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=8693.954629307087 stress="-1441.0881063521742 471.12692467232995 -435.32681292004565 471.12692467232995 -1212.8777782205984 -221.29300956392328 -435.32681292004565 -221.29300956392328 -1236.1860952915022" free_energy=8693.954629307087 pbc="T T T" Xe -0.14459490 0.11115480 -0.01275680 14441.19613510 -15741.28387602 -978.55594810 Xe 1.70960170 1.31143450 0.04092907 -24729.11499024 14800.66131196 -9547.98879646 Xe 1.35333724 0.05786860 1.64041416 -1504.40264191 -2943.11309065 -2654.05508499 Xe -0.22187219 1.51878885 1.32834452 11792.32149706 3883.73565471 13180.59982955