256 Lattice="8.50690287645471 0.0 0.0 0.0 8.50690287645471 0.0 0.0 0.0 8.50690287645471" Properties=species:S:1:pos:R:3:forces:R:3 energy=20787.311197109284 stress="-137.1921522690594 0.5962262243115976 -0.05112631968169973 0.5962262243115976 -136.70622295826024 -1.2242608807621964 -0.05112631968169973 -1.2242608807621964 -137.46782009653955" free_energy=20787.311197109284 pbc="F F F" Ne 0.01173924 0.02044682 0.01449902 -209.91591575 -220.15258082 -215.32392662 Ne 1.05448945 1.08284213 0.03997060 104.09220061 -191.65583086 -544.19464431 Ne 1.05894603 0.01504365 1.07328656 91.09771759 -438.65437911 -46.27490550 Ne 0.01117583 1.10298219 1.03093681 -512.85708269 -220.92012475 204.61328534 Ne 2.15974491 0.03899436 0.03637836 -108.26566998 -373.52706123 -398.08369062 Ne 3.24012045 1.02807898 0.03473823 -69.67358724 157.05526568 -533.43770519 Ne 3.18089902 0.02693098 1.07022944 125.84457458 -481.97218773 54.81780709 Ne 2.15487537 1.06898277 1.03567526 -61.57333383 57.64330952 218.40892913 Ne 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