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=77.6720077289 pbc="F T F" Zr 0.22747876 -0.24837367 0.54260061 40 -60.24759881 34.51678575 -56.72966490 Zr 1.55210001 1.44791509 0.45884013 40 50.49563878 -3.22551607 -49.78100298 Zr 1.50736779 0.00505582 1.23594820 40 56.30783886 4.91926017 45.28846097 Zr 0.31714149 1.58317833 1.34376228 40 -46.55587882 -36.21052985 61.22220691