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=-8.27817576868 stress="-0.8840889938903133 0.8355935391813555 0.4098664107695732 0.8355935391813555 -0.7481639647275659 0.43839189830103265 0.4098664107695732 0.43839189830103265 -0.3493418866571682" pbc="F F F" Ni -0.29134056 -0.13449789 -0.21197381 1.00955583 0.62528618 0.73875706 Ni 1.71484213 1.64359035 0.18362810 0.64407434 1.14778158 -2.51955737 Ni 1.69581920 0.14685009 1.68811563 3.60574092 -4.70043092 0.94849078 Ni 0.17626233 1.35402479 1.66785677 -5.25937109 2.92736316 0.83230953