1372 Lattice="45.76117663540523 0.0 0.0 0.0 45.76117663540523 0.0 0.0 0.0 45.76117663540523" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1884.044731228584 pbc="F F F" Ba 0.00144791 -0.03591932 -0.02579058 56 -0.13371602 -0.14515588 -0.13760234 Ba 3.25178764 3.23481481 0.03840842 56 0.14916924 0.21303720 -0.37248667 Ba 3.30666006 0.01801942 3.22440100 56 0.13075552 -0.34436620 0.21652469 Ba 0.00774768 3.21080102 3.23844729 56 -0.33590857 0.22837524 0.13739006 Ba 6.49060265 0.01424664 0.01566889 56 0.08578147 -0.23734394 -0.24627746 Ba 9.72597933 3.33339406 -0.00601562 56 0.07067294 0.08451372 -0.28700626 Ba 9.76912749 0.02320056 3.31658310 56 0.07780399 -0.23987395 0.08416920 Ba 6.54718878 3.27428171 3.20782493 56 0.02903219 0.22081672 0.35489101 Ba 13.03517929 0.05801247 -0.01640671 56 -0.03365417 -0.18678095 -0.19074649 Ba 16.40426943 3.21544615 -0.03486659 56 -0.06831721 0.24902833 -0.22402377 Ba 16.26190532 -0.01731099 3.29532546 56 0.04893393 -0.22474738 0.17963395 Ba 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