256 Lattice="8.612344741821289 0.0 0.0 0.0 8.612344741821289 0.0 0.0 0.0 8.612344741821289" Properties=species:S:1:pos:R:3:forces:R:3 energy=3427.7894917721587 stress="-12.196184615606931 0.004688184573318496 0.00605142041145573 0.004688184573318496 -12.191135069784046 0.00041042173802351915 0.00605142041145573 0.00041042173802351915 -12.202858538438793" free_energy=3427.7894917721587 pbc="F F F" Ne 0.02823915 0.02464766 0.02269220 -21.41000524 -21.59517270 -21.25889526 Ne 1.05027965 1.07572483 0.00405722 6.05398013 -0.46385045 -35.52464362 Ne 1.03795515 0.00975959 1.11465941 6.57334422 -37.65302880 -5.24675923 Ne 0.02239156 1.05482568 1.09613789 -40.02815108 2.06112036 -3.47032807 Ne 2.09177164 0.00391642 0.03718051 -1.22809857 -27.93975850 -27.42233417 Ne 3.18644660 1.03482341 0.00207692 4.88034447 3.50390839 -37.11792312 Ne 3.18935630 0.01097104 1.04730757 5.54957761 -39.83196839 1.34033375 Ne 2.19435565 1.06204211 1.13633101 -6.68528989 3.65694105 -6.83886333 Ne 4.35106723 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