2916 Lattice="58.43817367019366 0.0 0.0 0.0 58.43817367019366 0.0 0.0 0.0 58.43817367019366" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-4238.312477402037 pbc="F F F" Ba -0.05432322 0.06153003 -0.05162862 56 -0.13927903 -0.13879875 -0.15296225 Ba 3.28971472 3.24980611 0.03293842 56 0.10029574 0.15359352 -0.41156167 Ba 3.18281515 0.03722134 3.23152110 56 0.16004919 -0.38412958 0.17078464 Ba 0.02211128 3.26729288 3.22014701 56 -0.38559997 0.15006806 0.19836277 Ba 6.46646252 0.02039317 0.02626315 56 0.08571622 -0.25278014 -0.22286946 Ba 9.76274695 3.29199311 0.03677081 56 -0.10068462 0.12152562 -0.30479778 Ba 9.80146542 0.00813419 3.30200457 56 -0.06207559 -0.30524283 0.09529079 Ba 6.47565854 3.22556428 3.21479512 56 0.06887787 0.26826901 0.28843610 Ba 13.01053317 0.05414313 -0.02527542 56 -0.00727419 -0.24254788 -0.22527206 Ba 16.28667120 3.24285186 0.01545429 56 -0.01151763 0.18818321 -0.36473644 Ba 16.28982232 0.06256193 3.22325050 56 -0.05611503 -0.36234918 0.18262853 Ba 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