glycerol.data

# LAMMPS data file for glycerol 
# Created using atb2lammps 
# https://github.com/simongravelle/atb2lammps

14 atoms
13 bonds
21 angles
27 dihedrals
1 impropers

4 atom types
6 bond types
8 angle types
3 dihedral types
1 improper types

-25 25 xlo xhi
-25 25 ylo yhi
-25 25 zlo zhi

Atoms

1 1 2 0.43 2.3464763 -0.36636534 -1.2097414 
2 1 4 -0.658 2.1849296 -0.74381477 -0.32929295 
3 1 3 0.151 1.4676545 0.22365175 0.43384147 
4 1 1 0.052 1.447701 -0.14857058 1.4640954 
5 1 1 0.052 1.9800858 1.196506 0.44080997 
6 1 3 0.172 0.03549408 0.4151847 -0.06727258 
7 1 1 0.025 0.07110731 0.71140856 -1.1330849 
8 1 4 -0.676 -0.55589813 1.4550042 0.7066837 
9 1 2 0.425 -1.5156779 1.348806 0.56978863 
10 1 3 0.151 -0.8070199 -0.855126 0.05693444 
11 1 1 0.052 -0.41019082 -1.6510237 -0.583854 
12 1 1 0.052 -0.7920655 -1.2012137 1.0962888 
13 1 4 -0.658 -2.1817114 -0.5722373 -0.23425034 
14 1 2 0.43 -2.2652173 -0.45281756 -1.1952727 

Bonds

1 6 1 2 
2 2 2 3 
3 1 3 4 
4 1 3 5 
5 3 3 6 
6 4 6 7 
7 2 6 8 
8 3 6 10 
9 5 8 9 
10 1 10 11 
11 1 10 12 
12 2 10 13 
13 6 13 14 

Angles

1 1 1 2 3 
2 8 2 3 4 
3 8 2 3 5 
4 4 2 3 6 
5 6 4 3 5 
6 7 4 3 6 
7 7 5 3 6 
8 5 3 6 7 
9 2 3 6 8 
10 4 3 6 10 
11 3 7 6 8 
12 5 7 6 10 
13 2 8 6 10 
14 1 6 8 9 
15 7 6 10 11 
16 7 6 10 12 
17 4 6 10 13 
18 6 11 10 12 
19 8 11 10 13 
20 8 12 10 13 
21 1 10 13 14 

Dihedrals

1 3 1 2 3 4 
2 3 1 2 3 5 
3 1 1 2 3 6 
4 3 2 3 6 7 
5 2 2 3 6 8 
6 3 2 3 6 10 
7 3 3 6 8 9 
8 3 3 6 10 11 
9 3 3 6 10 12 
10 3 3 6 10 13 
11 3 4 3 6 7 
12 3 4 3 6 8 
13 3 4 3 6 10 
14 3 5 3 6 7 
15 3 5 3 6 8 
16 3 5 3 6 10 
17 1 6 10 13 14 
18 3 7 6 8 9 
19 3 7 6 10 11 
20 3 7 6 10 12 
21 3 7 6 10 13 
22 3 8 6 10 11 
23 3 8 6 10 12 
24 2 8 6 10 13 
25 1 9 8 6 10 
26 3 11 10 13 14 
27 3 12 10 13 14 

Impropers

1 1 6 8 10 3