# DATE: 2008-01-29 CONTRIBUTOR: Unknown CITATION: Bere and Serra, Phil Mag 86, 2159 (2006) # GaN potential: A. Bere, and A. Serra, Phil. Mag. 86, 2159(2006) # note that the parameters for this literature potential are pairwise # so that there are some flexibility in the way the # parameters can be entered. As one way, we assume that # lambda_ijk is equal to lambda_ik and eps_ijk is # equal to sqrt(lambda_ij*eps_ij*lambda_ik*eps_ik)/lambda_ik, # and all other parameters in the ijk line are for ik. # These entries are in LAMMPS "metal" units: # epsilon = eV; sigma = Angstroms # other quantities are unitless # # eps sigma a lambda gamma cos(theta) A B p q tol # Ga Ga Ga 1.2000000 2.100 1.6 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0 N N N 1.2000000 1.300 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0 Ga Ga N 1.6136914 0.0 0.0 32.5 0.0 -0.333333333333 0.0 0.0 0.0 0.0 0.0 Ga N N 2.1700000 1.695 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0 N Ga Ga 2.1700000 1.695 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0 N Ga N 1.6136914 0.0 0.0 32.5 0.0 -0.333333333333 0.0 0.0 0.0 0.0 0.0 N N Ga 1.6136914 0.0 0.0 32.5 0.0 -0.333333333333 0.0 0.0 0.0 0.0 0.0 Ga N Ga 1.6136914 0.0 0.0 32.5 0.0 -0.333333333333 0.0 0.0 0.0 0.0 0.0