SiO.tersoff
90a690153701lammps-icms

SiO.tersoff
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			# 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 SiO parameterization from a particular Tersoff paper:
			# S. Mumetoh et al., Comp. Mat. Sci., 39 (2007) 334-339
			# converted to LAMMPS format on 08.2010
			# Teodoro Laino, teodoro.laino@gmail.com

			# 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

			Si Si Si 3.0 1.0 0.0 100390 16.217 -.59825
			0.78734 0.0000011 1.73222 471.18 2.65 0.15 2.4799 1830.8

			Si Si O 3.0 1.0 0.0 100390 16.217 -.59825
			0.00000 0.0000000 0.0000 000.00 2.215 0.155 0.0000 0000.0

			Si O Si 3.0 1.0 0.0 100390 16.217 -.59825
			0.00000 0.0000000 0.0000 000.00 2.65 0.15 0.0000 0000.0

			Si O O 3.0 1.0 0.0 100390 16.217 -.59825
			0.78734 0.0000011 2.04456 378.690 2.215 0.155 3.32549 1856.495

			O Si Si 3.0 1.0 0.0 64692.1 4.11127 -.845922
			1.04968 0.00000011632 2.04456 378.690 2.215 0.155 3.32549 1856.495

			O Si O 3.0 1.0 0.0 64692.1 4.11127 -.845922
			0.00000 0.0000000 0.0000 000.00 1.85 0.15 0.0000 0000.0

			O O Si 3.0 1.0 0.0 64692.1 4.11127 -.845922
			0.00000 0.0000000 0.0000 000.00 2.215 0.155 0.0000 0000.0

			O O O 3.0 1.0 0.0 64692.1 4.11127 -.845922
			1.04968 0.00000011632 2.35692 218.787 1.85 0.15 4.17108 1882.55