4 Lattice="3.25 0.0 0.0 0.0 3.25 0.0 0.0 0.0 3.25" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=21.018002198998207 pbc="F T T" Zr -0.15859300 -0.18331863 -0.08013605 40 -27.67036519 2.48427427 13.86735302 Zr 1.36896547 1.71573906 0.47508685 40 27.81964151 -1.84332070 -11.69849317 Zr 1.55881326 0.13132919 1.88478669 40 29.49896751 -4.59251092 5.14387336 Zr -0.27407488 1.41004734 1.80865717 40 -29.64824382 3.95155735 -7.31273320