LAMMPS data file for water

3 atoms
0 bonds
0 angles
0 dihedrals
0 impropers

2 atom types
0 bond types
0 angle types
0 dihedral types
0 improper types

0.0 9.865 xlo xhi
0.0 9.865 ylo yhi
0.0 9.865 zlo zhi

Masses

1 15.9994
2 1.008

Pair Coeffs

1 0.102 3.188
2 0.000 0.000

Atoms

1 0 1 0.00000 4.890520 4.325756 3.842052
2 0 2 0.00000 3.893761 4.308535 3.950637
3 0 2 0.00000 4.946166 4.514250 2.851741