864 Lattice="12.766497211235265 0.0 0.0 0.0 12.766497211235265 0.0 0.0 0.0 12.766497211235265" Properties=species:S:1:pos:R:3:forces:R:3 energy=73500.17240232375 stress="-298710.0212401285 1276.186723921226 -542.2656656851905 1276.186723921226 -297946.7539070499 892.7628399775131 -542.2656656851905 892.7628399775131 -299237.454778231" pbc="F F F" Ne 0.03775377 0.04118720 0.04238289 -268.56215834 -321.02533050 -290.53418878 Ne 1.05255846 1.06940652 -0.01118626 74.62783334 45.41701959 -331.23458855 Ne 1.07967324 0.01160747 1.08647306 131.49564264 -365.31556416 -47.45656717 Ne 0.00769393 1.02242557 1.08727725 -344.56377675 250.36886005 -71.22425699 Ne 2.13573506 -0.03281274 -0.00952661 -46.46545804 -224.84103881 -272.48311980 Ne 3.23925409 1.03864351 -0.01921396 -120.47221046 -15.01737113 -418.16375458 Ne 3.16058647 0.03123452 1.05037972 168.32881395 -413.08261448 -3.69831400 Ne 2.16241886 1.10359850 1.00971719 -200.67047571 -199.89641184 127.92322356 Ne 4.25588275 0.02268643 0.02056020 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