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=6.5781136007807905 stress="-52.285444456262525 3.4035695524731207 -5.795849068304481 3.4035695524731207 -63.36020668340087 -17.28642082111285 -5.795849068304481 -17.28642082111285 -61.17029888548922" pbc="F F F" Zr -0.14459490 0.11115480 0.11044915 -19.18217354 -30.12415710 -32.99021775 Zr 1.70960170 1.31143450 -0.16166483 15.17987566 10.15243495 -10.19890405 Zr 1.28829595 -0.16490224 1.64041416 16.18909623 -13.69703084 18.57022375 Zr -0.22187219 1.51878885 1.32834452 -12.18679835 33.66875299 24.61889805