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=18.929437851825387 stress="-2.1765296401820695 -0.41530483254749495 -0.18736532743181694 -0.41530483254749495 -2.561448802929079 0.23338251414946617 -0.18736532743181694 0.23338251414946617 -1.9713511750514294" free_energy=18.929437851825387 pbc="F T F" Ni 0.04852473 0.01848935 0.13661615 -28.04496462 -2.56807826 -23.54887242 Ni 1.40480033 1.28303047 0.11041876 18.22103957 6.55019558 -19.59402396 Ni 1.26735611 -0.16466555 1.24148635 28.51601163 2.09868709 25.40716546 Ni 0.08611608 1.53369179 1.52598936 -18.69208658 -6.08080442 17.73573092