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:Z:I:1:forces:R:3 energy=81.92272717607099 pbc="T F F" Zr 0.03277713 -0.10028026 -0.12633864 40 -25.88705109 -49.39066170 -46.86734116 Zr 1.23794100 1.28219307 0.21813893 40 64.38446546 72.79459245 -112.13485403 Zr 1.18377627 0.19410236 1.33096497 40 39.83902093 -97.12679663 85.54481655 Zr 0.10787758 1.43300593 1.22002482 40 -78.33643530 73.72286588 73.45737865