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=0.4507956508873717 stress="-1.841082870051776 -0.5824812716763992 0.54495105318725 -0.5824812716763992 -2.4388177890022242 -0.4994904301794631 0.54495105318725 -0.4994904301794631 -1.8674887832425788" free_energy=0.4507956508873717 pbc="F T T" Ni 0.28278197 0.06210000 0.13362859 -27.55085341 -35.14609954 -13.79815179 Ni 1.32702941 1.31183065 0.04852473 34.94978951 23.01694384 -7.47724103 Ni 1.55473499 2.91561068 1.63661615 8.26530120 -4.30499143 -2.24223387 Ni 0.11041876 1.26735611 1.33533445 -15.66423730 16.43414713 23.51762670