256 Lattice="26.75479507446289 0.0 0.0 0.0 26.75479507446289 0.0 0.0 0.0 26.75479507446289" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-287.56832640957197 pbc="F F F" Ba -0.04632007 -0.05971900 0.00009147 56 -0.05176704 -0.04737432 -0.05746283 Ba 3.40131757 3.31189721 -0.00180844 56 0.06140508 0.15637650 -0.14086780 Ba 3.35880298 -0.03429059 3.34841028 56 0.15211740 -0.15996195 0.12528760 Ba -0.06560403 3.33757869 3.37909987 56 -0.12348793 0.15346939 0.06846618 Ba 6.66728501 -0.03739740 -0.06008769 56 0.06864596 -0.10049219 -0.07205637 Ba 10.05988328 3.33460896 0.05539116 56 -0.04770778 0.08943657 -0.15147390 Ba 10.06522672 -0.05345721 3.39975352 56 -0.05846265 -0.11604876 0.09973468 Ba 6.69406372 3.38675422 3.38866806 56 0.03955416 0.08879176 0.17763017 Ba 13.34725475 0.02954232 0.02236511 56 -0.00075906 -0.15245138 -0.13549847 Ba 16.70084032 3.31186878 -0.04902434 56 0.02909321 0.20832123 -0.14108334 Ba 16.75200687 0.01291260 3.28501505 56 -0.06413512 -0.17090530 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