256 Lattice="26.729544904208147 0.0 0.0 0.0 26.729544904208147 0.0 0.0 0.0 26.729544904208147" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-289.4682234290979 pbc="F F F" Ba 0.05332284 -0.03833249 0.01540147 56 -0.09014973 -0.09261810 -0.11831447 Ba 3.33849939 3.40563305 -0.03138777 56 0.17033374 0.06813316 -0.19320608 Ba 3.28045752 0.06043859 3.35181455 56 0.23208163 -0.25128877 0.07736119 Ba -0.02267751 3.29999157 3.29935344 56 -0.22445576 0.19445283 0.16874069 Ba 6.74218193 0.00078374 -0.05445278 56 -0.06490998 -0.12134356 -0.12765975 Ba 10.06968980 3.28470819 -0.00464966 56 -0.06589173 0.24236006 -0.15543768 Ba 9.93560925 -0.02010869 3.32386024 56 0.04009278 -0.18677085 0.18552868 Ba 6.65065988 3.28310817 3.33689100 56 0.05578051 0.27821377 0.16303884 Ba 13.32723184 0.02890845 -0.00408437 56 0.02145856 -0.17786425 -0.11869082 Ba 16.70304520 3.28518933 -0.01828014 56 -0.02349648 0.21183643 -0.15139688 Ba 16.76121745 -0.02220851 3.29644307 56 -0.10828635 -0.14571715 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