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=-5.10100116924 stress="-1.6419933299601814 0.12388331825933127 0.27865240994129703 0.12388331825933127 -1.4789593494244457 0.1767516234355916 0.27865240994129703 0.1767516234355916 -1.6121435799403723" pbc="F F F" Ni -0.04225341 -0.08147842 -0.04210664 -1.77490858 -2.55683601 -0.98347764 Ni 1.38825682 1.27041603 0.19178619 3.91644888 3.00111029 -5.10042745 Ni 1.67895518 0.29140871 1.61455359 1.62089413 -2.95905411 3.31916126 Ni 0.03253581 1.64904689 1.28091226 -3.76243442 2.51477983 2.76474382