256 Lattice="16.502800912943833 0.0 0.0 0.0 16.502800912943833 0.0 0.0 0.0 16.502800912943833" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1843.230452656212 stress="-0.012655483980712362 0.00027834043696166365 6.165694684765065e-05 0.00027834043696166365 -0.013130556084963345 1.6607497928473608e-05 6.165694684765065e-05 1.6607497928473608e-05 -0.012429173713366822" free_energy=-1843.230452656212 pbc="F F F" Ta 0.01545313 0.00544141 0.00204606 1.20406314 1.23455128 1.20185465 Ta 2.08000470 2.09568658 0.01557607 -0.58157397 -0.79230786 -0.30140429 Ta 2.02705600 0.05889090 2.10396244 -0.21634262 -0.38025363 -0.87878641 Ta 0.04862761 2.10062473 2.04344510 -0.57237253 -0.91376901 -0.39881238 Ta 4.10318180 0.03921898 0.01442467 -0.01248395 0.43935365 0.56742638 Ta 6.16835545 2.06080413 0.02744309 0.20276152 -0.37591562 -0.41077464 Ta 6.16768871 0.03601088 2.05144194 0.30829881 -0.37415611 -0.47844519 Ta 4.14306435 2.07205420 2.07859688 -0.09480167 -0.45332075 -0.45250292 Ta 8.27385187 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10.34540276 6.16788719 12.39262498 -0.02459797 0.18633800 0.32646930 Ta 10.29376570 4.15525215 14.43299414 0.31043978 -0.33681458 0.17282786 Ta 8.26876033 6.15669534 14.41956215 -0.17061542 0.26622427 0.31741406 Ta 12.37154494 4.10735623 12.33735356 0.93541439 0.20956238 1.17214289 Ta 14.42335877 6.18803479 12.34958577 -0.40239811 -0.13542022 0.91778504 Ta 14.46025212 4.09157012 14.48020122 -1.44058486 0.11631010 -1.50305066 Ta 12.33837254 6.18985756 14.47388743 1.00638364 -0.05696917 -0.48365752 Ta 0.04691918 8.27961808 12.33816028 -0.38065082 -0.20057329 0.89204150 Ta 2.06662946 10.27938124 12.34603636 -0.56368185 0.43433229 0.61663981 Ta 2.10298735 8.28706738 14.41478955 -0.99700988 -0.25932542 0.24529067 Ta 0.01642395 10.33722959 14.44798233 0.66917186 -0.20279698 -0.72992385 Ta 4.11843100 8.20347518 12.37365932 0.28133847 0.31958749 0.38437200 Ta 6.16842664 10.34970295 12.40544011 0.21008852 -0.23236164 0.19575350 Ta 6.17502253 8.28162579 14.43083812 -0.01695088 -0.24647202 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0.94703002 0.49895758 Ta 6.22454847 14.47542242 12.33639956 -0.17980199 -0.44480451 0.72232759 Ta 6.21317531 12.35759327 14.47185660 -0.10512094 0.89374041 -0.36243612 Ta 4.14796542 14.43628722 14.43968551 0.20378112 -1.03894536 -0.94287891 Ta 8.27873981 12.38403617 12.38044168 -0.46833038 0.67392526 0.24668055 Ta 10.34660752 14.42951302 12.38011320 -0.20775427 0.38294586 0.36130704 Ta 10.27519440 12.40453745 14.42310173 0.38973618 0.43649771 0.44388175 Ta 8.25365590 14.46110886 14.41364343 -0.23669724 -0.69929190 -0.71183963 Ta 12.37049983 12.41830363 12.37875425 0.67128911 0.27973495 0.48237629 Ta 14.46211920 14.40134869 12.37722889 -0.82751957 -0.64831306 0.31931110 Ta 14.40017352 12.34815645 14.40693015 -0.40425919 0.70108872 -0.39565179 Ta 12.38524750 14.43538531 14.44205108 0.38152985 -0.77176305 -0.79604021