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28
potentials/SiC_1989.tersoff Normal file
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# Si and C mixture, parameterized for Tersoff potential
# this file is from Saurav Goel - sg258@hw.ac.uk
# J. Tersoff, PRB, 39, 5566 (1989) + 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
# Tersoff's nomenclature - - - c d h n beta mu B R = (R+S)/2 D = (S-R)/2 Lambda A
C C C 3 1 0 38049 4.3484 -0.57058 0.72751 1.5724E-07 2.2119 346.74 1.95 0.15 3.4879 1393.6
Si Si Si 3 1 0 100390 16.217 -0.59825 0.78734 1.1E-06 1.7322 471.18 2.85 0.15 2.4799 1830.8
C Si Si 3 1 0 38049 4.3484 -0.57058 0.72751 1.5724E-07 1.97205 395.145 2.35726 0.1527 2.9839 1597.311
C Si C 3 1 0 38049 4.3484 -0.57058 0.72751 0 0 0 1.95 0.15 0 0
C C Si 3 1 0 38049 4.3484 -0.57058 0.72751 0 0 0 2.357260 0.15271 0 0
Si C C 3 1 0 100390 16.217 -0.59825 0.78734 1.1E-06 1.97205 395.145 2.35726 0.1527 2.9839 1597.31114
Si Si C 3 1 0 100390 16.217 -0.59825 0.78734 0 0 0 2.35726 0.15271 0 0
Si C Si 3 1 0 100390 16.217 -0.59825 0.78734 0 0 0 2.85 0.15 0 0

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potentials/SiC_1990.tersoff Normal file
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# Si and C mixture, parameterized for Tersoff potential
# this file is from Saurav Goel - sg258@hw.ac.uk
# J. Tersoff, Phys. Rev. Lett. 64, 1757 (1990).
# 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
# Tersoff's nomenclature - - - c d h n beta mu B R = (R+S)/2 D = (S-R)/2 Lambda A
C 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
Si 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
C 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
C Si C 3 1 0 19981 7.034 -0.33953 0.99054 0 0 0 2.5 0 0 0
C C Si 3 1 0 19981 7.034 -0.33953 0.99054 0 0 0 2.5 0 0 0
Si 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
Si Si C 3 1 0 100390 16.217 -0.59825 0.78734 0 0 0 2.5 0 0 0
Si C Si 3 1 0 100390 16.217 -0.59825 0.78734 0 0 0 2.5 0 0 0

28
potentials/SiC_1994.tersoff Normal file
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# Si and C mixture, parameterized for Tersoff potential
# this file is from Saurav Goel - sg258@hw.ac.uk
#J. Tersoff, Phys. Rev. B49, 16349 (1994).
# 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
# Tersoff's nomenclature - - - c d h n beta mu B R = (R+S)/2 D = (S-R)/2 Lambda A
C C C 3 1 0 19981 7.034 -0.33953 0.99054 4.1612E-06 2.3064 389.63 1.95 0.15 3.4653 1544.8
Si Si Si 3 1 0 100390 16.217 -0.59825 0.78734 1.1E-06 1.7322 471.18 2.85 0.15 2.4799 1830.8
C Si Si 3 1 0 19981 7.034 -0.33953 0.99054 4.1612E-06 2.0193 432.1540 2.357260 0.15271 2.9726 1681.731
C Si C 3 1 0 19981 7.034 -0.33953 0.99054 0 0 0 1.95 0.15 0 0
C C Si 3 1 0 19981 7.034 -0.33953 0.99054 0 0 0 2.35726042 0.15271 0 0
Si C C 3 1 0 100390 16.217 -0.59825 0.78734 1.1E-06 2.0193 432.154 2.357260 0.152719 2.9726 1681.73125
Si Si C 3 1 0 100390 16.217 -0.59825 0.78734 0 0 0 2.35726 0.152719 0 0
Si C Si 3 1 0 100390 16.217 -0.59825 0.78734 0 0 0 2.85 0.15 0 0