lammps/examples/comb/data.c-HfO2

1522 lines
102 KiB
Plaintext

Comment line
1500 atoms
0 bonds
0 angles
0 dihedrals
0 impropers
2 atom types
0 bond types
0 angle types
0 dihedral types
0 improper types
0.0000000E+00 25.3446300000000 xlo xhi
0.0000000E+00 25.3446300000000 ylo yhi
0.0000000E+00 25.3446300000000 zlo zhi
0.0000000 0.0000000 0.0000000 xy xz yz
Atoms
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3 1 3.42000000 0.00000 2.53446 2.53446
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8 2 -1.71000000 3.80169 1.26723 1.26723
9 2 -1.71000000 3.80169 3.80169 3.80169
10 2 -1.71000000 3.80169 1.26723 3.80169
11 2 -1.71000000 3.80169 3.80169 1.26723
12 2 -1.71000000 1.26723 3.80169 3.80169
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14 1 3.42000000 2.53446 2.53446 5.06893
15 1 3.42000000 0.00000 2.53446 7.60339
16 1 3.42000000 2.53446 0.00000 7.60339
17 2 -1.71000000 1.26723 1.26723 6.33616
18 2 -1.71000000 1.26723 1.26723 8.87062
19 2 -1.71000000 1.26723 3.80169 6.33616
20 2 -1.71000000 3.80169 1.26723 6.33616
21 2 -1.71000000 3.80169 3.80169 8.87062
22 2 -1.71000000 3.80169 1.26723 8.87062
23 2 -1.71000000 3.80169 3.80169 6.33616
24 2 -1.71000000 1.26723 3.80169 8.87062
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26 1 3.42000000 2.53446 2.53446 10.13785
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28 1 3.42000000 2.53446 0.00000 12.67232
29 2 -1.71000000 1.26723 1.26723 11.40508
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31 2 -1.71000000 1.26723 3.80169 11.40508
32 2 -1.71000000 3.80169 1.26723 11.40508
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34 2 -1.71000000 3.80169 1.26723 13.93955
35 2 -1.71000000 3.80169 3.80169 11.40508
36 2 -1.71000000 1.26723 3.80169 13.93955
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38 1 3.42000000 2.53446 2.53446 15.20678
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46 2 -1.71000000 3.80169 1.26723 19.00847
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