LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 100

12 atoms
2 atom types
12 bonds
2 bond types
18 angles
2 angle types
24 dihedrals
3 dihedral types
6 impropers
1 improper types

-1.4180000000000000e-02 9.9858200000000004e+00 xlo xhi
-0.0000000000000000e+00 1.0000000000000000e+01 ylo yhi
-1.0000000000000000e+01 0.0000000000000000e+00 zlo zhi

Masses

1 1.00797
2 12.0112

Pair Coeffs # lj/cut/coul/cut

1 0.038 2.44997
2 0.148 3.61705

Bond Coeffs # harmonic

1 363.416 1.08
2 480 1.34

Angle Coeffs # harmonic

1 37 120
2 90 120

Dihedral Coeffs # harmonic

1 3 -1 2
2 3 -1 2
3 3 -1 2

Improper Coeffs # cvff

1 0.37 -1 2

Atoms # full

1 1 1 1.0199999999999999e-01 2.5658050685389746e+00 5.0000000000000000e+00 -5.0000000000000000e+00 0 0 0
2 1 2 -1.0199999999999999e-01 3.6459860339265049e+00 5.0000000000000000e+00 -5.0000000000000000e+00 0 0 0
3 1 2 -1.0199999999999999e-01 4.3158891913221265e+00 6.1603977365242004e+00 -5.0000000000000000e+00 0 0 0
4 1 2 -1.0199999999999999e-01 5.6557508086778734e+00 6.1603977365242013e+00 -5.0000000000000000e+00 0 0 0
5 1 2 -1.0199999999999999e-01 6.3256539660734958e+00 5.0000000000000000e+00 -5.0000000000000000e+00 0 0 0
6 1 2 -1.0199999999999999e-01 5.6557508086778734e+00 3.8396022634757996e+00 -5.0000000000000000e+00 0 0 0
7 1 2 -1.0199999999999999e-01 4.3158891913221265e+00 3.8396022634757991e+00 -5.0000000000000000e+00 0 0 0
8 1 1 1.0199999999999999e-01 7.4058349314610261e+00 5.0000000000000000e+00 -5.0000000000000000e+00 0 0 0
9 1 1 1.0199999999999999e-01 3.7757549564922894e+00 7.0959459039705521e+00 -5.0000000000000000e+00 0 0 0
10 1 1 1.0199999999999999e-01 6.1958850435077109e+00 7.0959459039705530e+00 -5.0000000000000000e+00 0 0 0
11 1 1 1.0199999999999999e-01 6.1958850435077109e+00 2.9040540960294479e+00 -5.0000000000000000e+00 0 0 0
12 1 1 1.0199999999999999e-01 3.7757549564922899e+00 2.9040540960294474e+00 -5.0000000000000000e+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
9 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
10 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
11 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
12 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00

Bonds

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

Angles

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

Dihedrals

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

Impropers

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