256 Lattice="26.75478744506836 0.0 0.0 0.0 26.75478744506836 0.0 0.0 0.0 26.75478744506836" Properties=species:S:1:pos:R:3:forces:R:3 energy=-286.6807896411407 stress="-0.00029045347858580193 6.750425159336513e-07 -1.3736992662867223e-05 6.750425159336513e-07 -0.0002785753744034111 1.3417785869643924e-05 -1.3736992662867223e-05 1.3417785869643924e-05 -0.00029193338678070065" free_energy=-286.6807896411407 pbc="F F F" Ba 0.04386334 0.03828476 0.03524737 -0.12004866 -0.12935461 -0.11705179 Ba 3.30355391 3.33004606 0.00630201 0.23931230 0.15629247 -0.20297022 Ba 3.28441050 0.01515939 3.40355380 0.23656887 -0.21883829 0.07097759 Ba 0.03478039 3.32705788 3.33050951 -0.25258737 0.17069903 0.15606547 Ba 6.65477423 0.00608330 0.05775179 -0.03088958 -0.14438829 -0.13339675 Ba 9.98850285 3.27954602 0.00322604 0.06190827 0.22550669 -0.17962114 Ba 10.00244837 0.01704111 3.29893743 0.03191879 -0.19337882 0.22252687 Ba 6.75279995 3.36766035 3.37121384 -0.03309239 0.18175898 0.17783989 Ba 13.41691425 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