2008-01-30 14:13:26 +08:00
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# GaN potential: A. Bere, and A. Serra, Phil. Mag. 86, 2159(2006)
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2008-02-01 00:12:54 +08:00
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# note that the parameters for this literature potential are pairwise
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# so that there are some flexibility in the way the
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# parameters can be entered. As one way, we assume that
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# lambda_ijk is equal to lambda_ik and eps_ijk is
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# equal to sqrt(lambda_ij*eps_ij*lambda_ik*eps_ik)/lambda_ik,
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# and all other parameters in the ijk line are for ik.
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2008-02-01 00:28:56 +08:00
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# These entries are in LAMMPS "metal" units:
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# epsilon = eV; sigma = Angstroms
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# other quantities are unitless
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2008-02-01 00:12:54 +08:00
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#
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# eps sigma a lambda gamma cos(theta) A B p q tol
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#
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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
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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
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Ga Ga N 1.6136914 1.695 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
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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
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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
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N Ga N 1.6136914 1.300 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
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N N Ga 1.6136914 1.695 1.8 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
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Ga N Ga 1.6136914 2.100 1.6 32.5 1.2 -0.333333333333 7.917 0.72 4.0 0.0 0.0
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