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=9.213421140108505 stress="-47.47765175819933 0.21571846504295422 -1.8311306728811232 0.21571846504295422 -43.08380869668838 1.5974095188067992 -1.8311306728811232 1.5974095188067992 -46.87922058154928" pbc="F F F" Zr -0.14801295 -0.02432459 0.06329927 -18.92836463 -13.01637023 -17.71187578 Zr 1.43745442 1.27846858 -0.00548572 13.94152114 16.63908495 -15.30095348 Zr 1.34126820 -0.15859300 1.31668137 17.61309880 -18.53838981 16.77881915 Zr -0.08013605 1.24396547 1.59073906 -12.62625530 14.91567509 16.23401011