rc=5.000000 delr=0.100000 Cmax(1,1,1)=2.203000 Cmin(1,1,1)=0.483100 repuls(1,1)=0.012000 nn2(1,1)=1.000000 augt1=0.000000 ialloy=1.000000 emb_lin_neg=1.000000 bkgd_dyn=1.000000 Cmax(2,2,2)=2.400000 Cmin(2,2,2)=0.190000 repuls(2,2)=0.032000 nn2(2,2)=1.000000 rho0(2)=0.600000 attrac(3,3)=0.120000 rho0(3)=1.400000 nn2(3,3)=1.000000 Cmin(4,4,4)=1.950000 attrac(4,4)=0.120000 rho0(4)=4.400000 nn2(4,4)=1.000000 nn2(1,2)=1.000000 Cmin(1,1,2)=2.050000 Cmin(2,2,1)=2.000000 Cmax(1,1,2)=2.820000 Cmax(2,2,1)=2.800000 Ec(1,2)=3.002000 re(1,2)=2.790000 alpha(1,2)=9.330000 lattce(1,2)='l12' nn2(1,3)=1.000000 lattce(1,3)='b1' repuls(1,3)=0.500000 Cmin(1,1,3)=1.000000 Cmax(1,1,3)=1.980000 Ec(1,3)=4.220000 alpha(1,3)=5.200000 re(1,3)=2.370000 nn2(1,4)=1.000000 lattce(1,4)='b1' Ec(1,4)=5.285000 alpha(1,4)=5.450000 re(1,4)=1.995000 repuls(1,4)=0.008000 Cmin(1,1,4)=1.600000 Cmin(4,4,1)=0.700000 Cmax(1,1,4)=2.700000 nn2(2,3)=1.000000 lattce(2,3)=l12 repuls(2,3)=0.000000 re(2,3)=4.654000 alpha(2,3)=6.800000 Ec(2,3)=0.340000 Cmin(2,2,3)=2.000000 Cmin(3,3,2)=2.000000 Cmin(2,3,2)=2.000000 Cmin(2,3,3)=2.000000 Cmax(2,2,3)=2.800000 Cmax(3,3,2)=2.800000 Cmax(2,3,2)=2.800000 Cmax(2,3,3)=2.800000 nn2(2,4)=1.000000 lattce(2,4)='l12' repuls(2,4)=0.040000 Ec(2,4)=3.382000 alpha(2,4)=7.200000 re(2,4)=2.393000 Cmin(2,2,4)=1.000000 Cmin(4,4,2)=0.000000 Cmax(2,2,4)=2.500000 nn2(3,4)=1.000000 lattce(3,4)='dia' re(3,4)=1.887760 Ec(3,4)=0.340000 alpha(3,4)=4.540000 Cmin(1,2,4)=0.290000 Cmax(1,2,4)=1.200000 Cmin(1,3,4)=0.000000 Cmax(1,3,4)=1.200000