rc = 3.6 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 nn2(1,1) = 1 attrac(1,1) = 0.05 repuls(1,1) = 0.05 Cmin(1,1,1) = 0.36 Cmax(1,1,1) = 2.8 Ec(1,1) = 4.29 re(1,1) = 2.48 zbl(1,1) = 0 nn2(2,2) = 0 attrac(2,2) = 0 repuls(2,2) = 0 Cmin(2,2,2) = 2 Cmax(2,2,2) = 2.8 Ec(2,2) = 2.37 re(2,2) = 0.741 zbl(2,2) = 0 nn2(1,2) = 1 rho0(1) = 1 rho0(2) =18 Ec(1,2) = 3.166 re(1,2) = 1.835 alpha(1,2) = 5.68667739368399 attrac(1,2) = 0.025 repuls(1,2) = 0.025 Cmin(1,1,2) = 0.36 Cmin(2,2,1) = 2 Cmin(1,2,1) = 2.15 Cmin(1,2,2) = 1.01426406871193 Cmin(2,1,1) = 2.15 Cmin(2,1,2) = 1.01426406871193 Cmax(1,1,2) = 1.44 Cmax(2,2,1) = 2.8 Cmax(1,2,1) = 2.8 Cmax(1,2,2) = 2.8 Cmax(2,1,1) = 2.8 Cmax(2,1,2) = 2.8 lattce(1,2) = 'b1' zbl(1,2) = 0