SiC.tersoff
fa8f1a20d251lammm-master-deprecated

SiC.tersoff
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			# 2-Body n, beta, lambda2, B, lambda1, and A
			# 3-Body lambda3, c, d, and costheta0
			# I think 'R' is dependent on the type of cluster
			# Rutuparna Narulkar @ Oklahoma State University

			# 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,
			# lambda3, c, d, costheta0, n,
			# beta, lambda2, B, R, D, lambda1, A, Chi

			C C C 0.0 38049 4.3484 -.57058 .72751
			0.00000015724 2.2119 346.7 1.80 0.3 3.4879 1393.6

			Si Si Si 0.0 100390 16.217 -.59825 .78734
			0.0000011 1.73222 471.18 2.7 0.3 2.4799 1830.8

			Si Si C 0.0 100390 16.217 -.59825 .78734
			0.0000011 1.73222 471.18 2.2 0.3 2.4799 1830.8

			Si C C 0.0 100390 16.217 -.59825 .787340
			0.0000011 1.97205 395.126 2.20 0.3 2.9839 1597.3111

			C Si Si 0.0 38049 4.3484 -.57058 .72751
			0.00000015724 1.97205 395.126 2.20 0.3 2.9839 1597.3111

			C Si C 0.0 38049 4.3484 -.57058 .72751
			0.00000015724 2.2119 346.7 1.80 0.3 3.4879 1393.6

			C C Si 0.0 38049 4.3484 -.57058 .72751
			0.00000015724 2.2119 346.7 2.2 0.3 3.4879 1393.6

			Si C Si 0.0 100390 16.217 -.59825 .78734
			0.0000011 1.73222 471.18 2.2 0.3 2.4799 1830.8