LAMMPS data file via write_data, version 8 Jul 2013-ICMS, timestep = 16

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

1 0.054 4.01
2 0.02 2.995

Bond Coeffs

1 1.53 299.67 -501.77 679.81
2 1.101 345 -691.89 844.6

Angle Coeffs

1 110.77 41.453 -10.604 5.129
2 107.66 39.641 -12.921 -2.4318

BondBond Coeffs

1 3.3872 1.53 1.101
2 5.3316 1.101 1.101

BondAngle Coeffs

1 20.754 11.421 1.53 1.101
2 18.103 18.103 1.101 1.101

Dihedral Coeffs

1 -0.1432 0 0.0617 0 -0.1083 0

AngleAngleTorsion Coeffs

1 -12.564 110.77 110.77

EndBondTorsion Coeffs

1 0.213 0.312 0.0777 0.213 0.312 0.0777 1.101 1.101

MiddleBondTorsion Coeffs

1 -14.261 -0.5322 -0.4864 1.53

BondBond13 Coeffs

1 0 1.101 1.101

AngleTorsion Coeffs

1 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.77 110.77

Improper Coeffs

1 0 0
2 0 0

AngleAngle Coeffs

1 0.2738 -0.4825 0.2738 110.77 107.66 110.77
2 -0.3157 -0.3157 -0.3157 107.66 107.66 107.66

Atoms

1 1 1 -8.0000000000000002e-02 4.4539067675324455e+00 5.1486986318902179e+00 -5.0006830135109768e+00 0 0 0
2 1 1 -8.0000000000000002e-02 5.9751600079721632e+00 5.0797955572187083e+00 -4.9995540141910881e+00 0 0 0
3 1 2 2.7000000000000000e-02 4.1033596012021949e+00 6.0613345155354175e+00 -5.5072937752799866e+00 0 0 0
4 1 2 2.7000000000000000e-02 4.0231659653053988e+00 4.2806983991406238e+00 -5.5236463558028897e+00 0 0 0
5 1 2 2.7000000000000000e-02 4.0617348419454453e+00 5.1569019898534618e+00 -3.9718024714525497e+00 0 0 0
6 1 2 2.7000000000000000e-02 6.4066557479964903e+00 5.9525258920315016e+00 -4.4851777744839287e+00 0 0 0
7 1 2 2.7000000000000000e-02 6.3256343483059201e+00 4.1718757701514066e+00 -4.4844774576947133e+00 0 0 0
8 1 2 2.7000000000000000e-02 6.3667427197399409e+00 5.0616092441786620e+00 -6.0285251375838698e+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

Impropers

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