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=4.54891174606802 stress="-11.10078172671605 -0.6285212691409658 1.294267933447058 -0.6285212691409658 -13.831589358767125 -4.280793013312982 1.294267933447058 -4.280793013312982 -14.168499595698142" pbc="F F F" Cd -0.10028026 -0.12633864 -0.03902326 -2.80169021 -6.94425838 -6.47828943 Cd 1.28219307 1.71813893 -0.23283931 3.54518760 3.06956222 -3.60515837 Cd 1.69410236 -0.16903503 1.38201197 3.53439056 -2.12597131 1.90456798 Cd -0.06699407 1.22002482 1.27696427 -4.27788796 6.00066747 8.17887982