5.19524
|
|
91 4 0.0 20.56721 6.97708 7.08440
|
|
92 4 0.0 23.19172 5.98569 4.53905
|
|
93 4 0.0 21.14957 3.30814 6.27705
|
|
94 3 0.0 20.17218 6.39776 8.17469
|
|
95 3 0.0 21.37277 7.99145 7.13448
|
|
96 3 0.0 23.63632 7.13187 4.95003
|
|
97 3 0.0 23.98190 4.96020 4.47319
|
|
98 3 0.0 22.22095 2.65104 5.95961
|
|
99 3 0.0 20.67169 3.24305 7.48024
|
|
100 1 0.0 19.18861 4.84621 6.82250
|
|
101 1 0.0 18.56668 5.09719 5.23312
|
|
102 1 0.0 20.22614 7.26910 3.80257
|
|
103 1 0.0 21.46600 7.84127 4.85745
|
|
104 1 0.0 20.69928 4.30046 3.14942
|
|
105 1 0.0 22.11866 3.74259 3.95659
|