mirror of https://github.com/lammps/lammps.git
13 lines
547 B
Plaintext
13 lines
547 B
Plaintext
# Tersoff parameters for various elements and mixtures
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# multiple entries can be added to this file, LAMMPS reads the ones it needs
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# these entries are in LAMMPS "metal" units:
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# A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
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# other quantities are unitless
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# format of a single entry (one or more lines):
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# element 1, element 2, element 3,
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# lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A
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Si Si Si 1.3258 4.8381 2.0417 0.0000 22.956
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0.33675 1.3258 95.373 3.0 0.2 3.2394 3264.7
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