# DATE: 2011-09-15 CONTRIBUTOR: Unknown CITATION: Justo, Bazant, Kaxiras, Bulatov and Yip, Phys Rev B, 58, 2539 (1998) # EDIP parameters for various elements and mixtures # multiple entries can be added to this file, LAMMPS reads the ones it needs # these entries are in LAMMPS "metal" units # format of a single entry (one or more lines) # # element 1, element 2, element 3, # A B cutoffA cutoffC alpha beta eta # gamma lambda mu rho sigma Q0 # u1 u2 u3 u4 # # units for each parameters: # A , lambda are in eV # B, cutoffA, cutoffC, gamma, sigma are in Angstrom # alpha, beta, eta, mu, rho, Q0, u1-u4 are pure numbers # Here are the original parameters in metal units, for Silicon from: # J. F. Justo, M. Z. Bazant, E. Kaxiras, V. V. Bulatov, S. Yip # Phys. Rev. B 58, 2539 (1998) # Si Si Si 7.9821730 1.5075463 3.1213820 2.5609104 3.1083847 0.0070975 0.2523244 1.1247945 1.4533108 0.6966326 1.2085196 0.5774108 312.1341346 -0.165799 32.557 0.286198 0.66