# SW Parameter file for Ga N generated from LAMMPS pair_style sw file `GaN.sw` by lammps_sw_2_kim_sw at 2018-05-26 07:36:37 # GaN potential: A. Bere, and A. Serra, Phil. Mag. 86, 2159(2006) 2 # A(energy) B p q sigma(length) lambda(energy) gamma(length) costheta_0 cutoff(length) Ga Ga 9.5003999999999991e+00 7.1999999999999997e-01 4.0000000000000000e+00 0.0000000000000000e+00 2.1000000000000001e+00 3.9000000000000000e+01 2.5200000000000000e+00 -3.3333333333300003e-01 3.3600000000000003e+00 Ga N 1.7179890000000000e+01 7.1999999999999997e-01 4.0000000000000000e+00 0.0000000000000000e+00 1.6950000000000001e+00 7.0524999999999991e+01 2.0339999999999998e+00 -3.3333333333300003e-01 3.0510000000000002e+00 N N 9.5003999999999991e+00 7.1999999999999997e-01 4.0000000000000000e+00 0.0000000000000000e+00 1.3000000000000000e+00 3.9000000000000000e+01 1.5600000000000001e+00 -3.3333333333300003e-01 2.3400000000000003e+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=Ga, and 2=N. # # 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.