Cmax(1,1,1)=2.900000 Cmin(1,1,1)=0.490000 Cmax(2,2,2)=2.800000 Cmin(2,2,2)=0.490000 repuls(2,2)=0.100000 Cmax(3,3,3)=2.500000 Cmin(3,3,3)=1.200000 repuls(3,3)=0.100000 attrac(3,3)=0.100000 Cmin(1,1,2)=0.490000 Cmin(2,2,1)=0.490000 Cmin(1,2,1)=0.360000 Cmin(1,2,2)=0.360000 Cmax(3,3,1)=2.000000 Cmin(3,3,1)=0.300000 Cmin(1,3,3)=1.000000 Cmin(1,1,3)=1.0 nn2(1,1)=1.000000 nn2(2,2)=1.000000 nn2(3,3)=1.000000 nn2(1,2)=1.000000 nn2(1,3)=1.000000 nn2(2,3)=1.000000 rho0(2)=1.175000 lattce(1,2)='l12' Ec(1,2)=2.067960 re(1,2)=3.096460 alpha(1,2)=5.016740 rho0(3)=0.840000 lattce(1,3)='l12' Ec(1,3)=1.470000 re(1,3)=3.040000 alpha(1,3)=5.710000 lattce(2,3)='l12' Ec(2,3)=2.84 re(2,3)=2.856 alpha(2,3)=4.57 rc=6.000000 ialloy=0.000000 augt1=0.000000 delr=0.100000 emb_lin_neg=1.000000 bkgd_dyn=1.000000 repuls(2,3)=0.075000 Cmin(2,2,3)=0.360000 Cmin(3,3,2)=2.000000 attrac(2,3)=0.750000