256 Lattice="26.754792597495967 0.0 0.0 0.0 26.754792597495967 0.0 0.0 0.0 26.754792597495967" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-287.39801897006635 pbc="F F F" Ba 0.01857924 0.05977682 -0.04875575 56 -0.07930091 -0.10771393 -0.06198352 Ba 3.33504957 3.30934810 -0.04309356 56 0.14638067 0.16484573 -0.13845891 Ba 3.38932684 -0.03863281 3.40850088 56 0.06091005 -0.15313844 0.07818286 Ba -0.06147302 3.36035943 3.31942348 56 -0.15083348 0.09463818 0.15933774 Ba 6.65157920 -0.00282345 0.06344541 56 0.05772329 -0.13839863 -0.12303091 Ba 9.96337032 3.37934060 -0.02042754 56 -0.00114089 0.14179858 -0.12781104 Ba 10.08334400 0.00268207 3.40573723 56 -0.05441546 -0.17830806 0.07035765 Ba 6.70767936 3.32017312 3.41100421 56 0.02954678 0.24099978 0.12112365 Ba 13.33844448 0.01959091 0.05753308 56 0.01390737 -0.11747833 -0.14910386 Ba 16.77115946 3.34704205 -0.05285062 56 -0.04761986 0.13481668 -0.15592060 Ba 16.68801130 0.06531314 3.37902247 56 -0.05149292 -0.17248514 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