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=-6.570277237589748 pbc="T F F" Ni 0.13250256 0.10031152 0.05442580 28 -6.37532983 -8.70041092 -4.03642991 Al 1.35431870 1.28011711 0.13572127 13 5.95940458 8.96134957 -3.98884693 Ni 1.48657851 -0.26612504 1.58501927 28 1.67944552 -3.46988730 3.38208276 Al 0.25486545 1.50693356 1.66501753 13 -1.26352027 3.20894864 4.64319409