1372 Lattice="46.15936116729689 0.0 0.0 0.0 46.15936116729689 0.0 0.0 0.0 46.15936116729689" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1757.0734920363489 pbc="F F F" Ba -0.05149235 -0.05128896 -0.03709447 56 -0.06710466 -0.06636250 -0.08698369 Ba 3.34391910 3.34907952 -0.00435751 56 0.03175836 0.07682183 -0.26800874 Ba 3.26153968 0.05647336 3.32580898 56 0.17029939 -0.31440724 0.09827330 Ba 0.06188763 3.27400455 3.32087851 56 -0.28697497 0.17905932 0.08005542 Ba 6.57810444 -0.00030608 0.00644015 56 0.01765945 -0.18282787 -0.15485232 Ba 9.83825648 3.33439921 -0.00508329 56 0.02014573 0.07253176 -0.22686278 Ba 9.87317298 0.05371214 3.33587555 56 -0.01542135 -0.22600994 0.09066760 Ba 6.55909473 3.33610826 3.28245261 56 0.08344243 0.13020756 0.24479416 Ba 13.18870440 0.05199530 0.06442686 56 -0.03261781 -0.20944028 -0.18488970 Ba 16.41959099 3.28587255 -0.02317036 56 0.07323295 0.18425088 -0.19643715 Ba 16.50464646 0.03074471 3.36142822 56 0.00705442 -0.25188048 0.10231891 Ba 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