256 Lattice="29.822076853083423 0.0 0.0 0.0 29.822076853083423 0.0 0.0 0.0 29.822076853083423" Properties=species:S:1:pos:R:3:forces:R:3 energy=-125.03432696755593 stress="-5.4932320216961686e-05 1.7124690962548644e-06 -1.2779023106515091e-05 1.7124690962548644e-06 -4.747751127436632e-05 -4.268634654240733e-06 -1.2779023106515091e-05 -4.268634654240733e-06 -5.151918685464023e-05" free_energy=-125.03432696755593 pbc="F F F" K 0.07002863 0.02441551 0.01357939 -0.04654639 -0.04680995 -0.04959904 K 3.79797298 3.69129956 0.06853703 0.05556703 0.07363694 -0.09900950 K 3.69371731 0.01427290 3.77766195 0.06891570 -0.09523448 0.05110467 K 0.00750818 3.70160389 3.72303908 -0.09392028 0.06449613 0.06060637 K 7.56891386 0.01367719 0.04284860 -0.00552025 -0.06455390 -0.05231869 K 11.13609854 3.77124988 0.00424102 0.00953452 0.06031948 -0.08598556 K 11.25377048 0.04169238 3.71243332 -0.01653757 -0.08435749 0.06927865 K 7.44900793 3.77826323 3.79259272 0.02655677 0.07315814 0.06822158 K 14.99136385 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