256 Lattice="16.753100456552588 0.0 0.0 0.0 16.753100456552588 0.0 0.0 0.0 16.753100456552588" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2747.6245837018537 stress="-0.004533391988791708 -0.0001007574440567203 2.342069791759318e-05 -0.0001007574440567203 -0.004129052461493442 -4.954411661718622e-05 2.342069791759318e-05 -4.954411661718622e-05 -0.004331458775738992" free_energy=-2747.6245837018537 pbc="F F F" Ta 0.03492616 0.01325294 0.00600749 0.76730318 0.80941190 0.79932164 Ta 2.15144212 2.07538110 0.01338476 -0.20823035 0.22636432 -0.28380620 Ta 2.11439630 0.01797527 2.11204712 -0.14021885 -0.50582291 -0.19656933 Ta 0.02091061 2.12535996 2.11277510 -0.30027726 -0.11605785 -0.30232853 Ta 4.18780186 0.02441558 0.00081724 0.14744218 0.56597284 0.73649276 Ta 6.22986399 2.07234138 0.00053084 0.05350263 0.18824780 -0.22970737 Ta 6.31263287 0.01716666 2.05255463 -0.26273334 -0.44420470 0.36632849 Ta 4.19862865 2.07091778 2.11240497 0.18501394 -0.68811173 -0.68872938 Ta 8.32248773 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