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=14.955837086704454 stress="-2.0635935639302794 0.12602154200679747 0.018464926168868818 0.12602154200679747 -1.9147457759090314 -0.02059315720112796 0.018464926168868818 -0.02059315720112796 -1.7791485057314536" free_energy=14.955837086704454 pbc="T F F" Ni -0.14801295 0.06329927 0.09073906 11.77248558 -23.24180643 -16.99416528 Ni 1.77219963 1.43381326 0.13132919 -14.02590893 20.00571992 -15.79468212 Ni 1.75978669 0.18365717 1.70288723 -11.72693027 -18.24439875 16.37408144 Ni 0.08343331 1.29585403 1.44809454 13.98035362 21.48048527 16.41476597