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=33.804422597437004 pbc="F T F" Zr -0.17174679 0.13102478 0.09995250 40 -30.46351877 3.45264859 -41.03522151 Zr 1.76120756 1.29423447 0.25226748 40 40.16163052 10.46974951 -44.66302384 Zr 1.46431997 0.04396501 1.57236142 40 34.43797077 -1.60917957 47.09577763 Zr 0.20379337 1.73854596 1.26922180 40 -44.13608252 -12.31321854 38.60246772