4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-12.882263508370864 pbc="T T F" O -0.25394427 -0.15729345 -0.09100391 8 -0.82950425 -3.89234702 6.63933367 O 1.21452956 1.76244879 0.18000633 8 -0.78327559 5.25740661 7.01935036 O 1.71460162 -0.17138673 1.47718553 8 2.71826245 -4.91060991 -7.68892986 O -0.04941260 1.52788539 1.47214431 8 -1.10548262 3.54555032 -5.96975416