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1 | // This is the forcefield file for the Sutton-Chen formulation of the Finnis-Sinclair metallic potential | |
2 | // See Rafii-Tabar and Chen Phil. Mag. Letters. 63(1991), 217-224 for alloy formulation for SC varient | |
3 | ||
4 | + | begin Options |
5 | + | Name "SC" |
6 | + | DistanceMixingRule "Geometric" |
7 | + | EnergyMixingRule "Geometric" |
8 | + | // energy unit are eV. Convert to kcal/mol |
9 | + | EnergyUnitScaling 0.02306054 |
10 | + | end Options |
11 | ||
12 | begin AtomTypes | |
13 | //Name mass(amu) |
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