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=-5.787849745634375 stress="-0.5823742219809273 -0.014786518284944003 0.1364978721195776 -0.014786518284944003 -0.7415269306792011 -0.18486886264684751 0.1364978721195776 -0.18486886264684751 -0.6539167351187564" free_energy=-5.787849745634375 pbc="F F T" Ni 0.03926819 0.23010044 0.09566688 -3.83171207 -9.12179609 -5.34072559 Ni 1.62528982 1.62033173 0.17828948 6.65226604 5.11338858 -4.10699049 Ni 1.71182891 0.07255377 1.51129231 3.00028805 -4.47479943 1.81281033 Ni 0.01258782 1.66911338 1.30454100 -5.82084202 8.48320694 7.63490575