4 Lattice="4.5 0.0 0.0 0.0 4.5 0.0 0.0 0.0 4.5" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=519.3302343053152 pbc="T T T" Mo -0.12090957 0.04559823 -0.10179561 42 -261.74076560 -375.07376516 -628.28116659 Mo 1.23228121 1.26456816 -0.07368162 42 333.26848335 301.21104465 -473.39539889 U 1.21746271 -0.08410913 1.06661890 92 257.62623893 -287.42087549 437.04064370 Xe -0.11903794 1.10745485 1.00630188 54 -329.15395667 361.28359600 664.63592178