256 Lattice="16.753101348876953 0.0 0.0 0.0 16.753101348876953 0.0 0.0 0.0 16.753101348876953" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2747.8048511392562 stress="-0.005174380339526864 1.0817489811167717e-05 0.00014449925239838694 1.0817489811167717e-05 -0.005223910773498899 -7.076126698776096e-05 0.00014449925239838694 -7.076126698776096e-05 -0.005164990995652136" free_energy=-2747.8048511392562 pbc="F F F" Ta 0.02746600 0.02397284 0.02207092 0.63836730 0.60965126 0.63392088 Ta 2.06859328 2.09334181 0.00394614 0.19781803 -0.02025683 -0.32195747 Ta 2.05660622 0.00949238 2.13121042 0.32450630 -0.38625195 -0.19355081 Ta 0.02177851 2.07301485 2.11319599 -0.53984750 0.04294722 -0.18964491 Ta 4.12863950 0.00380919 0.03616255 0.06880042 0.76833142 0.76142470 Ta 6.25452177 2.05356021 0.00202006 0.06136643 0.23836781 -0.16135118 Ta 6.24914490 0.01067067 2.06570257 0.04486428 -0.25413701 0.17379710 Ta 4.20840348 2.10873494 2.11096004 0.01123064 -0.76354277 -0.64794468 Ta 8.38289205 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