4000 Lattice="64.77501717228809 0.0 0.0 0.0 64.77501717228809 0.0 0.0 0.0 64.77501717228809" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-5929.374290671725 pbc="F F F" Ba -0.00527783 -0.03416987 0.01358133 56 -0.14512713 -0.13931862 -0.12216756 Ba 3.18083430 3.25948956 0.03354010 56 0.18915240 0.12577795 -0.38413819 Ba 3.34399565 0.01503115 3.17846943 56 -0.03673255 -0.36308031 0.22515950 Ba -0.04259148 3.25509895 3.28836729 56 -0.34904220 0.10161012 0.11931496 Ba 6.41953413 0.02517752 0.01395286 56 0.08373250 -0.23181373 -0.32733898 Ba 9.72642601 3.24527914 -0.04219325 56 -0.02700762 0.11736234 -0.28102210 Ba 9.61145164 -0.00650730 3.25467861 56 0.09516424 -0.28802584 0.15317752 Ba 6.47117382 3.21491416 3.24486428 56 0.07077185 0.32432914 0.22382772 Ba 12.92941160 0.04929698 0.06121628 56 -0.01826230 -0.25147479 -0.25943161 Ba 16.20301078 3.27703858 0.03023489 56 -0.05437285 0.13992079 -0.31183580 Ba 16.13297441 -0.03471269 3.19849391 56 0.10260450 -0.23831684 0.20036761 Ba 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