rc = 3.6 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 attrac(1,1) = 0.05 repuls(1,1) = 0.05 Cmin(1,1,1) = 0.16 Cmax(1,1,1) = 2.8 Ec(1,1) = 1.65 re(1,1) = 3.02