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lammps/potentials/GaN.sw
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GaN.sw
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# GaN potential: A. Bere, and A. Serra, Phil. Mag. 86, 2159(2006)
# note that the parameters for this literature potential are pairwise
# so that there are some flexibility in the way the
# parameters can be entered. As one way, we assume that
# lambda_ijk is equal to lambda_ik and eps_ijk is
# equal to sqrt(lambda_ij*eps_ij*lambda_ik*eps_ik)/lambda_ik,
# and all other parameters in the ijk line are for ik.
# These entries are in LAMMPS "metal" units:
# epsilon = eV; sigma = Angstroms
# other quantities are unitless
#
# eps sigma a lambda gamma cos(theta) A B p q tol
#
Ga Ga Ga 1.2000000 2.100 1.6 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
N N N 1.2000000 1.300 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
Ga Ga N 1.6136914 0.0 0.0 32.5 0.0 -0.333333333333 0.0 0.0 0.0 0.0 0.0
Ga N N 2.1700000 1.695 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
N Ga Ga 2.1700000 1.695 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
N Ga N 1.6136914 0.0 0.0 32.5 0.0 -0.333333333333 0.0 0.0 0.0 0.0 0.0
N N Ga 1.6136914 0.0 0.0 32.5 0.0 -0.333333333333 0.0 0.0 0.0 0.0 0.0
Ga N Ga 1.6136914 0.0 0.0 32.5 0.0 -0.333333333333 0.0 0.0 0.0 0.0 0.0
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