1372 Lattice="46.159351219130684 0.0 0.0 0.0 46.159351219130684 0.0 0.0 0.0 46.159351219130684" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1757.2039331886215 pbc="F F F" Ba -0.04056883 0.03757389 -0.02524001 56 -0.12040407 -0.11995143 -0.09548562 Ba 3.28648796 3.23795620 0.04553052 56 0.17057735 0.16711220 -0.25672117 Ba 3.32686795 0.00510505 3.28647234 56 0.12252146 -0.26453047 0.13201435 Ba 0.00177852 3.34441196 3.30878684 56 -0.25137492 0.11936266 0.16376368 Ba 6.66363391 0.01012759 -0.05649472 56 -0.02929650 -0.20084646 -0.15756037 Ba 9.84175017 3.25472909 -0.04579827 56 0.08129445 0.22163110 -0.18143073 Ba 9.87916006 -0.02759926 3.34235331 56 0.05247258 -0.22917237 0.09279579 Ba 6.67951855 3.26330663 3.33953740 56 -0.07368963 0.27896300 0.20773832 Ba 13.16532566 0.03235320 -0.02565539 56 -0.00780289 -0.20315440 -0.12733718 Ba 16.42490925 3.24992468 -0.04673365 56 0.04900124 0.21937193 -0.19653609 Ba 16.55954181 -0.00120322 3.31024312 56 -0.07244048 -0.21650564 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