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=38.198856240387734 stress="-127.945539361993 25.435330702304505 4.505441373223178 25.435330702304505 -107.42382375235098 2.9437888170993887 4.505441373223178 2.9437888170993887 -110.56962648696836" pbc="F F F" Zr 0.23171545 0.18190327 -0.17816502 -29.69841988 -27.61863098 -38.05534625 Zr 1.71219253 1.42485375 0.12990665 38.83132951 35.96536142 -30.80521865 Zr 1.28220450 0.28278197 1.56210000 60.56267326 -69.21608538 41.66489568 Zr 0.13362859 1.32702941 1.57034430 -69.69558289 60.86935494 27.19566921