500 Lattice="10.622993617026593 0.0 0.0 0.0 10.622993617026593 0.0 0.0 0.0 10.622993617026593" Properties=species:S:1:pos:R:3:forces:R:3 energy=42923.891806752275 stress="-145.34409619940425 0.5629206408019957 0.34688059902014806 0.5629206408019957 -145.18367722425026 0.3626232529137609 0.34688059902014806 0.3626232529137609 -145.74017701875755" free_energy=42923.891806752275 pbc="F F F" Ne 0.00377344 0.00829985 0.00939216 -226.72498246 -221.00509615 -225.84188251 Ne 1.06993311 1.04863271 0.00575163 -24.39838600 53.64794751 -439.24886334 Ne 1.06615450 0.02401971 1.03550921 -44.72033889 -424.02824737 128.50321822 Ne 0.00610274 1.07632832 1.03680245 -425.18898408 -52.16235779 136.44887455 Ne 2.08730845 0.01944033 0.01232487 129.14529808 -340.14558470 -336.92713184 Ne 3.18758545 1.04470517 0.03485685 -32.72663944 58.67009385 -419.81379468 Ne 3.16639798 0.01347323 1.08872658 135.84924400 -444.65860339 -130.15079180 Ne 2.14362978 1.04423695 1.10117555 -82.82335476 195.69429323 -140.77525972 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