42 lines
668 B
Plaintext
42 lines
668 B
Plaintext
LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools v1.2 on Sun Nov 20 17:28:06 EST 2011
|
|
4 atoms
|
|
3 bonds
|
|
2 angles
|
|
1 dihedrals
|
|
0 impropers
|
|
1 atom types
|
|
1 bond types
|
|
1 angle types
|
|
1 dihedral types
|
|
0 improper types
|
|
-10.000000 10.000000 xlo xhi
|
|
-10.000000 10.000000 ylo yhi
|
|
-5.000000 5.000000 zlo zhi
|
|
|
|
Masses
|
|
|
|
1 1.000000 # A
|
|
|
|
Atoms
|
|
|
|
1 1 1 -0.333333 -0.750000 -0.750000 0.000000 # A UNK
|
|
2 1 1 -0.333333 0.750000 -0.750000 0.000000 # A UNK
|
|
3 1 1 -0.333333 -0.750000 0.750000 0.000000 # A UNK
|
|
4 1 1 1.000000 0.750000 0.750000 0.000000 # A UNK
|
|
|
|
Bonds
|
|
|
|
1 1 1 2
|
|
2 1 2 3
|
|
3 1 3 4
|
|
|
|
Angles
|
|
|
|
1 1 1 2 3
|
|
2 1 2 3 4
|
|
|
|
Dihedrals
|
|
|
|
1 1 1 2 3 4
|
|
|