256 Lattice="8.50864998126786 0.0 0.0 0.0 8.50864998126786 0.0 0.0 0.0 8.50864998126786" Properties=species:S:1:pos:R:3:forces:R:3 energy=20735.461891641444 stress="-136.76767679981947 0.5943886713641175 -0.05096888811211413 0.5943886713641175 -136.28324531371587 -1.220487516518209 -0.05096888811211413 -1.220487516518209 -137.0424968809303" free_energy=20735.461891641444 pbc="F F F" Ne 0.01174165 0.02045102 0.01450200 -209.35258708 -219.56177829 -214.74609154 Ne 1.05470601 1.08306452 0.03997880 103.81418289 -191.14296413 -542.73560568 Ne 1.05916351 0.01504674 1.07350698 90.85440479 -437.47745418 -46.15094902 Ne 0.01117812 1.10320871 1.03114855 -511.48177218 -220.32920773 204.06663098 Ne 2.16018846 0.03900236 0.03638583 -107.97607667 -372.52530934 -397.01623189 Ne 3.24078588 1.02829013 0.03474536 -69.48728439 156.63559103 -532.00733900 Ne 3.18155230 0.02693650 1.07044924 125.50808125 -480.67942604 54.67163189 Ne 2.15531792 1.06920231 1.03588797 -61.40865584 57.48955995 217.82540466 Ne 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