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=13.067848384060742 stress="-80.40359519677384 0.6695702340736762 -13.6008750861833 0.6695702340736762 -77.48171039190865 -1.1165978964403465 -13.6008750861833 -1.1165978964403465 -71.37380691136948" pbc="F F F" Zr 0.14302402 -0.14501107 0.11042859 -31.24625050 -28.34073753 -39.07981188 Zr 1.70947124 1.35512851 0.05280714 22.01062595 23.15654632 -18.88287646 Zr 1.41333883 -0.15344509 1.37241235 30.72670403 -22.17457767 38.82354598 Zr -0.17769156 1.41049160 1.22286420 -21.49107948 27.35876888 19.13914236