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=33.8049972172974 pbc="F T F" Zr -0.17174679 0.13102478 0.09995250 40 -30.46435150 3.45268032 -41.03639459 Zr 1.76120756 1.29423447 0.25226748 40 40.16286293 10.46974911 -44.66410718 Zr 1.46431997 0.04396501 1.57236142 40 34.43933384 -1.60914293 47.09687261 Zr 0.20379337 1.73854596 1.26922180 40 -44.13784527 -12.31328649 38.60362915