rc=5.000000 delr= 0.100000 Cmin(1,1,1)=0.490000 alpha(1,1)=4.610000 re(1,1)=2.860000 attrac(1,1)=0.000000 repuls(1,1)=0.000000 rho0(1)=1.000000 nn2(1,1)=1.000000 Cmax(1,1,1)=2.800000 Cmin(2,2,2)=1.210000 Cmax(2,2,2)=2.800000 alpha(2,2)=5.200000 re(2,2)=2.560000 nn2(2,2)=1.000000 attrac(2,2)=0.000000 repuls(2,2)=0.000000 rho0(2)=1.000000 Cmin(1,1,2)=0.000 Cmin(1,2,1)=0.5000 Cmin(1,2,2)=0.9000 Cmin(2,1,2)=1.000 Cmax(1,1,2)=2.8000 Cmax(1,2,1)=2.8000 Cmax(1,2,2)=2.8000 Cmax(2,1,2)=2.8000 Ec(1,1)=3.360000 Ec(2,2)=3.540000 delta(1,2)=0.20 alpha(1,2)= 4.65 re(1,2)=2.53 nn2(1,2)=1.000000 attrac(1,2)=0.100000 repuls(1,2)=0.100000 lattce(1,1)='fcc' lattce(2,2)='fcc' lattce(1,2)='b1'