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:Z:I:1:forces:R:3 energy=97.81119142581136 pbc="T F T" Zr 0.00987676 0.11042859 0.20947124 40 -53.29169327 -81.65989971 -62.75211082 Zr 1.05758596 1.55280714 0.07764966 40 43.65814852 78.07081971 -24.30285795 Zr 1.16081220 -0.12758765 1.32230844 40 51.01100137 -76.85677662 44.01650671 Zr -0.10106775 1.22286420 1.43858073 40 -41.37745662 80.44585662 43.03846205