500 Lattice="10.644846964110917 0.0 0.0 0.0 10.644846964110917 0.0 0.0 0.0 10.644846964110917" Properties=species:S:1:pos:R:3:forces:R:3 energy=42053.28187784042 stress="-141.37241683480275 0.2537931559809509 -0.14281792645557845 0.2537931559809509 -141.88565146838616 0.7478417229686013 -0.14281792645557845 0.7478417229686013 -141.58073101042947" free_energy=42053.28187784042 pbc="F F F" Ne 0.01325798 0.01799799 0.02538603 -285.61124975 -174.17138247 -263.30772521 Ne 1.09988229 1.05490037 0.03487012 -89.46883063 45.91424120 -541.95756487 Ne 1.02836071 0.03592664 1.02592995 220.01119167 -458.93220912 163.09872063 Ne 0.02791089 1.10948733 1.09034439 -564.14520457 -159.85492440 -152.77937697 Ne 2.16381941 0.02543686 0.00398695 -84.24429044 -416.10177518 -262.11252587 Ne 3.15443555 1.03999569 0.03384219 202.11475639 145.32720407 -565.98747944 Ne 3.22344465 0.03876304 1.08919879 -56.44141564 -558.34704240 -109.01385828 Ne 2.16689735 1.10629213 1.03853829 -162.09513442 -103.53868746 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