180 Lattice="15.103383332489999 0.0 0.0 0.0 15.103383332489999 0.0 0.0 0.0 50.3446111083" Properties=species:S:1:pos:R:3:forces:R:3 energy=-294.4301237875557 stress="19.120893248441277 4.842725479306531e-09 0.0001964184685027924 4.842725479306531e-09 19.12089333648928 -0.001094376344813163 0.0001964184685027924 -0.001094376344813163 -0.008855551277033177" pbc="T T F" Ba -0.00079509 0.01107289 -1.15054698 0.00000098 -0.00000098 -0.00000145 Ba 2.51639973 2.52832619 2.07023706 0.00000329 -0.00000237 -0.00000249 Ba -0.00080016 0.01111584 4.83955181 0.00000134 -0.00000340 -0.00000531 Ba 2.51646287 2.52829549 7.46599364 -0.00000149 -0.00000061 -0.00000642 Ba -0.00076442 0.01101454 10.03277159 -0.00000132 0.00000374 -0.00000385 Ba 2.51648297 2.52824802 12.57326847 -0.00000307 0.00000216 -0.00000156 Ba -0.00078748 0.01104366 15.10156866 -0.00000021 0.00000185 -0.00000137 Ba 2.51644550 2.52826565 17.62390276 -0.00000061 0.00000133 -0.00000179 Ba -0.00075677 0.01105342 20.14350329 -0.00000137 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