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=44.51220535954472 stress="-129.09528614442354 9.875734057215215 -17.626700725893762 9.875734057215215 -108.13979841028848 -7.961890529905375 -17.626700725893762 -7.961890529905375 -129.12101105204158" pbc="F F F" Zr 0.19178619 0.17895518 0.29140871 -52.03000805 -45.80729439 -79.74074655 Zr 1.61455359 1.53253581 0.14904689 31.50522719 36.57286839 -25.43364500 Zr 1.28091226 0.10609294 1.46603997 62.50407317 -39.55960165 63.99601204 Zr -0.19401975 1.32157598 1.51361598 -41.97929230 48.79402765 41.17837952