4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=15.972684591236076 pbc="F T T" Zr 0.10881314 0.13250256 0.10031152 40 -41.45088505 -8.91573385 -14.87033080 Cu 1.55442580 1.35431870 -0.05486536 29 20.25389489 13.35883892 -9.80225160 Zr 1.63572127 0.05791531 1.23387496 40 37.89071659 -10.18885999 20.00170308 Cu 0.08501927 1.49469708 1.50649231 29 -16.69372643 5.74575491 4.67087932