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| 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" |
| 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 | |
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| + | Added lines |
| < | Changed lines |
| > | Changed lines |