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=11.801845790828725 pbc="T F F" Ni 0.35970344 -0.08739347 -0.01941117 28 -9.15594379 -7.94742950 -14.07048675 Ni 1.26064517 1.60983117 -0.00983249 28 5.86666087 6.93206584 -6.95312387 Al 1.49188881 0.06482696 1.40411591 13 13.99476113 -53.65055635 9.02100705 Al 0.01821382 1.20575425 1.46963223 13 -10.70547821 54.66592001 12.00260356