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// This is the forcefield file for the Sutton-Chen formulation of the Finnis-Sinclair metallic potential |
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// See Rafii-Tabar and Chen Phil. Mag. Letters. 63(1991), 217-224 for alloy formulation for SC varient |
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+ |
begin Options |
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Name SC |
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DistanceMixingRule Geometric |
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EnergyMixingRule Geometric |
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// energy unit are eV. Convert to kcal/mol |
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EnergyUnitScaling 0.02306054 |
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+ |
end Options |
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|
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< |
begin AtomTypes |
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> |
begin BaseAtomTypes |
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//Name mass(amu) |
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Ni 58.710 |
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Cu 63.550 |
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Au 196.97 |
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Pb 207.2 |
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Al 26.981538 |
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< |
end AtomTypes |
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> |
end BaseAtomTypes |
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|
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begin SCAtomTypes |
