opc.ff

# OPC water (kJ/mol, A, deg)
# add special M site at 0.1594 A from Ow using LAMMPS tip4p pair styles

ATOMS
#   type  m/uma    q/e    pot   pars
Ow  Ow   15.999   -1.3582 lj    3.16655  0.89036
Hw  Hw    1.008    0.6791 lj    0.00000  0.00000

BONDS
# i j    pot    re/A    ka/kJmol-1
Ow  Hw   cons   0.8724  4331.53

ANGLES
# i  j  k    pot    th/deg   ka/kjmol-1
Hw  Ow  Hw   cons   103.6   317.57