forked from lijiext/lammps
149 lines
4.8 KiB
Plaintext
149 lines
4.8 KiB
Plaintext
# Position data file
|
|
|
|
64 atoms
|
|
1 atom types
|
|
|
|
0 7.134 xlo xhi
|
|
0 7.134 ylo yhi
|
|
0 7.134 zlo zhi
|
|
|
|
0.00000000 0.00000000 0.00000000 xy xz yz
|
|
|
|
Masses
|
|
|
|
1 12.010000
|
|
|
|
Atoms
|
|
|
|
1 1 0 0 0 0
|
|
2 1 0 0.89175 0.89175 0.89175
|
|
3 1 0 1.7835 1.7835 0
|
|
4 1 0 2.67525 2.67525 0.89175
|
|
5 1 0 0 1.7835 1.7835
|
|
6 1 0 0.89175 2.67525 2.67525
|
|
7 1 0 1.7835 0 1.7835
|
|
8 1 0 2.67525 0.89175 2.67525
|
|
9 1 0 0 0 3.567
|
|
10 1 0 0.89175 0.89175 4.45875
|
|
11 1 0 1.7835 1.7835 3.567
|
|
12 1 0 2.67525 2.67525 4.45875
|
|
13 1 0 0 1.7835 5.3505
|
|
14 1 0 0.89175 2.67525 6.24225
|
|
15 1 0 1.7835 0 5.3505
|
|
16 1 0 2.67525 0.89175 6.24225
|
|
17 1 0 0 3.567 0
|
|
18 1 0 0.89175 4.45875 0.89175
|
|
19 1 0 1.7835 5.3505 0
|
|
20 1 0 2.67525 6.24225 0.89175
|
|
21 1 0 0 5.3505 1.7835
|
|
22 1 0 0.89175 6.24225 2.67525
|
|
23 1 0 1.7835 3.567 1.7835
|
|
24 1 0 2.67525 4.45875 2.67525
|
|
25 1 0 0 3.567 3.567
|
|
26 1 0 0.89175 4.45875 4.45875
|
|
27 1 0 1.7835 5.3505 3.567
|
|
28 1 0 2.67525 6.24225 4.45875
|
|
29 1 0 0 5.3505 5.3505
|
|
30 1 0 0.89175 6.24225 6.24225
|
|
31 1 0 1.7835 3.567 5.3505
|
|
32 1 0 2.67525 4.45875 6.24225
|
|
33 1 0 3.567 0 0
|
|
34 1 0 4.45875 0.89175 0.89175
|
|
35 1 0 5.3505 1.7835 0
|
|
36 1 0 6.24225 2.67525 0.89175
|
|
37 1 0 3.567 1.7835 1.7835
|
|
38 1 0 4.45875 2.67525 2.67525
|
|
39 1 0 5.3505 0 1.7835
|
|
40 1 0 6.24225 0.89175 2.67525
|
|
41 1 0 3.567 0 3.567
|
|
42 1 0 4.45875 0.89175 4.45875
|
|
43 1 0 5.3505 1.7835 3.567
|
|
44 1 0 6.24225 2.67525 4.45875
|
|
45 1 0 3.567 1.7835 5.3505
|
|
46 1 0 4.45875 2.67525 6.24225
|
|
47 1 0 5.3505 0 5.3505
|
|
48 1 0 6.24225 0.89175 6.24225
|
|
49 1 0 3.567 3.567 0
|
|
50 1 0 4.45875 4.45875 0.89175
|
|
51 1 0 5.3505 5.3505 0
|
|
52 1 0 6.24225 6.24225 0.89175
|
|
53 1 0 3.567 5.3505 1.7835
|
|
54 1 0 4.45875 6.24225 2.67525
|
|
55 1 0 5.3505 3.567 1.7835
|
|
56 1 0 6.24225 4.45875 2.67525
|
|
57 1 0 3.567 3.567 3.567
|
|
58 1 0 4.45875 4.45875 4.45875
|
|
59 1 0 5.3505 5.3505 3.567
|
|
60 1 0 6.24225 6.24225 4.45875
|
|
61 1 0 3.567 5.3505 5.3505
|
|
62 1 0 4.45875 6.24225 6.24225
|
|
63 1 0 5.3505 3.567 5.3505
|
|
64 1 0 6.24225 4.45875 6.24225
|
|
|
|
Velocities
|
|
|
|
1 -0.00733742 -0.0040297 -0.00315229
|
|
2 -0.00788609 -0.00567535 -0.00199152
|
|
3 -0.00239042 0.00710139 -0.00335049
|
|
4 0.00678551 0.0019976 0.00219289
|
|
5 0.00413717 0.00275709 0.000937637
|
|
6 -0.00126313 0.00485636 0.00727862
|
|
7 0.00337547 -0.00234623 -0.000922223
|
|
8 -0.00792183 -0.00509186 -0.00104168
|
|
9 0.00414091 0.00390285 0.000845961
|
|
10 -0.000284543 0.0010771 -0.00458404
|
|
11 -0.00394968 -0.00446363 -0.00361688
|
|
12 0.00067088 -0.00655175 -0.00752464
|
|
13 0.00306632 -0.00245545 -0.00183867
|
|
14 -0.0082145 -0.00564127 0.000281191
|
|
15 0.00504454 0.0045835 0.000495763
|
|
16 0.0035767 0.00320441 -0.00486426
|
|
17 0.00420597 0.00262005 -0.0049459
|
|
18 0.00440579 -1.76783e-05 0.00449311
|
|
19 -0.00406463 0.00613304 0.00285599
|
|
20 0.00171215 -0.00517887 0.00124326
|
|
21 0.0011118 0.00334129 -0.0015222
|
|
22 -0.00838394 -0.00112906 -0.00353379
|
|
23 -0.00578527 -0.00415501 0.00297043
|
|
24 -0.00211466 0.000964108 -0.00716523
|
|
25 -0.000204107 -0.00380986 0.00681648
|
|
26 0.00677838 0.00540935 0.0044354
|
|
27 -0.00266809 -0.00358382 -0.00241889
|
|
28 -0.0003973 0.00236566 0.00558871
|
|
29 0.000754103 0.00457797 0.000105531
|
|
30 -0.00246049 0.00110428 0.00511088
|
|
31 0.00248891 0.00623314 0.00461597
|
|
32 -0.00509423 0.000570503 0.00720856
|
|
33 -0.00244427 -0.00374384 0.00618767
|
|
34 -0.000360752 -8.10558e-05 0.00314052
|
|
35 0.00435313 -0.00630587 -0.0070309
|
|
36 0.00651087 -0.00389833 3.72525e-05
|
|
37 0.00631828 -0.00316064 0.00231522
|
|
38 -0.00579624 -0.00345068 -0.000277486
|
|
39 0.00483974 0.000715028 0.000206355
|
|
40 -0.00388164 -0.00189242 -0.00554862
|
|
41 0.00398115 0.00152915 0.00756919
|
|
42 -0.000552263 0.00352025 -0.000246143
|
|
43 -0.00800284 0.00555703 0.00425716
|
|
44 -0.00734405 -0.00752512 0.00667173
|
|
45 -0.00545636 0.00421035 0.00399552
|
|
46 0.00480246 0.00621147 -0.00492715
|
|
47 -0.00424168 0.00621818 -9.37733e-05
|
|
48 -0.00649561 0.00612908 -0.0020753
|
|
49 -0.0075007 -0.00384737 -0.00687913
|
|
50 -0.00203903 -0.00764372 0.0023883
|
|
51 0.00442642 0.00744072 -0.0049344
|
|
52 -0.00280486 -0.00509128 -0.00678045
|
|
53 0.00679491 0.00583493 0.00333875
|
|
54 0.00574665 -0.00521074 0.00523475
|
|
55 0.00305618 -0.00320094 0.00341297
|
|
56 0.004304 0.000615544 -0.00668787
|
|
57 0.00564532 0.00327373 0.00388611
|
|
58 0.000676899 0.00210326 0.00495295
|
|
59 0.000160781 -0.00744313 -0.00279828
|
|
60 0.00623521 0.00371301 0.00178015
|
|
61 0.00520759 0.000642669 0.00207913
|
|
62 0.00398042 0.0046438 -0.00359978
|
|
63 -0.00478071 -0.00304932 -0.00765125
|
|
64 0.00282671 -0.00548392 -0.00692691
|