4000 Lattice="65.45913464308946 0.0 0.0 0.0 65.45913464308946 0.0 0.0 0.0 65.45913464308946" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-5498.582892476053 pbc="F F F" Ba -0.01650845 0.03718661 0.02414231 56 -0.17938789 -0.16729594 -0.16343166 Ba 3.26379222 3.21471223 -0.06356971 56 0.14191995 0.21977088 -0.30398890 Ba 3.25281975 0.01048560 3.21403420 56 0.12547163 -0.31326486 0.24884955 Ba 0.00891653 3.30409985 3.23281413 56 -0.27935257 0.13483548 0.16892207 Ba 6.62864102 0.04307557 0.05851378 56 -0.04779085 -0.25575266 -0.27608875 Ba 9.76255778 3.29540236 0.06186787 56 0.04258073 0.19628708 -0.28974483 Ba 9.76452547 0.01341712 3.25306323 56 0.07223018 -0.26910836 0.22593923 Ba 6.47253408 3.21650483 3.32955380 56 0.05385597 0.34163949 0.16681385 Ba 13.00236975 -0.05374403 -0.03436652 56 0.04749878 -0.13627374 -0.15469133 Ba 16.37144468 3.27557632 -0.05491546 56 -0.04523319 0.11148896 -0.17896320 Ba 16.31658254 0.00885198 3.32952852 56 0.02204156 -0.17574827 0.06070999 Ba 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