1# DATE: 2011-05-03 UNITS: metal CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Tersoff, Phys Rev Lett, 64, 1757 (1990)
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3# Si and C mixture, parameterized for Tersoff potential
4# this file is from Saurav Goel - sg258@hw.ac.uk
5# J. Tersoff, Phys. Rev. Lett. 64, 1757 (1990).
6
7# Tersoff parameters for various elements and mixtures
8# multiple entries can be added to this file, LAMMPS reads the ones it needs
9# these entries are in LAMMPS "metal" units:
10#   A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
11#   other quantities are unitless
12
13# format of a single entry (one or more lines):
14#   element 1, element 2, element 3,
15#               m, gamma, lambda3, c, d, costheta0, n,
16#               beta, lambda2, B, R, D, lambda1, A
17
18# Tersoff's nomenclature -	-	-	c	d	  h		n	beta		mu	B	R = (R+S)/2  D = (S-R)/2 Lambda   A
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20C	C	C	3	1	0	19981	7.034	-0.33953	0.99054	4.1612E-06	2.3064	389.63	2.5		0	 3.4653	  1544.8
21Si	Si	Si	3	1	0	100390	16.217	-0.59825	0.78734	1.1E-06		1.7322	471.18	2.5		0	 2.4799	  1830.8
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24C	Si	Si	3	1	0	19981	7.034	-0.33953	0.99054	4.1612E-06	2.0193	427.269	2.5		0	2.9726	1681.7312
25C	Si	C	3	1	0	19981	7.034	-0.33953	0.99054	0		0	0	2.5		0	0	0
26C	C	Si	3	1	0	19981	7.034	-0.33953	0.99054	0		0	0	2.5		0	0	0
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28Si	C	C	3	1	0	100390	16.217	-0.59825	0.78734	1.1E-06		2.0193	427.269	2.5		0	2.9726	1681.7312
29Si	Si	C	3	1	0	100390	16.217	-0.59825	0.78734	0		0	0	2.5		0	0	0
30Si	C	Si	3	1	0	100390	16.217	-0.59825	0.78734	0		0	0	2.5		0	0	0
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