# Tersoff, PRB 39, 5566 (1989) # # Potential for silicon. [settings] style = albe2002 comment = CITATION: P. Erhart, K. Albe, Phys. Rev. B 71, 035211 (2005) [C-C] gamma = 0.11233 S = 2.167 beta = 2.0099 D0 = 6.00 r0 = 1.4276 c = 181.910 d = 6.28433 h = 0.5556 mu = 0.0 Rcut = 2.00 Dcut = 0.15 [Si-Si] # This is Si-I from the paper, which is recommended for Si-C compounds. gamma = 0.114354 S = 1.842 beta = 1.4761 D0 = 3.24 r0 = 2.232 c = 2.00494 d = 0.81472 h = 0.259 mu = 0.0 Rcut = 2.82 Dcut = 0.14 [C-Si] gamma = 0.011877 S = 1.847 beta = 1.6991 D0 = 4.36 r0 = 1.79 c = 273987 d = 180.314 h = 0.68 mu = 0.0 Rcut = 2.40 Dcut = 0.20