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=-7.698090748836114 stress="-0.9649880734617261 0.04990697158424776 -0.04132196020100559 0.04990697158424776 -0.8531521328382368 -0.07964144866024245 -0.04132196020100559 -0.07964144866024245 -1.116561498201174" pbc="T T T" Ni -0.14459490 0.11115480 0.11044915 3.49708741 -7.02345155 -1.42509779 Ni 1.70960170 1.31143450 -0.16166483 -5.83065081 6.28461477 1.34627771 Ni 1.28829595 0.03769167 1.64041416 -1.37636395 -5.83603743 -1.78554671 Ni -0.22187219 1.22744829 1.32834452 3.70992735 6.57487422 1.86436678