1372 Lattice="45.76118440889504 0.0 0.0 0.0 45.76118440889504 0.0 0.0 0.0 45.76118440889504" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1884.2768301026922 pbc="F F F" Ba 0.04081614 0.01278541 -0.03884571 56 -0.13437778 -0.17062459 -0.13733024 Ba 3.25916355 3.23385759 0.04783384 56 0.20509501 0.18884848 -0.31703671 Ba 3.30121866 0.05245732 3.31273041 56 0.09999251 -0.30019879 0.12103969 Ba -0.05162787 3.21676990 3.23180484 56 -0.29770275 0.14845637 0.17167006 Ba 6.56801901 -0.04494535 0.04063623 56 0.01655579 -0.21183345 -0.18872841 Ba 9.78218008 3.24786381 0.00156880 56 0.07865614 0.18845416 -0.29026921 Ba 9.89252270 0.02263789 3.31706930 56 -0.06600339 -0.31206889 0.11864004 Ba 6.63778397 3.26722016 3.24050454 56 -0.08951180 0.27480868 0.25871395 Ba 13.08987964 0.01598652 0.04639897 56 -0.02797827 -0.23450763 -0.27181822 Ba 16.28959434 3.30728394 -0.05378138 56 0.02898629 0.12979494 -0.26814555 Ba 16.27860171 0.04061366 3.23948074 56 0.08603794 -0.28301966 0.19861795 Ba 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