rc = 4.8 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 rho0(1) = 1.0000 Ec(1,1) = 1.1130 re(1,1) = 3.6330 alpha(1,1) = 3.89922928 repuls(1,1) = 0.0700 attrac(1,1) = 0.0700 Cmin(1,1,1) = 0.4000 Cmax(1,1,1) = 2.8000