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=-3.503308194767292 stress="-12.038846257861394 -0.10971763143836255 -0.02854231385027095 -0.10971763143836255 -11.325794896896717 -0.365458263922517 -0.02854231385027095 -0.365458263922517 -10.310039052719553" pbc="F F F" Ni 0.00082602 0.24624097 0.14302402 -3.85042420 -4.69993651 -5.42784005 Ni 1.35498893 1.61042859 0.20947124 4.38132236 4.34226546 -3.20371493 Ni 1.35512851 0.05280714 1.41333883 3.99312287 -3.78850519 3.77740525 Ni -0.15344509 1.37241235 1.32230844 -4.52402103 4.14617624 4.85414973