256 Lattice="26.729541778564453 0.0 0.0 0.0 26.729541778564453 0.0 0.0 0.0 26.729541778564453" Properties=species:S:1:pos:R:3:forces:R:3 energy=-289.76898002832337 stress="-0.859945947461398 -0.7692946095019026 0.2773493625085859 -0.7692946095019026 -0.5403736820508982 0.0013351779227548377 0.2773493625085859 0.0013351779227548377 -0.4869643480482564" pbc="F F F" Ba -0.04627636 -0.05966264 0.00009138 -0.05273773 -0.04835888 -0.05857964 Ba 3.39810715 3.30877118 -0.00180674 0.06269386 0.15811525 -0.14293568 Ba 3.35563268 -0.03425823 3.34524978 0.15385346 -0.16211816 0.12646184 Ba -0.06554212 3.33442842 3.37591042 -0.12530600 0.15979458 0.07488237 Ba 6.66099189 -0.03736211 -0.06003099 0.06968971 -0.10188708 -0.07341668 Ba 10.05038796 3.33146149 0.05533888 -0.04837015 0.09091597 -0.15414219 Ba 10.05572637 -0.05340676 3.39654458 -0.05140776 -0.12838888 0.09873145 Ba 6.68774533 3.38355754 3.38546957 0.02998990 0.09174143 0.17144589 Ba 13.33465655 0.02951444 0.02234401 -0.00125432 -0.15438087 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