# # MURASHOV -library of potentials for GULP # # from V.Murashov Chem Phys Lett 236 609 (1995) # # Partial Charge Rigid-Ion Model # (parameters quoted from Girad et al 2001) # # NB I've guessed cutoffs # species P core 3.400 Ga core 1.400 O core -1.200 buckingham P core O core 9034.2080 0.19264 19.8793 0.0 12.0 Ga core O core 20955.5346 0.21576 222.2168 0.0 12.0 O core O core 1388.7730 0.36232 175.0000 0.0 12.0