LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 16

8 atoms
2 atom types
7 bonds
2 bond types
12 angles
2 angle types
9 dihedrals
1 dihedral types

2.1454500000000001e-01 1.0214544999999999e+01 xlo xhi
1.1418000000000000e-01 1.0114179999999999e+01 ylo yhi
-1.0000145000000000e+01 -1.4500000000000000e-04 zlo zhi

Masses

1 12.0112
2 1.00797

Pair Coeffs # lj/cut/coul/cut

1 0.16 3.47451
2 0.038 2.44997

Bond Coeffs # harmonic

1 322.716 1.526
2 340.618 1.105

Angle Coeffs # harmonic

1 44.4 110
2 39.5 106.4

Dihedral Coeffs # harmonic

1 0.1581 1 3

Atoms # full

1 1 1 -8.0000000000000002e-02 4.4524466695000546e+00 5.1487002164026885e+00 -5.0006302347485345e+00 0 0 0
2 1 1 -8.0000000000000002e-02 5.9766896892153030e+00 5.0796889426210985e+00 -4.9996544827175731e+00 0 0 0
3 1 2 2.7000000000000000e-02 4.0938947910110901e+00 6.0620658648029728e+00 -5.5084975543469561e+00 0 0 0
4 1 2 2.7000000000000000e-02 4.0131227861508476e+00 4.2799775608175219e+00 -5.5231947126945471e+00 0 0 0
5 1 2 2.7000000000000000e-02 4.0519859498275457e+00 5.1583490086462893e+00 -3.9709421079082223e+00 0 0 0
6 1 2 2.7000000000000000e-02 6.4161294697399160e+00 5.9524744856787599e+00 -4.4838711524807371e+00 0 0 0
7 1 2 2.7000000000000000e-02 6.3353624851758052e+00 4.1701774309268549e+00 -4.4849204427200817e+00 0 0 0
8 1 2 2.7000000000000000e-02 6.3767281593794412e+00 5.0620064901038129e+00 -6.0294493123833437e+00 0 0 0

Velocities

1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
3 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
4 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
5 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
6 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
7 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
8 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00

Bonds

1 1 1 2
2 2 1 3
3 2 1 4
4 2 1 5
5 2 2 6
6 2 2 7
7 2 2 8

Angles

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

Dihedrals

1 1 3 1 2 6
2 1 3 1 2 7
3 1 3 1 2 8
4 1 4 1 2 6
5 1 4 1 2 7
6 1 4 1 2 8
7 1 5 1 2 6
8 1 5 1 2 7
9 1 5 1 2 8