rc = 6.0 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 attrac(1,1) = 0 repuls(1,1) = 0 Cmin(1,1,1) = 0.49 Cmax(1,1,1) = 2.8 Ec(1,1) = 5.3 re(1,1) = 2.625 zbl(2,2) = 0 nn2(2,2) = 1 attrac(2,2) = 0.05 repuls(2,2) = 0.05 Cmin(2,2,2) = 1.69 Cmax(2,2,2) = 2.8 Ec(2,2) = 3.91 re(2,2) = 2.75 zbl(3,3) = 0 nn2(3,3) = 1 attrac(3,3) = 0 repuls(3,3) = 0 Cmin(3,3,3) = 0.36 Cmax(3,3,3) = 2.8 Ec(3,3) = 4.37 re(3,3) = 3.607 rho0(1) = 1 rho0(2) = 1 rho0(3) = 1 zbl(1,2) = 0 nn2(1,2) = 1 Ec(1,2) = 4.225 re(1,2) = 2.555 alpha(1,2) = 5.80973144296267 attrac(1,2) = 0.025 repuls(1,2) = 0.025 Cmin(1,1,2) = 0.74 Cmin(2,2,1) = 2 Cmin(1,2,1) = 1 Cmin(1,2,2) = 0.64 Cmin(2,1,1) = 1 Cmin(2,1,2) = 0.64 Cmax(1,1,2) = 2.8 Cmax(2,2,1) = 2.8 Cmax(1,2,1) = 2.8 Cmax(1,2,2) = 1.44 Cmax(2,1,1) = 2.8 Cmax(2,1,2) = 1.44 lattce(1,2) = 'b1' zbl(1,3) = 0 nn2(1,3) = 1 Ec(1,3) = 4.115 re(1,3) = 3.02 alpha(1,3) = 4.71798355410466 attrac(1,3) = 0 repuls(1,3) = 0 Cmin(1,1,3) = 1.8 Cmin(3,3,1) = 1.6 Cmin(1,3,1) = 0.09 Cmin(1,3,3) = 0.36 Cmin(3,1,1) = 0.09 Cmin(3,1,3) = 0.36 Cmax(1,1,3) = 2.8 Cmax(3,3,1) = 2.8 Cmax(1,3,1) = 2 Cmax(1,3,3) = 1.44 Cmax(3,1,1) = 2 Cmax(3,1,3) = 1.44 lattce(1,3) = 'b2' zbl(2,3) = 0 nn2(2,3) = 1 Ec(2,3) = 4.885 re(2,3) = 2.91 alpha(2,3) = 5.22372635227819 attrac(2,3) = 0.0375 repuls(2,3) = 0.0375 Cmin(2,2,3) = 0.36 Cmin(3,3,2) = 0.16 Cmin(2,3,2) = 0.8 Cmin(2,3,3) = 0.36 Cmin(3,2,2) = 0.8 Cmin(3,2,3) = 0.36 Cmax(2,2,3) = 2.8 Cmax(3,3,2) = 1.44 Cmax(2,3,2) = 1.44 Cmax(2,3,3) = 1.44 Cmax(3,2,2) = 1.44 Cmax(3,2,3) = 1.44 lattce(2,3) = 'l12' Cmax(1,2,3) = 2.8 Cmax(1,3,2) = 2.063992032 Cmax(2,3,1) = 2.8 Cmin(1,2,3) = 0.942492236 Cmin(1,3,2) = 0.397046505 Cmin(2,3,1) = 1.794427191