Si.tersoff

# DATE: 2021-01-26 UNITS: metal CONTRIBUTOR: Zhufeng Hou, hou.zhufeng@gmail.com CITATION: B. A. Gillespie, Bond oder potentials for group IV semiconductors.
# 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

# 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

# The following Si potential is from 
# Ref.1: B. A. Gillespie, Bond oder potentials for group IV semiconductors. 
#   https://www2.virginia.edu/ms/research/wadley/Thesis/BGillespiePhD.pdf 
#e1 e2  e3   m      gamma      lambda3     c          d          h      n        beta   lambda2    B        Rcut      D      lambda1      A
Si  Si  Si  1.0    1.000       0.000   1.0039e+5    16.217   -0.59825  0.78734  1.1e-6  1.7322   471.18    2.85     0.15   2.4799   1830.8