# LAMMPS CH.meam file containing the MEAM CH parameters for saturated # hydrocarbons developed by Sasan Nouranian. # Reference: Physical Chemistry Chemical Physics, 16(13) (2014):6233-6249. # This file is used together with the library.meam file. # Contact: nouranian@gmail.com (Dr. Sasan Nouranian) rc = 3.000000 delta(1,2) = 2.120000 re(1,2) = 1.020000 delr = 0.1 alpha(1,2) = 3.200000 lattce(1,2) = dim rho0(1) = 1.000000 rho0(2) = 1.800000 ialloy = 1 emb_lin_neg = 1 bkgd_dyn = 1 erose_form = 0 zbl(1,1) = -100 zbl(1,2) = -100 zbl(2,2) = -100 augt1 = 0 attrac(1,1) = 0.000000 repuls(1,1) = 0.000000 attrac(1,2) = 0.050000 repuls(1,2) = 0.050000 attrac(2,2) = 0.000000 repuls(2,2) = 0.050000 Cmin(1,1,1) = 2.000000 Cmax(1,1,1) = 2.800000 Cmin(1,1,2) = 2.000000 Cmax(1,1,2) = 2.800000 Cmin(1,2,1) = 0.445000 Cmax(1,2,1) = 2.800000 Cmin(1,2,2) = 1.500000 Cmax(1,2,2) = 2.000000 Cmin(2,2,1) = 0.520000 Cmax(2,2,1) = 2.200000 Cmin(2,2,2) = 0.750000 Cmax(2,2,2) = 2.800000