1372 Lattice="45.76117978650882 0.0 0.0 0.0 45.76117978650882 0.0 0.0 0.0 45.76117978650882" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1884.08611585802 stress="-9.75542719296843 -0.8449608642938813 0.19929682150969086 -0.8449608642938813 -9.385400563026906 0.5514172919789644 0.19929682150969086 0.5514172919789644 -9.902864746403274" pbc="F F F" Ba -0.04298149 -0.03447200 -0.06104050 -0.10988310 -0.09980562 -0.09537810 Ba 3.27142835 3.23029427 0.05169181 0.14276900 0.11096389 -0.33327976 Ba 3.27134105 -0.04772135 3.25496850 0.12388995 -0.31236058 0.10098625 Ba 0.05331805 3.27539473 3.27463713 -0.35605339 0.06505857 0.13362838 Ba 6.63548213 0.02311280 0.05078695 -0.02814110 -0.20840312 -0.23209728 Ba 9.86864786 3.27254059 -0.04664956 -0.03063590 0.17740419 -0.21718021 Ba 9.78068653 -0.02973492 3.29957403 0.06923329 -0.20142189 0.18472759 Ba 6.56652283 3.30268515 3.24829744 0.02173226 0.19177047 0.20599250 Ba 13.05058162 0.00694479 0.01714691 0.00946348 -0.20818355 -0.18557565 Ba 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