LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 15

3 atoms
2 atom types
2 bonds
1 bond types
1 angles
1 angle types

-3.3333333300000001e-01 9.6666666669999994e+00 xlo xhi
-3.3333333300000001e-01 9.6666666669999994e+00 ylo yhi
0.0000000000000000e+00 1.0000000000000000e+01 zlo zhi

Masses

1 15.9994
2 1.00797

Pair Coeffs # lj/class2/coul/cut

1 0.274 3.608
2 0.013 1.098

Bond Coeffs # class2

1 0.97 563.28 -1428.22 1902.12

Angle Coeffs # class2

1 103.7 49.84 -11.6 -8

BondBond Coeffs

1 -9.5 0.97 0.97

BondAngle Coeffs

1 22.35 22.35 0.97 0.97

Atoms # full

1 1 1 -8.3399999999999996e-01 4.9317110579061119e+00 4.9317110579061119e+00 5.0000000000000000e+00 0 0 0
2 1 2 4.1699999999999998e-01 3.9722822924820522e+00 5.0960066496118355e+00 5.0000000000000000e+00 0 0 0
3 1 2 4.1699999999999998e-01 5.0960066496118355e+00 3.9722822924820522e+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

Bonds

1 1 1 2
2 1 1 3

Angles

1 1 2 1 3