Water molecule

3 atoms
2 atom types

-5 5 xlo xhi
0 10 ylo yhi
5 10 zlo zhi

Masses

1 1
2 15.999

Atoms

1 1  0.85 7.29 7.93
2 1  2.02 7.81 6.92
3 2  1.45 7.03 7.17