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=31.095448914206784 pbc="T F T" Xe 0.01617783 0.27956114 0.03072959 54 -16.27416265 -67.64030047 -46.98727739 Xe 1.48394957 1.35634417 0.28743316 54 38.08652080 35.55362297 -35.09954124 Xe 1.42333143 -0.08829878 1.55796660 54 18.68648311 -31.38558210 8.08872893 Xe 0.17399739 1.22655292 1.42001529 54 -40.49884126 63.47225961 73.99808970