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=1.0941542927975254 pbc="F T F" Ni 0.29977655 0.35633416 -0.04539058 28 -27.51549075 -5.18411914 -24.97976131 Ni 1.57327937 1.67000847 0.12961200 28 16.70641110 6.52458472 -13.65056824 Ni 1.37425859 0.15720406 1.26564846 28 19.26320443 0.20038219 32.67802998 Ni -0.11492400 1.79768454 1.48273691 28 -8.45412479 -1.54084776 5.95229956