attrac(1,2)= -0.1129 repuls(1,2)= 0.2171 alpha(1,2)= 4.793 Cmin(1,1,2)= 0.985 Cmax(1,1,2)= 2.313 Cmin(1,2,1)= 0.385 Cmax(1,2,1)= 1.974 Cmin(1,2,2)= 0.926 Cmax(1,2,2)= 2.718 Cmin(2,2,1)= 1.175 Cmax(2,2,1)= 1.435 rho0(2)= 1.0727 rho0(1)= 1 rc = 6.0 Ec(1,2)= 5.36 re(1,2) = 3.05 lattce(1,2) = l12 attrac(1,1)= 0.105 repuls(1,1)= 0.105 Cmin(1,1,1)= 1.0 Cmax(1,1,1)= 1.9 attrac(2,2)= -0.2073 repuls(2,2)= -0.1876 Cmin(2,2,2)= 0.9666 Cmax(2,2,2)= 2.7994 augt1 = 0 ialloy= 1 bkgd_dyn = 1 emb_lin_neg = 1 nn2(1,1) = 1 nn2(1,2) = 1 nn2(2,2) = 1 delr=0.1