256 Lattice="8.523431777954102 0.0 0.0 0.0 8.523431777954102 0.0 0.0 0.0 8.523431777954102" Properties=species:S:1:pos:R:3:forces:R:3 energy=20371.220668967235 stress="-133.63081039857502 0.07548342785937978 -0.4723304082866588 0.07548342785937978 -133.45965786523863 0.24094564370042745 -0.4723304082866588 0.24094564370042745 -133.74284507978945" free_energy=20371.220668967235 pbc="F F F" Ne 0.02794760 0.02439320 0.02245792 -263.83973584 -285.34290665 -262.87150615 Ne 1.03943667 1.06461916 0.00401534 166.95079290 10.75676095 -386.79111520 Ne 1.02723942 0.00965883 1.10315177 229.95558838 -431.82077171 -160.18118027 Ne 0.02216038 1.05441227 1.05661148 -500.06775733 61.91409414 12.60444877 Ne 2.10094112 0.00387598 0.03679665 -74.62405205 -295.57721029 -285.05859294 Ne 3.16790662 1.02414001 0.00205548 73.72100906 152.57374657 -393.20575133 Ne 3.17679203 0.01085777 1.03649528 75.30534820 -454.34672943 120.44600813 Ne 2.17170133 1.06980570 1.11075631 -114.18151336 44.49753518 -130.65952761 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