256 Lattice="29.61050675564351 0.0 0.0 0.0 29.61050675564351 0.0 0.0 0.0 29.61050675564351" Properties=species:S:1:pos:R:3:forces:R:3 energy=-133.0864521339838 stress="-6.475506784236169e-05 -5.1378228186569085e-06 4.0775958444671856e-06 -5.1378228186569085e-06 -6.296299855047097e-05 -1.6378560073405564e-06 4.0775958444671856e-06 -1.6378560073405564e-06 -6.865560322832558e-05" free_energy=-133.0864521339838 pbc="F F F" K 0.05957209 0.06237902 0.04182858 -0.05666697 -0.06042288 -0.05066739 K 3.65357261 3.69195472 0.02641017 0.07458239 0.07022840 -0.11944331 K 3.76190222 0.04121999 3.68922923 0.05824909 -0.10593609 0.07654851 K 0.01405974 3.77395724 3.63551729 -0.10984661 0.04903432 0.07773622 K 7.43202958 0.05773101 0.07161994 0.01444689 -0.07860337 -0.08212484 K 11.03433616 3.77293621 0.06698793 0.03711647 0.04447314 -0.08790645 K 11.09717143 0.02906886 3.76970450 0.01002563 -0.07828097 0.06317674 K 7.40467761 3.71750130 3.63061010 0.02068420 0.09152236 0.12565630 K 14.86621665 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