			# 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_ijeps_ijlambda_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 1.695 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 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 1.300 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
			N N Ga 1.6136914 1.695 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
			Ga N Ga 1.6136914 2.100 1.6 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0

lammps/potentials/GaN.sw
01f7381bc1adlammps-icms

GaN.sw
View Options