1372 Lattice="45.76118870845595 0.0 0.0 0.0 45.76118870845595 0.0 0.0 0.0 45.76118870845595" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1884.086122500458 pbc="F F F" Ba -0.04298149 -0.03447201 -0.06104051 56 -0.10988266 -0.09980520 -0.09537768 Ba 3.27142899 3.23029491 0.05169181 56 0.14276889 0.11096383 -0.33327876 Ba 3.27134169 -0.04772135 3.25496914 56 0.12388987 -0.31235959 0.10098620 Ba 0.05331806 3.27539536 3.27463777 56 -0.35605237 0.06505856 0.13362829 Ba 6.63548341 0.02311280 0.05078696 56 -0.02814107 -0.20840242 -0.23209655 Ba 9.86864978 3.27254123 -0.04664956 56 -0.03063586 0.17740402 -0.21717935 Ba 9.78068844 -0.02973493 3.29957467 56 0.06923319 -0.20142105 0.18472741 Ba 6.56652411 3.30268579 3.24829807 56 0.02173221 0.19177030 0.20599234 Ba 13.05058417 0.00694479 0.01714691 56 0.00946346 -0.20818285 -0.18557498 Ba 16.28756290 3.31143680 0.05683569 56 0.07170650 0.11799660 -0.27501870 Ba 16.32733658 -0.01931770 3.26010989 56 -0.00580632 -0.22326300 0.19813916 Ba 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