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=-16.06444146850796 stress="-0.6671307716149627 0.7267599580731267 0.5268480963243557 0.7267599580731267 -1.5600906905217495 -0.023154542204307158 0.5268480963243557 -0.023154542204307158 -4.384307656783578" free_energy=-16.06444146850796 pbc="F F T" Ni 0.20070203 0.49134363 0.01001192 1.70618950 -23.29890967 10.74758833 Ni 1.48453339 1.60170120 -0.12206635 2.27174667 -0.51841688 -4.53479471 Ni 1.21904386 0.00082602 1.74624097 13.81624313 -16.34098394 -8.14234847 Ni 0.14302402 1.35498893 1.61042859 -17.79417930 40.15831049 1.92955485