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# DATE: 2011-04-26 UNITS: metal CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Tersoff, Phys Rev B, 39, 5566-5568 (1989)
# Si and C mixture, parameterized for Tersoff potential
# this file is from Rutuparna.Narulkar @ okstate.edu
# values are from Phys Rev B, 39, 5566-5568 (1989)
# and errata (PRB 41, 3248)
# 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
C C C 3.0 1.0 0.0 38049 4.3484 -.57058 .72751
0.00000015724 2.2119 346.7 1.95 0.15 3.4879 1393.6
Si Si Si 3.0 1.0 0.0 100390 16.217 -.59825 .78734
0.0000011 1.73222 471.18 2.85 0.15 2.4799 1830.8
Si Si C 3.0 1.0 0.0 100390 16.217 -.59825 0.0
0.0 0.0 0.0 2.36 0.15 0.0 0.0
Si C C 3.0 1.0 0.0 100390 16.217 -.59825 .787340
0.0000011 1.97205 395.126 2.36 0.15 2.9839 1597.3111
C Si Si 3.0 1.0 0.0 38049 4.3484 -.57058 .72751
0.00000015724 1.97205 395.126 2.36 0.15 2.9839 1597.3111
C Si C 3.0 1.0 0.0 38049 4.3484 -.57058 0.0
0.0 0.0 0.0 1.95 0.15 0.0 0.0
C C Si 3.0 1.0 0.0 38049 4.3484 -.57058 0.0
0.0 0.0 0.0 2.36 0.15 0.0 0.0
Si C Si 3.0 1.0 0.0 100390 16.217 -.59825 0.0
0.0 0.0 0.0 2.85 0.15 0.0 0.0
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