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=0.6756440177317355 stress="-16.950519951390234 -0.9886923452787357 0.588812192876544 -0.9886923452787357 -12.873082440340681 -1.5823206895366209 0.588812192876544 -1.5823206895366209 -20.71587706086384" pbc="F F F" Ni 0.23171545 0.18190327 -0.17816502 -5.42457294 -5.28075460 -7.93784068 Ni 1.71219253 1.42485375 0.12990665 6.96115930 5.34621520 -4.78470197 Ni 1.28220450 0.28278197 1.56210000 5.65392690 -6.03588970 6.74116845 Ni 0.13362859 1.32702941 1.57034430 -7.19051326 5.97042911 5.98137419