500 Lattice="33.293266398022716 0.0 0.0 0.0 33.293266398022716 0.0 0.0 0.0 33.293266398022716" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-582.2361767622128 pbc="F F F" Ba 0.00688051 0.04576470 -0.00593876 56 -0.11627688 -0.14148127 -0.11551854 Ba 3.28274817 3.30679295 0.03065953 56 0.21513900 0.14924842 -0.25821200 Ba 3.29992664 0.00215289 3.38110518 56 0.16870237 -0.25959089 0.06965410 Ba 0.04585972 3.31307195 3.27716065 56 -0.25468316 0.14060938 0.21806789 Ba 6.69603732 0.03764463 -0.00905729 56 -0.00734839 -0.12976059 -0.14172824 Ba 10.08741025 3.33596401 0.01374647 56 -0.11525690 0.12012594 -0.15193346 Ba 9.93932796 -0.06091465 3.36908367 56 0.01412746 -0.15490440 0.09877870 Ba 6.61563733 3.26959498 3.37884425 56 0.10479890 0.25325471 0.11682412 Ba 13.27690691 -0.04377553 0.00212044 56 0.01833815 -0.14317277 -0.12810206 Ba 16.70026541 3.29960524 -0.06194179 56 -0.07124313 0.17788210 -0.19157875 Ba 16.60959579 0.06123430 3.32417645 56 0.02577536 -0.20327449 0.17642613 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