256 Lattice="26.881420135498047 0.0 0.0 0.0 26.881420135498047 0.0 0.0 0.0 26.881420135498047" Properties=species:S:1:pos:R:3:forces:R:3 energy=-273.7341205958468 stress="-0.011018946951096176 -0.12521821248054876 0.3511841490476346 -0.12521821248054876 0.15882829316157654 0.23128679444442923 0.3511841490476346 0.23128679444442923 0.134960995924851" pbc="F F F" Ba -0.04653930 -0.06000165 0.00009190 -0.04701559 -0.04282039 -0.05158889 Ba 3.41741533 3.32757175 -0.00181700 0.05759402 0.14971260 -0.12937564 Ba 3.37469952 -0.03445289 3.36425763 0.14594827 -0.15426112 0.11215908 Ba -0.06591453 3.35337478 3.39509248 -0.11811081 0.15158903 0.06331375 Ba 6.69883992 -0.03757440 -0.06037209 0.06344112 -0.09242817 -0.06469698 Ba 10.10749468 3.35039100 0.05565332 -0.04861804 0.08289430 -0.13984827 Ba 10.11286342 -0.05371022 3.41584388 -0.06556200 -0.10605275 0.08728363 Ba 6.72574537 3.40278306 3.40470595 0.04527009 0.08269787 0.16965580 Ba 13.41042461 0.02968214 0.02247097 0.00161263 -0.14247720 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