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
|
LAMMPS data file from msi2lmp v3.8 for hydrogen-class1
2 atoms
1 bonds
0 angles
0 dihedrals
0 impropers
1 atom types
1 bond types
0.000000000 10.000000000 xlo xhi
0.000000000 10.000000000 ylo yhi
0.000000000 10.000000000 zlo zhi
Masses
1 1.007970
Pair Coeffs
1 0.0380000011 2.4499714540
Bond Coeffs
1 398.7500 0.7461
Atoms
1 1 1 0.000000 4.600000000 5.000000000 5.000000000
2 1 1 0.000000 5.400000000 5.000000000 5.000000000
Bonds
1 1 1 2
|
