rc = 4.5 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) = 3.9100 re(1,1) = 2.7500 alpha(1,1) = 6.42646478 repuls(1,1) = 0.0500 attrac(1,1) = 0.0500 Cmin(1,1,1) = 1.6900 Cmax(1,1,1) = 2.8000 zbl(2,2) = 0 nn2(2,2) = 1 rho0(2) = 6.0000 Ec(2,2) = 7.3700 re(2,2) = 1.5400 alpha(2,2) = 4.36519992 repuls(2,2) = 0.0000 attrac(2,2) = 0.0000 Cmin(2,2,2) = 1.4100 Cmax(2,2,2) = 2.8000 zbl(1,2) = 0 nn2(1,2) = 1 lattce(1,2) = 'dia' Ec(1,2) = 5.6250 re(1,2) = 2.1300 alpha(1,2) = 6.51126557 repuls(1,2) = -0.0100 attrac(1,2) = 0.0400 Cmin(1,1,2) = 1.8000 Cmin(2,2,1) = 0.0300 Cmin(1,2,1) = 0.3700 Cmin(2,1,1) = 0.3700 Cmin(1,2,2) = 1.0900 Cmin(2,1,2) = 1.0900 Cmax(1,1,2) = 2.6300 Cmax(2,2,1) = 1.4700 Cmax(1,2,1) = 2.7500 Cmax(2,1,1) = 2.7500 Cmax(1,2,2) = 1.7900 Cmax(2,1,2) = 1.7900