LAMMPS data file via write_data, version 2 Aug 2023, timestep = 3, units = real

4 atoms
1 atom types

-2.5339193082946916 2.5339193082946916 xlo xhi
-2.5339193082946916 2.5339193082946916 ylo yhi
-2.5339193082946916 2.5339193082946916 zlo zhi
-1.1686513779667018e-16 -2.180527457330852e-16 -2.1726407642493332e-16 xy xz yz

Atom Type Labels

1 ITH

Bond Type Labels


Angle Type Labels


Dihedral Type Labels


Improper Type Labels


Masses

1 232.0377

Pair Coeffs # lj/cut

1 8.47 3.28118

Atoms # full

1 1 1 0 2.5339192983264804 -2.5339193082946916 -2.5339193082946916 -1 0 0
2 2 1 0 2.5339192983264804 -4.440892098500626e-16 -4.440892098500626e-16 -1 0 0
3 3 1 0 -9.968212477673433e-09 -2.5339193082946916 -4.440892098500626e-16 0 0 0
4 4 1 0 -9.968212477673433e-09 -4.440892098500626e-16 -2.5339193082946916 0 0 0

Velocities

1 -1.8517616532237467e-19 -5.272515950462749e-20 -3.793609008496216e-20
2 -1.729645479335478e-19 7.644147175926001e-20 5.895608722966415e-20
3 1.797710231994513e-19 -6.996656192450805e-20 5.0447993147284775e-20
4 1.792705470769584e-19 4.804570775931883e-20 -7.356999000645696e-20