4 Lattice="3.25 0.0 0.0 0.0 3.25 0.0 0.0 0.0 3.25" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=578.4346759373442 pbc="T T T" Zr -0.09416457 -0.24440284 -0.29821528 40 -285.50505653 -188.86488239 -281.81453396 Zr 1.11124826 0.58540972 -0.11909813 40 548.51858226 569.84409071 -692.23872229 Zr 0.67386659 0.05835534 0.55895637 40 144.82328960 -786.33732973 649.31918334 Zr -0.01806569 0.73251865 1.01320203 40 -407.83681534 405.35812141 324.73407290