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=-1.4568339981016718 stress="-1.4134839273414377 0.10190920624770668 0.0263227220602072 0.10190920624770668 -1.4513313745919385 0.009051942828226387 0.0263227220602072 0.009051942828226387 -1.2126898124878445" free_energy=-1.4568339981016718 pbc="T F F" Ni 2.85198705 0.06329927 0.09073906 11.15825963 -17.23162411 -11.32570177 Ni 1.77219963 1.43381326 0.13132919 -13.19319194 15.19060648 -10.98356920 Ni 1.75978669 0.18365717 1.70288723 -11.52830065 -14.25228383 11.40865062 Ni 0.08343331 1.29585403 1.44809454 13.56323295 16.29330146 10.90062035