rc = 4.5 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 rho0(1) = 1.880 Ec(1,1) = 3.850 re(1,1) = 2.4500 alpha(1,1) = 5.03671971 repuls(1,1) = 0.00 attrac(1,1) = 0.00 Cmin(1,1,1) = 1.41 Cmax(1,1,1) = 2.80