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LAMMPS Description
6 atoms
5 bonds
6 angles
4 dihedrals
6 impropers
2 atom types
# 1 C
# 2 H spaces
3 bond types
# 1 C_H spaces
# 2 C_C
3 angle types
# 1 H_C_H
# 2 H_C_C spaces
2 dihedral types
# 1 H_C_C_H spaces
2 improper types
# 1 C_H_H_H spaces
-8.0 8.0 xlo xhi
-8.0 8.0 ylo yhi
-8.0 8.0 zlo zhi
Masses
1 12.011
2 1.008
Atoms # full
1 1 1 0.00 -0.6695 0.0 0.0
2 1 1 0.00 0.6695 0.0 0.0
3 1 2 0.00 -1.23422 -0.85446 0.0
4 1 2 0.00 -1.23422 0.85446 0.0
5 1 2 0.00 1.23422 -0.85446 0.0
6 1 2 0.00 1.23422 0.85446 0.0
Bonds
1 2 1 2
2 1 1 3
3 1 1 4
4 1 2 5
5 1 2 6
Angles
1 1 3 1 4
2 1 5 2 6
3 2 2 1 3
4 2 2 1 4
5 2 1 2 5
6 2 1 2 6
Dihedrals
1 1 3 1 2 5
2 1 3 1 2 6
3 1 4 1 2 5
4 1 4 1 2 6
Impropers
1 1 1 2 5 6
2 1 1 2 6 5
3 1 2 1 3 4
4 1 2 1 4 3
5 1 3 1 2 4
6 1 5 1 2 6
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