Si.tersoff
d1bbe9546c02lammm-devel

Si.tersoff
View Options

			# DATE: 2007-10-25 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Tersoff, Phys Rev B, 37, 6991 (1988)

			# Tersoff 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:
			# A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
			# other quantities are unitless

			# This is the Si parameterization from a particular Tersoff paper:
			# J. Tersoff, PRB, 37, 6991 (1988)
			# See the SiCGe.tersoff file for different Si variants.

			# format of a single entry (one or more lines):
			# element 1, element 2, element 3,
			# m, gamma, lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A

			Si Si Si 3.0 1.0 1.3258 4.8381 2.0417 0.0000 22.956
			0.33675 1.3258 95.373 3.0 0.2 3.2394 3264.7