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:Z:I:1:forces:R:3 energy=19.733698512989708 pbc="T F F" Xe 0.11165070 0.23259163 0.02110068 54 4.38855560 -39.49466871 -35.18932148 Xe 1.60384149 1.41996064 0.16953976 54 -21.49125730 21.20556352 -27.51687772 Xe 1.53459707 0.13562219 1.77855328 54 -18.13620709 -24.77533877 11.95038223 Xe -0.12942573 1.28309349 1.41160556 54 35.23890878 43.06444397 50.75581697