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:forces:R:3 energy=13.770460498691463 stress="-66.89970698876698 3.5908396353997247 -49.08133876255518 3.5908396353997247 -35.76912154815743 -14.176053114230918 -49.08133876255518 -14.176053114230918 -79.97768038218088" pbc="F F F" Al 0.19877714 0.10881314 0.13250256 -39.00911123 -19.04006573 -51.24982356 Ni 1.52897471 1.55398455 -0.10254164 4.67051638 6.99070529 -4.33653670 Al 1.28011711 0.39552481 1.55791531 52.81619322 -8.28265090 51.46183052 Ni 0.00531388 1.48797265 1.49121585 -18.47759838 20.33201134 4.12452975