256 Lattice="29.632099710772685 0.0 0.0 0.0 29.632099710772685 0.0 0.0 0.0 29.632099710772685" Properties=species:S:1:pos:R:3:forces:R:3 energy=-131.99177334030733 stress="-6.30132664681899e-05 -6.592666737726507e-06 2.041556611851577e-06 -6.592666737726507e-06 -6.419205388346306e-05 -7.586996771104574e-06 2.041556611851577e-06 -7.586996771104574e-06 -6.672177749236503e-05" free_energy=-131.99177334030733 pbc="F F F" K 0.01842273 0.06849987 0.01993407 -0.04397060 -0.04506973 -0.04238830 K 3.77368648 3.68263939 0.06246970 0.04082537 0.07754079 -0.10885948 K 3.72442137 0.01962317 3.76292635 0.06242616 -0.11225239 0.04908030 K 0.02418092 3.77633962 3.70592293 -0.10392634 0.06908790 0.06030277 K 7.40246965 0.01307285 0.04092301 0.02020665 -0.07674005 -0.05886843 K 11.05908194 3.68573570 0.04079568 0.02527976 0.06705613 -0.07187750 K 11.17703903 0.01536501 3.75952342 -0.02953549 -0.07354294 0.06174582 K 7.35126539 3.76251865 3.69216495 0.04965276 0.06609979 0.12285824 K 14.88149726 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