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=-6.5042297767557296 stress="-10.39918946405456 0.9025576864985629 1.8888844569381775 0.9025576864985629 -9.179126560067989 1.48884218279433 1.8888844569381775 1.48884218279433 -10.817578637923011" pbc="F F F" Ni -0.04225341 -0.08147842 -0.04210664 -2.20155599 -3.08937978 -1.20940087 Ni 1.38825682 1.27041603 0.19178619 5.04127056 3.92007550 -7.05250941 Ni 1.67895518 0.29140871 1.61455359 2.06507557 -3.91646189 4.60508463 Ni 0.03253581 1.64904689 1.28091226 -4.90479013 3.08576617 3.65682564