500 Lattice="10.622995004215737 0.0 0.0 0.0 10.622995004215737 0.0 0.0 0.0 10.622995004215737" Properties=species:S:1:pos:R:3:forces:R:3 energy=43137.1957115087 stress="-146.23168316689433 0.19935977307594352 0.3839064509168808 0.19935977307594352 -146.09256722163957 0.05871572872174966 0.3839064509168808 0.05871572872174966 -146.0944222398795" free_energy=43137.1957115087 pbc="F F F" Ne 0.01202286 0.04124668 0.02476220 -223.68739584 -289.48321961 -295.83999973 Ne 1.07956317 1.07757176 0.01366324 -27.61882176 -0.06602884 -489.55608047 Ne 1.10068561 0.01806887 1.03740156 -129.21712869 -500.54062831 152.65129037 Ne 0.03058617 1.02819482 1.05082289 -447.07016014 74.94443025 158.91388064 Ne 2.11861707 0.02091197 0.01513158 129.20555411 -355.67232979 -388.18872896 Ne 3.20839336 1.08420863 0.00396573 -73.28737647 -79.45500354 -391.15507928 Ne 3.23209189 0.03133771 1.09495149 -81.14833560 -389.89554023 -71.95549066 Ne 2.11210235 1.02445877 1.04521638 205.07782566 199.63771163 106.72854712 Ne 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