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=26.539758794320896 stress="-3.0650517627452922 -0.07279196222833494 -0.5741243719585951 -0.07279196222833494 -3.091894857276396 0.46318101357789854 -0.5741243719585951 0.46318101357789854 -4.09259520878544" pbc="F F T" Zr 0.24122900 0.02201293 -0.18365652 -24.67029419 -38.09631364 12.02385638 Zr 1.42534241 1.48566276 -0.18556893 31.90234883 32.44351595 12.06929141 Zr 1.54376171 0.19273990 1.30538954 29.26750154 -23.74414735 -2.22573384 Zr 0.05332204 1.38436473 1.73110688 -36.49955618 29.39694505 -21.86741394