256 Lattice="26.75479232350452 0.0 0.0 0.0 26.75479232350452 0.0 0.0 0.0 26.75479232350452" Properties=species:S:1:pos:R:3:forces:R:3 energy=-287.3980187910108 stress="-1.5167086021365872 -0.16562419303329445 -0.2842110405329601 -0.16562419303329445 -1.2686441111873137 0.2799232649451113 -0.2842110405329601 0.2799232649451113 -0.9012221087679237" pbc="F F F" Ba 0.01857924 0.05977683 -0.04875575 -0.07930093 -0.10771395 -0.06198354 Ba 3.33504954 3.30934807 -0.04309357 0.14638068 0.16484574 -0.13845894 Ba 3.38932681 -0.03863282 3.40850085 0.06091005 -0.15313847 0.07818285 Ba -0.06147303 3.36035940 3.31942345 -0.15083352 0.09463818 0.15933775 Ba 6.65157913 -0.00282345 0.06344542 0.05772330 -0.13839867 -0.12303094 Ba 9.96337021 3.37934057 -0.02042754 -0.00114089 0.14179858 -0.12781108 Ba 10.08334390 0.00268208 3.40573720 -0.05441547 -0.17830811 0.07035765 Ba 6.70767929 3.32017309 3.41100419 0.02954679 0.24099980 0.12112364 Ba 13.33844433 0.01959091 0.05753309 0.01390737 -0.11747836 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