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=-0.5804366340658402 stress="-1.6370550569885154 0.10706989941100006 0.01320782813296256 0.10706989941100006 -1.3345517027545357 -0.04175267347172264 0.01320782813296256 -0.04175267347172264 -1.140902326718177" free_energy=-0.5804366340658402 pbc="T F F" Ni 2.85198705 0.06329927 0.09073906 9.92658738 -16.65826341 -11.34887491 Ni 1.77219963 1.43381326 0.13132919 -11.87240917 13.95376070 -9.69033606 Ni 1.75978669 0.18365717 1.70288723 -9.87422621 -12.20613651 10.36139975 Ni 0.08343331 1.29585403 1.44809454 11.82004800 14.91063922 10.67781121