108 Lattice="22.898394053184663 0.0 0.0 0.0 22.898394053184663 0.0 0.0 0.0 22.898394053184663" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-46.30422000203738 pbc="F F F" K 0.04080847 -0.07169260 0.02955292 19 -0.02675525 -0.02532754 -0.03323510 K 3.79682347 3.87786407 0.07025291 19 0.06681640 0.03725434 -0.07871233 K 3.80294099 -0.00663728 3.77177224 19 0.05399270 -0.06987213 0.06872072 K -0.03424802 3.77371881 3.77562911 19 -0.07417463 0.05366712 0.05718594 K 7.62182254 -0.05251209 0.05139537 19 0.01549200 -0.02563072 -0.03796995 K 11.45136802 3.88776668 -0.01018346 19 -0.01530525 0.02839145 -0.03690866 K 11.49909162 -0.06169853 3.83347605 19 -0.02092630 -0.03474482 0.03970011 K 7.58265912 3.84601804 3.80695138 19 0.04461395 0.07257908 0.07818944 K 15.24974785 -0.00618033 0.04531453 19 -0.04034497 -0.04749719 -0.05437769 K 19.06254624 3.86701858 -0.03717849 19 0.05268737 0.04131682 -0.04898058 K 19.14936074 0.04760922 3.75481076 19 0.04403518 -0.04257771 0.05167355 K 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