forked from lijiext/lammps
19 lines
782 B
XML
19 lines
782 B
XML
# DATE: 2007-06-11 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Stillinger and Weber, Phys Rev B, 31, 5262, (1985)
|
|
# Stillinger-Weber 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:
|
|
# epsilon = eV; sigma = Angstroms
|
|
# other quantities are unitless
|
|
|
|
# format of a single entry (one or more lines):
|
|
# element 1, element 2, element 3,
|
|
# epsilon, sigma, a, lambda, gamma, costheta0, A, B, p, q, tol
|
|
|
|
# Here are the original parameters in metal units, for Silicon from:
|
|
#
|
|
# Stillinger and Weber, Phys. Rev. B, v. 31, p. 5262, (1985)
|
|
#
|
|
|
|
Si Si Si 2.1683 2.0951 1.80 21.0 1.20 -0.333333333333
|
|
7.049556277 0.6022245584 4.0 0.0 0.0
|