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=25.684610876017267 stress="-99.46126877470724 41.80083439018953 4.3645410092685495 41.80083439018953 -84.89342110671393 4.10183033337114 4.3645410092685495 4.10183033337114 -59.971579079093175" pbc="F F F" Zr 0.23171545 0.18190327 -0.17816502 -15.25513997 -14.38764734 -19.18506903 Zr 1.71219253 1.42485375 0.12990665 21.21159481 20.67632217 -18.47901315 Zr 1.28220450 0.28278197 1.56210000 58.74556325 -63.58177197 23.23535241 Zr 0.13362859 1.32702941 1.57034430 -64.70201809 57.29309714 14.42872978