Si.tersoff

# 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