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=-11.611163656602876 stress="-29.66546848347849 -9.091896415848687 5.596846122742763 -9.091896415848687 -32.43764129326354 -7.19299718995111 5.596846122742763 -7.19299718995111 -30.142626277874346" pbc="F F F" Zr -0.01155935 0.03277713 -0.10028026 -11.41976783 -18.75772495 -10.75192652 Zr 1.37366136 1.46097674 -0.21780693 14.72964366 12.46320950 -7.61535963 Zr 1.71813893 -0.23283931 1.69410236 4.63149465 -3.80524879 4.15674907 Zr -0.16903503 1.38201197 1.43300593 -7.94137049 10.09976424 14.21053708