rc = 5.2 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 rho0(1) = 1.000 Ec(1,1) = 6.360 re(1,1) = 3.2000 alpha(1,1) = 4.45019083 repuls(1,1) = 0.00 attrac(1,1) = 0.00 Cmin(1,1,1) = 1.00 Cmax(1,1,1) = 1.44