rc = 4.8 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) = 4.410 re(1,1) = 2.5000 alpha(1,1) = 5.23561475 repuls(1,1) = 0.00 attrac(1,1) = 0.00 Cmin(1,1,1) = 0.49 Cmax(1,1,1) = 2.00 zbl(2,2) = 0 nn2(2,2) = 1 rho0(2) = 1.000 Ec(2,2) = 4.870 re(2,2) = 2.9200 alpha(2,2) = 4.71945663 repuls(2,2) = 0.00 attrac(2,2) = 0.00 Cmin(2,2,2) = 1.00 Cmax(2,2,2) = 1.44 zbl(1,2) = 0 nn2(1,2) = 1 lattce(1,2) = 'b2' Ec(1,2) = 5.0680 re(1,2) = 2.53000 alpha(1,2) = 4.93479517 repuls(1,2) = 0.0000 attrac(1,2) = 0.0000 Cmin(1,1,2) = 0.49 Cmin(2,2,1) = 1.00 Cmin(1,2,1) = 0.49 Cmin(2,1,1) = 0.49 Cmin(1,2,2) = 0.72 Cmin(2,1,2) = 0.72 Cmax(1,1,2) = 2.00 Cmax(2,2,1) = 2.80 Cmax(1,2,1) = 1.44 Cmax(2,1,1) = 1.44 Cmax(1,2,2) = 2.80 Cmax(2,1,2) = 2.80