500 Lattice="36.3320235274021 0.0 0.0 0.0 36.3320235274021 0.0 0.0 0.0 36.3320235274021" Properties=species:S:1:pos:R:3:forces:R:3 energy=-288.41142336304137 stress="-6.974779259270336e-05 6.381810463309585e-06 -5.962208698732426e-07 6.381810463309585e-06 -6.741738370709588e-05 3.402409921308162e-06 -5.962208698732426e-07 3.402409921308162e-06 -7.038617494722106e-05" free_energy=-288.41142336304137 pbc="F F F" K 0.06963085 0.06376151 0.04522166 -0.07270241 -0.06661999 -0.06776116 K 3.66207255 3.62271189 0.06483872 0.06231677 0.08165671 -0.13732674 K 3.60918080 0.04997004 3.65927231 0.08619493 -0.14601848 0.06430417 K 0.07127747 3.69944279 3.64507295 -0.14467420 0.06400443 0.07495710 K 7.21040427 0.06066562 0.01357312 0.02152722 -0.09781170 -0.08387442 K 10.88127915 3.57412118 0.01375314 0.00273971 0.08915104 -0.11754130 K 10.84256318 0.00839812 3.69003124 0.01035121 -0.11351595 0.06265568 K 7.31164432 3.65547348 3.67671683 0.01967686 0.10403844 0.09253670 K 14.56256593 0.04671764 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