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=13.568962715440879 stress="-2.1489368888950424 -0.0748790184740348 0.07805718928646703 -0.0748790184740348 -2.207555464869885 -0.17520296331295185 0.07805718928646703 -0.17520296331295185 -2.657483800254433" free_energy=13.568962715440879 pbc="T F T" Ni 0.03848316 0.19178619 0.17895518 11.74660538 -21.95505901 -12.53646132 Ni 1.79140871 1.61455359 0.03253581 -16.88409249 19.39949630 -3.08004090 Ni 1.64904689 0.10609294 1.46603997 -16.65147828 -23.95407992 7.01836449 Ni -0.19401975 1.32157598 1.51361598 21.78896540 26.50964263 8.59813773