rc = 5 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) = 4.450 re(1,1) = 2.4900 alpha(1,1) = 5.08421758 repuls(1,1) = 0.05 attrac(1,1) = 0.05 Cmin(1,1,1) = 0.81 Cmax(1,1,1) = 2.80 zbl(2,2) = 0 nn2(2,2) = 1 rho0(2) = 1.000 Ec(2,2) = 5.300 re(2,2) = 2.6250 alpha(2,2) = 4.81370392 repuls(2,2) = 0.00 attrac(2,2) = 0.00 Cmin(2,2,2) = 0.49 Cmax(2,2,2) = 2.80 zbl(3,3) = 0 nn2(3,3) = 0 rho0(3) = 18.00 Ec(3,3) = 2.370 re(3,3) = 0.7410 alpha(3,3) = 2.96000000 repuls(3,3) = 0.00 attrac(3,3) = 0.00 Cmin(3,3,3) = 2.00 Cmax(3,3,3) = 2.80 zbl(1,2) = 0 nn2(1,2) = 1 lattce(1,2) = 'l12' Ec(1,2) = 4.7575 re(1,2) = 2.54800 alpha(1,2) = 5.32204421 repuls(1,2) = 0.0375 attrac(1,2) = 0.0375 Cmin(1,1,2) = 0.81 Cmin(2,2,1) = 1.00 Cmin(1,2,1) = 1.00 Cmin(2,1,1) = 1.00 Cmin(1,2,2) = 1.00 Cmin(2,1,2) = 1.00 Cmax(1,1,2) = 2.80 Cmax(2,2,1) = 1.44 Cmax(1,2,1) = 1.44 Cmax(2,1,1) = 1.44 Cmax(1,2,2) = 1.44 Cmax(2,1,2) = 1.44 zbl(1,3) = 0 nn2(1,3) = 1 lattce(1,3) = 'b1' Ec(1,3) = 3.3700 re(1,3) = 1.86500 alpha(1,3) = 4.32550119 repuls(1,3) = 0.0250 attrac(1,3) = 0.0250 Cmin(1,1,3) = 0.04 Cmin(3,3,1) = 0.49 Cmin(1,3,1) = 1.80 Cmin(3,1,1) = 1.80 Cmin(1,3,3) = 1.338896 Cmin(3,1,3) = 1.338896 Cmax(1,1,3) = 2.00 Cmax(3,3,1) = 2.80 Cmax(1,3,1) = 2.80 Cmax(3,1,1) = 2.80 Cmax(1,3,3) = 2.80 Cmax(3,1,3) = 2.80 zbl(2,3) = 0 nn2(2,3) = 1 lattce(2,3) = 'b1' Ec(2,3) = 3.9550 re(2,3) = 1.97000 alpha(2,3) = 4.68201308 repuls(2,3) = 0.0000 attrac(2,3) = 0.0000 Cmin(2,2,3) = 0.36 Cmin(3,3,2) = 0.16 Cmin(2,3,2) = 0.64 Cmin(3,2,2) = 0.64 Cmin(2,3,3) = 0.36 Cmin(3,2,3) = 0.36 Cmax(2,2,3) = 2.80 Cmax(3,3,2) = 2.80 Cmax(2,3,2) = 2.80 Cmax(3,2,2) = 2.80 Cmax(2,3,3) = 2.80 Cmax(3,2,3) = 2.80 Cmin(1,2,3) = 0.16 Cmin(2,1,3) = 0.16 Cmin(1,3,2) = 1.15 Cmin(3,1,2) = 1.15 Cmin(2,3,1) = 1.15 Cmin(3,2,1) = 1.15 Cmax(1,2,3) = 2.38 Cmax(2,1,3) = 2.38 Cmax(1,3,2) = 2.80 Cmax(3,1,2) = 2.80 Cmax(2,3,1) = 2.80 Cmax(3,2,1) = 2.80