864 Lattice="25.5329944755819 0.0 0.0 0.0 25.5329944755819 0.0 0.0 0.0 25.5329944755819" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=73500.17053876717 pbc="F F F" Ne 0.03775377 0.04118720 0.04238289 10 -268.56215104 -321.02532178 -290.53418088 Ne 1.05255846 1.06940652 -0.01118626 10 74.62783132 45.41701836 -331.23457953 Ne 1.07967325 0.01160747 1.08647306 10 131.49563908 -365.31555422 -47.45656588 Ne 0.00769393 1.02242557 1.08727725 10 -344.56376737 250.36885326 -71.22425506 Ne 2.13573506 -0.03281274 -0.00952661 10 -46.46545678 -224.84103268 -272.48311238 Ne 3.23925410 1.03864352 -0.01921396 10 -120.47220719 -15.01737072 -418.16374319 Ne 3.16058647 0.03123452 1.05037972 10 168.32880939 -413.08260324 -3.69831390 Ne 2.16241887 1.10359851 1.00971719 10 -200.67047027 -199.89640641 127.92322010 Ne 4.25588276 0.02268643 0.02056020 10 54.57558025 -385.47944855 -246.48082955 Ne 5.30469190 1.04644950 -0.01931254 10 49.31106135 79.33799055 -290.66865031 Ne 5.33507991 -0.00830129 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