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crystal.dat
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crystal.dat
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# LAMMPS data file written by OVITO
64 atoms
1 atom types
0.0 10.9685996533 xlo xhi
0.0 10.9685996533 ylo yhi
0.0 10.9685996533 zlo zhi
0 0 0 xy xz yz
Masses
1 28.086
Atoms # atomic
1 1 0.0 0.0 0.0
2 1 2.7421497488 2.7421497488 0.0
3 1 2.7421497488 0.0 2.7421497488
4 1 0.0 2.7421497488 2.7421497488
5 1 1.3710748799 1.3710748799 1.3710748799
6 1 4.113225199 4.113225199 1.3710748799
7 1 4.113225199 1.3710748799 4.113225199
8 1 1.3710748799 4.113225199 4.113225199
9 1 0.0 0.0 5.4842994976
10 1 2.7421497488 2.7421497488 5.4842994976
11 1 2.7421497488 0.0 8.2264503981
12 1 0.0 2.7421497488 8.2264503981
13 1 1.3710748799 1.3710748799 6.8553747833
14 1 4.113225199 4.113225199 6.8553747833
15 1 4.113225199 1.3710748799 9.5975240385
16 1 1.3710748799 4.113225199 9.5975240385
17 1 0.0 5.4842994976 0.0
18 1 2.7421497488 8.2264503981 0.0
19 1 2.7421497488 5.4842994976 2.7421497488
20 1 0.0 8.2264503981 2.7421497488
21 1 1.3710748799 6.8553747833 1.3710748799
22 1 4.113225199 9.5975240385 1.3710748799
23 1 4.113225199 6.8553747833 4.113225199
24 1 1.3710748799 9.5975240385 4.113225199
25 1 0.0 5.4842994976 5.4842994976
26 1 2.7421497488 8.2264503981 5.4842994976
27 1 2.7421497488 5.4842994976 8.2264503981
28 1 0.0 8.2264503981 8.2264503981
29 1 1.3710748799 6.8553747833 6.8553747833
30 1 4.113225199 9.5975240385 6.8553747833
31 1 4.113225199 6.8553747833 9.5975240385
32 1 1.3710748799 9.5975240385 9.5975240385
33 1 5.4842994976 0.0 0.0
34 1 8.2264503981 2.7421497488 0.0
35 1 8.2264503981 0.0 2.7421497488
36 1 5.4842994976 2.7421497488 2.7421497488
37 1 6.8553747833 1.3710748799 1.3710748799
38 1 9.5975240385 4.113225199 1.3710748799
39 1 9.5975240385 1.3710748799 4.113225199
40 1 6.8553747833 4.113225199 4.113225199
41 1 5.4842994976 0.0 5.4842994976
42 1 8.2264503981 2.7421497488 5.4842994976
43 1 8.2264503981 0.0 8.2264503981
44 1 5.4842994976 2.7421497488 8.2264503981
45 1 6.8553747833 1.3710748799 6.8553747833
46 1 9.5975240385 4.113225199 6.8553747833
47 1 9.5975240385 1.3710748799 9.5975240385
48 1 6.8553747833 4.113225199 9.5975240385
49 1 5.4842994976 5.4842994976 0.0
50 1 8.2264503981 8.2264503981 0.0
51 1 8.2264503981 5.4842994976 2.7421497488
52 1 5.4842994976 8.2264503981 2.7421497488
53 1 6.8553747833 6.8553747833 1.3710748799
54 1 9.5975240385 9.5975240385 1.3710748799
55 1 9.5975240385 6.8553747833 4.113225199
56 1 6.8553747833 9.5975240385 4.113225199
57 1 5.4842994976 5.4842994976 5.4842994976
58 1 8.2264503981 8.2264503981 5.4842994976
59 1 8.2264503981 5.4842994976 8.2264503981
60 1 5.4842994976 8.2264503981 8.2264503981
61 1 6.8553747833 6.8553747833 6.8553747833
62 1 9.5975240385 9.5975240385 6.8553747833
63 1 9.5975240385 6.8553747833 9.5975240385
64 1 6.8553747833 9.5975240385 9.5975240385