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=12.675822137214343 stress="-3.288401016375662 1.9591399943378063 0.5431671175436202 1.9591399943378063 -3.3538944475580172 -0.11873012998320301 0.5431671175436202 -0.11873012998320301 -1.8464614380418463" free_energy=12.675822137214343 pbc="T T F" Ni 0.27559981 -0.28678287 0.18699668 -60.75319734 63.62591903 -7.08924931 Ni 1.28604778 1.70384132 0.00041025 62.81252649 -57.98661427 -26.82764747 Ni 1.65946794 -0.02519346 1.49188881 7.75432673 4.05176408 11.47086259 Ni 0.31326615 1.49052721 1.51821382 -9.81365588 -9.69106884 22.44603419