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Stillinger-Weber (SW) potential

The SW potential requires a parameter file in.params.SW of the following format.

unit  2.1678  2.0951
1  1  7.049556277  0.6022245584  4.0  0.0  1.0  1.8
1  1  1  21.0  1.20
  • Line starting with unit defines the units of energy and length.
  • Line with 8 entries is for two-body parameters with the format,

    isp, jsp, Eij, Aij, Bij, pij, qij, cij, rcij
    
  • Line with 5 entries is for three-body parameters with the format,

    isp, jsp, ksp, sij, tij