4 Lattice="3.5 0.0 0.0 0.0 3.5 0.0 0.0 0.0 3.5" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=367.25078198500233 pbc="T T T" Zr -0.09416457 -0.24440284 -0.29821528 40 -202.76348086 -126.71503607 -198.09400969 Zr 1.17374826 0.64790972 -0.11909813 40 357.53878690 395.21977435 -471.19412672 Zr 0.73636659 0.05835534 0.62145637 40 126.62009956 -545.83194964 451.52684615 Zr -0.01806569 0.79501865 1.07570203 40 -281.39540561 277.32721136 217.76129027