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

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

-2.0000000000000001e-01 9.8000000000000007e+00 xlo xhi
-2.0000000000000001e-01 9.8000000000000007e+00 ylo yhi
5.0000000000000000e-01 1.0500000000000000e+01 zlo zhi

Masses

1 1.00797
2 15.9994
3 1.00797

Pair Coeffs # lj/cut/coul/cut

1 0.038 2.44997
2 0.152073 3.15066
3 0 0

Bond Coeffs # harmonic

1 398.75 0.7461
2 540.634 0.957

Angle Coeffs # harmonic

1 50 104.52

Atoms # full

1 1 1 0.0000000000000000e+00 4.6360793448580777e+00 4.9999989751288503e+00 2.5000000000000000e+00 0 0 0
2 1 1 0.0000000000000000e+00 5.3639187040369425e+00 4.9999989859260383e+00 2.5000000000000000e+00 0 0 0
3 2 2 -8.3399999999999996e-01 4.9272370060124890e+00 4.9272370489778368e+00 7.5000000000000000e+00 0 0 0
4 2 3 4.1699999999999998e-01 3.9745202805917161e+00 5.0982446721165102e+00 7.5000000000000000e+00 0 0 0
5 2 3 4.1699999999999998e-01 5.0982446645007720e+00 3.9745203178507658e+00 7.5000000000000000e+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

Bonds

1 1 1 2
2 2 3 4
3 2 3 5

Angles

1 1 4 3 5