108 Lattice="18.576211475036736 0.0 0.0 0.0 18.576211475036736 0.0 0.0 0.0 18.576211475036736" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11.481296355797106 stress="-0.5047317513062654 -0.03102166712519272 0.18040287913571 -0.03102166712519272 -0.505363531411553 0.02278154589550896 0.18040287913571 0.02278154589550896 -0.4973385650437327" pbc="F F F" Xe 0.00318651 -0.04401043 0.01445862 -0.00055041 -0.00230758 -0.00721958 Xe 3.07826854 3.15389846 0.02944403 0.01280939 -0.01990082 -0.01323747 Xe 3.04197184 -0.03253635 3.13436570 0.03222720 -0.00614806 -0.01394423 Xe -0.04417894 3.05387205 3.05590524 -0.01179563 0.01900006 0.00812152 Xe 6.25083454 -0.04700286 0.05119616 -0.02055616 0.00879576 -0.00636378 Xe 9.31456764 3.11089350 0.02423349 -0.01456457 0.00461880 -0.01122159 Xe 9.27292400 -0.05881807 3.06127500 0.00843750 0.00577890 0.02247029 Xe 6.13407101 3.11541314 3.18789345 0.02478457 0.00959510 -0.02135823 Xe 12.40210484 0.04105199 0.01285662 -0.00708633 -0.01410281 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15.48081247 12.40771183 15.53533368 0.00226509 -0.01213034 -0.00158947 Xe 12.32709331 15.41936162 15.49491252 0.00309551 0.01727770 0.00285891