# 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 1 1 1 3.0 1.0 0.0 38049 4.3484 -0.930 0.72751 0.00000015724 2.2119 430.0 1.95 0.15 3.4879 1393.6