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=-6.598556546390794 stress="-9.067521570073202 0.7888460782844874 4.143769361431961 0.7888460782844874 -7.446308494285838 1.1916449777941187 4.143769361431961 1.1916449777941187 -10.25303899256064" pbc="F F F" Ni 0.27500470 -0.13833825 -0.09601473 -1.29059992 -1.94327581 -1.15289519 Ni 1.28802619 1.72277084 0.18584377 5.72437188 2.79047063 -6.84376192 Ni 1.68362810 0.19581920 1.64685009 2.29458422 -2.56021888 2.00304629 Ni 0.26959405 1.67626233 1.35402479 -6.72835618 1.71302407 5.99361082