256 Lattice="8.523429009525675 0.0 0.0 0.0 8.523429009525675 0.0 0.0 0.0 8.523429009525675" Properties=species:S:1:pos:R:3:forces:R:3 energy=20302.4363257701 stress="-133.23281238743698 0.5790853769550103 -0.049658151225175126 0.5790853769550103 -132.7608546826756 -1.1890631925499127 -0.049658151225175126 -1.1890631925499127 -133.50057347419536" free_energy=20302.4363257701 pbc="F F F" Ne 0.01176205 0.02048655 0.01452719 -204.65236164 -214.63231050 -209.92482184 Ne 1.05653797 1.08494574 0.04004825 101.49395780 -186.86405029 -530.56124938 Ne 1.06100321 0.01507288 1.07537161 88.82369950 -427.65706870 -45.11712946 Ne 0.01119754 1.10512493 1.03293958 -500.00604844 -215.39907908 199.50496039 Ne 2.16394060 0.03907012 0.03644904 -105.55996601 -364.16679608 -388.10945807 Ne 3.24641496 1.03007619 0.03480572 -67.93280811 153.13329148 -520.07224445 Ne 3.18707847 0.02698330 1.07230855 122.70023051 -469.89249198 53.45153284 Ne 2.15906159 1.07105945 1.03768724 -60.03479978 56.20626333 212.95597789 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