rc = 4.0 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 rho0(1) = 1.0000 Ec(1,1) = 2.9000 re(1,1) = 3.0030 alpha(1,1) = 4.42109342 repuls(1,1) = 0.0970 attrac(1,1) = 0.0970 Cmin(1,1,1) = 1.4000 Cmax(1,1,1) = 2.8000 zbl(2,2) = 0 nn2(2,2) = 1 rho0(2) = 1.0000 Ec(2,2) = 2.5100 re(2,2) = 3.3280 alpha(2,2) = 5.02602789 repuls(2,2) = 0.0500 attrac(2,2) = 0.0500 Cmin(2,2,2) = 1.5000 Cmax(2,2,2) = 2.8000 zbl(3,3) = 0 nn2(3,3) = 1 rho0(3) = 27.0000 Ec(3,3) = 4.8800 re(3,3) = 1.1000 alpha(3,3) = 3.71990000 repuls(3,3) = 0.0000 attrac(3,3) = 0.0000 Cmin(3,3,3) = 2.0000 Cmax(3,3,3) = 2.8000 zbl(1,2) = 0 nn2(1,2) = 1 lattce(1,2) = 'b1' Ec(1,2) = 2.8405 re(1,2) = 2.8276 alpha(1,2) = 3.87486077 repuls(1,2) = 0.0740 attrac(1,2) = 0.0740 Cmin(1,1,2) = 1.4000 Cmin(2,2,1) = 0.7800 Cmin(1,2,1) = 1.4500 Cmin(2,1,1) = 1.4500 Cmin(1,2,2) = 2.3000 Cmin(2,1,2) = 2.3000 Cmax(1,1,2) = 2.8000 Cmax(2,2,1) = 2.8000 Cmax(1,2,1) = 2.8000 Cmax(2,1,1) = 2.8000 Cmax(1,2,2) = 2.8000 Cmax(2,1,2) = 2.8000 zbl(1,3) = 0 nn2(1,3) = 1 lattce(1,3) = 'dia' Ec(1,3) = 3.3300 re(1,3) = 1.9400 alpha(1,3) = 6.15836280 repuls(1,3) = 0.0000 attrac(1,3) = 0.0000 Cmin(1,1,3) = 1.4000 Cmin(3,3,1) = 2.0000 Cmin(1,3,1) = 1.6800 Cmin(3,1,1) = 1.6800 Cmin(1,3,3) = 2.0000 Cmin(3,1,3) = 2.0000 Cmax(1,1,3) = 2.8000 Cmax(3,3,1) = 2.8000 Cmax(1,3,1) = 2.8000 Cmax(3,1,1) = 2.8000 Cmax(1,3,3) = 2.8000 Cmax(3,1,3) = 2.8000 zbl(2,3) = 0 nn2(2,3) = 1 lattce(2,3) = 'dia' Ec(2,3) = 3.53 re(2,3) = 2.1564 alpha(2,3) = 7.64979610 repuls(2,3) = 0.0000 attrac(2,3) = 0.0000 Cmin(2,2,3) = 1.5000 Cmin(3,3,2) = 2.0000 Cmin(2,3,2) = 1.7400 Cmin(3,2,2) = 1.7400 Cmin(2,3,3) = 2.0000 Cmin(3,2,3) = 2.0000 Cmax(2,2,3) = 2.8000 Cmax(3,3,2) = 2.8000 Cmax(2,3,2) = 2.8000 Cmax(3,2,2) = 2.8000 Cmax(2,3,3) = 2.8000 Cmax(3,2,3) = 2.8000 Cmin(1,2,3) = 1.4500 Cmin(2,1,3) = 1.4500 Cmin(1,3,2) = 1.7100 Cmin(3,1,2) = 1.7100 Cmin(2,3,1) = 1.7100 Cmin(3,2,1) = 1.7100 Cmax(1,2,3) = 2.8000 Cmax(2,1,3) = 2.8000 Cmax(1,3,2) = 2.8000 Cmax(3,1,2) = 2.8000 Cmax(2,3,1) = 2.8000 Cmax(3,2,1) = 2.8000