rc = 6.0 delr = 0.1 Ec(1,1) = 3.89 re(1,1) = 3.31 Cmax(1,1,1) = 2.8 Cmin(1,1,1) = 0.49 nn2(1,1) = 1 attrac(1,1) = 0 repuls(1,1) = 0 zbl(1,1) = 0 theta(1,1) = 180 gsmooth_factor = 99 augt1 = 1 ialloy = 0 mixture_ref_t = 0 erose_form = 2 emb_lin_neg = 0 bkgd_dyn = 0