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=489.7290460120258 stress="-43.95722796692873 -0.10727556250295558 -1.238798723929685 -0.10727556250295558 -45.114589604850146 -0.09535929109046994 -1.238798723929685 -0.09535929109046994 -44.12806621835943" pbc="T T T" Cd -0.18564671 0.11115480 0.11044915 8.10461881 -33.39066591 -18.34808589 Cd 1.70960170 1.31143450 -0.16166483 -43.66806805 22.85399692 13.84590263 Cd 1.28829595 -0.16490224 1.64041416 25.64047102 22.20946763 -23.20549808 Cd -0.22187219 1.51878885 1.32834452 9.92297822 -11.67279864 27.70768134