# # ISLAM(III) library - collection of potentials based # # MS Islam, S Lazure, RN Vannier, G Nowogrocki and G Mairesse # J Mater Chem 8(3) 655-660 (1998) # # Fitted for Bi2WO6 # NB check cutoffs # species Bi core 8.51 Bi shel -5.51 W core 0.11 W shel 5.89 O core 0.04 O shel -2.04 buckingham Bi shel Bi shel 24244.50 0.3284 0.0 0.0 12.0 Bi shel O shel 49529.35 0.2223 0.0 0.0 12.0 W shel O shel 767.43 0.4386 0.0 0.0 12.0 O shel O shel 9547.96 0.2192 32.0 0.0 12.0 spring Bi 359.55 W 7.69 O 6.3