# SW Parameter file for Cd Te generated from LAMMPS pair_style sw file `CdTe.sw` by lammps_sw_2_kim_sw at 2018-05-25 20:59:46 # # CdTe Stillinger-Weber potential: Z. Q. Wang, D. Stroud, # and A. J. Markworth, Phys. Rev. B, 40, 3129(1989). 2 # A(energy) B p q sigma(length) lambda(energy) gamma(length) costheta_0 cutoff(length) Cd Cd 5.3277780000000003e+00 8.8070000000000004e-01 4.0000000000000000e+00 0.0000000000000000e+00 2.5099999999999998e+00 2.5750000000000000e+01 3.0119999999999996e+00 -3.3333333333300003e-01 4.5179999999999998e+00 Cd Te 7.2610880000000000e+00 6.0219999999999996e-01 4.0000000000000000e+00 0.0000000000000000e+00 2.5099999999999998e+00 2.5750000000000000e+01 3.0119999999999996e+00 -3.3333333333300003e-01 4.5179999999999998e+00 Te Te 8.3857450000000000e+00 6.6710000000000003e-01 4.0000000000000000e+00 0.0000000000000000e+00 2.5099999999999998e+00 2.5750000000000000e+01 3.0119999999999996e+00 -3.3333333333300003e-01 4.5179999999999998e+00 # First line, number of species # # Each line lists the following 9 parameters for the interaction between two species: # # A(energy) B p q sigma(length) lambda(energy) gamma(length) costheta_0 cutoff(length) # # In the following order: # (1, 1) # (1, 2) # (2, 2) # where 1=Cd, and 2=Te. # # Note that the parameters in this file are not the standard Stillinger-Weber # potential parameters. Four of them are redefined according to: # # A := A*epsilon # lambda := lambda*epsilon # gamma := gamma*sigma # cutoff := a*sigma # # where the left-hand side are the parameters used here, and the right-hand # side are the standard Stillinger-Weber potential parameters.