# # VAN BEEST library # # B.W.H.vanBeest, G.J.Kramer and R.A.vanSanten # Phys. Rev. Lett., 64, 1955 (1990) # # NB. Al(III), P(V), O(II) and I've guessed cutoffs # species Al core 1.4 P core 3.4 O core -1.2 buckingham Al core O core 16008.53 0.20848 130.56 0.0 16.0 P core O core 9034.21 0.19264 19.88 0.0 16.0 O core O core 1388.77 0.36232 175.00 0.0 16.0