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=-581.8144430845996 pbc="F F F" Ba 0.05886161 -0.06559833 -0.05421473 56 -0.09522102 -0.06146389 -0.09403135 Ba 3.38695815 3.34893011 0.02922919 56 0.12177297 0.09377567 -0.24124939 Ba 3.28256019 -0.01185903 3.29233640 56 0.20667147 -0.21027451 0.16472539 Ba 0.02823584 3.38479657 3.27910898 56 -0.25368793 0.02905613 0.13584920 Ba 6.75084359 -0.05857027 0.00899968 56 -0.04171057 -0.15228482 -0.17351799 Ba 9.94011387 3.39024401 0.05151618 56 0.08975174 0.09249441 -0.25111203 Ba 9.94148461 0.03651297 3.33823092 56 0.10684512 -0.25332943 0.14909222 Ba 6.71992041 3.26331238 3.28430705 56 -0.11545864 0.28734323 0.28894516 Ba 13.29679915 -0.04644629 0.00634123 56 -0.04167713 -0.09835506 -0.13020629 Ba 16.65128220 3.28201414 -0.01406783 56 0.00169747 0.17957930 -0.14758677 Ba 16.60140658 -0.04763584 3.30767273 56 0.03993684 -0.17380409 0.17654358 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