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:forces:R:3 energy=-0.17450912002693952 stress="-46.39017331442267 8.2765614068036 9.874238451599545 8.2765614068036 -57.194448379699736 0.8050945793099658 9.874238451599545 0.8050945793099658 -43.57918365489296" pbc="F F F" Zr -0.27997518 -0.22303573 -0.08338442 -11.18018979 -5.25766644 -11.11806084 Zr 1.46512192 1.72586561 0.29391194 13.79342911 17.14543325 -19.07749440 Zr 1.22614529 0.02103145 1.27761356 22.53674213 -31.32617807 9.06384885 Zr 0.18220204 1.39362841 1.73573857 -25.14998146 19.43841126 21.13170639