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=56.205954345459965 pbc="F T T" Zr -0.10028026 -0.16121672 -0.03902326 40 -56.79611304 8.17163213 -12.69685662 Zr 1.28219307 1.71813893 -0.23283931 40 53.04589698 -37.12103638 6.29148740 Zr 1.69410236 -0.16903503 1.38201197 40 49.15604327 23.13628382 -6.46173931 Zr -0.06699407 1.22002482 1.27696427 40 -45.40582721 5.81312042 12.86710853