180 Lattice="15.103383332490921 0.0 0.0 0.0 15.103383332490921 0.0 0.0 0.0 100.68922221660613" Properties=species:S:1:pos:R:3:forces:R:3 energy=-294.4301237875522 stress="0.0008324855432134179 2.1084091465295748e-13 8.551668228264875e-09 2.1084091465295748e-13 0.0008324855470468543 -4.764696265632545e-08 8.551668228264875e-09 -4.764696265632545e-08 -3.8555303452987983e-07" free_energy=-294.4301237875522 pbc="T T F" Ba -0.00079509 0.01107289 24.02175857 0.00000098 -0.00000098 -0.00000145 Ba 2.51639973 2.52832619 27.24254261 0.00000329 -0.00000237 -0.00000249 Ba -0.00080016 0.01111584 30.01185736 0.00000134 -0.00000340 -0.00000531 Ba 2.51646287 2.52829549 32.63829919 -0.00000149 -0.00000061 -0.00000642 Ba -0.00076442 0.01101454 35.20507714 -0.00000132 0.00000374 -0.00000385 Ba 2.51648297 2.52824802 37.74557403 -0.00000307 0.00000216 -0.00000156 Ba -0.00078748 0.01104366 40.27387422 -0.00000021 0.00000185 -0.00000137 Ba 2.51644550 2.52826565 42.79620832 -0.00000061 0.00000133 -0.00000179 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