rc = 4.5 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 attrac(1,1) = 0.05 repuls(1,1) = 0.05 Cmin(1,1,1) = 1.69 Cmax(1,1,1) = 2.8 Ec(1,1) = 3.91 re(1,1) = 2.75 zbl(2,2) = 0 nn2(2,2) = 1 attrac(2,2) = 0 repuls(2,2) = 0 Cmin(2,2,2) = 1 Cmax(2,2,2) = 1.44 Ec(2,2) = 4.87 re(2,2) = 2.92 zbl(1,2) = 0 nn2(1,2) = 1 rho0(1) = 1 rho0(2) = 1 Ec(1,2) = 5.1236 re(1,2) = 2.7266 alpha(1,2) = 5.19235176042731 attrac(1,2) = 0.025 repuls(1,2) = 0.025 Cmin(1,1,2) = 1.09 Cmin(2,2,1) = 0.29 Cmin(1,2,1) = 1.47 Cmin(1,2,2) = 0.17 Cmin(2,1,1) = 1.47 Cmin(2,1,2) = 0.17 Cmax(1,1,2) = 1.78 Cmax(2,2,1) = 2.2 Cmax(1,2,1) = 2.21 Cmax(1,2,2) = 1.66 Cmax(2,1,1) = 2.21 Cmax(2,1,2) = 1.66 lattce(1,2) = 'b2'