256 Lattice="16.753098153476458 0.0 0.0 0.0 16.753098153476458 0.0 0.0 0.0 16.753098153476458" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2747.6174573711182 stress="-0.004902203962917387 0.0001427429903782721 -3.266401590940183e-05 0.0001427429903782721 -0.004780454418228459 -4.452971429722128e-06 -3.266401590940183e-05 -4.452971429722128e-06 -0.004758716420570693" free_energy=-2747.6174573711182 pbc="F F F" Ta 0.01489909 0.02696930 0.03796038 0.81173248 0.76568014 0.80398484 Ta 2.11504124 2.10047533 0.01593553 -0.18597445 -0.15604917 -0.37820087 Ta 2.15351002 0.01622081 2.13539887 -0.30174424 -0.46956300 -0.28392934 Ta 0.02144602 2.13064339 2.09494515 -0.42818593 -0.26838422 -0.08207479 Ta 4.16885542 0.02021331 0.01351641 0.07407213 0.68565926 0.69971839 Ta 6.22913917 2.05544320 0.01465938 0.21280595 0.17513662 -0.35130355 Ta 6.21734450 0.02115540 2.11517310 0.11084151 -0.57290076 -0.09381178 Ta 4.18517996 2.12759590 2.10188748 0.04568394 -0.84084674 -0.59074403 Ta 8.33406979 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10.50084319 6.33236502 12.54522280 -0.34195453 -0.43273705 0.78353948 Ta 10.40848934 4.15486379 14.68656330 0.16293900 0.32054718 -0.31963309 Ta 8.32755545 6.25766607 14.65707028 0.04817698 0.13082194 -0.05527422 Ta 12.59917942 4.18185644 12.59632420 0.43649302 0.44639758 0.74180375 Ta 14.65828084 6.28654198 12.57400213 0.09757526 -0.16682621 0.10960645 Ta 14.66364077 4.15740131 14.66155435 -1.00511984 0.22611506 -0.83785399 Ta 12.53096259 6.33774660 14.67890058 0.14506622 -0.22271854 0.02301255 Ta 0.02151108 8.38118328 12.52487712 -0.30463483 -0.00012972 0.13982340 Ta 2.11430840 10.46884284 12.58238432 -0.74394172 -0.07199583 0.66170927 Ta 2.10718508 8.34513653 14.65915907 0.22739975 -0.00935838 0.22242435 Ta 0.03352129 10.40707429 14.67142185 0.97046305 0.11727327 -0.98668557 Ta 4.18417923 8.34643191 12.56568078 -0.00320595 0.28359369 0.62500731 Ta 6.32032546 10.44129587 12.56650064 -0.64271337 0.09689824 0.53221174 Ta 6.22116376 8.41403797 14.63022438 0.14281010 -0.23008686 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0.26685082 0.37655922 0.91619150 Ta 6.24750057 14.67708411 12.52819869 0.17602780 0.28010236 0.06050220 Ta 6.26730542 12.62707502 14.63903796 0.16797210 -0.12904318 0.07565971 Ta 4.20195729 14.63617639 14.64126129 0.13109427 -0.56134408 -0.66256176 Ta 8.39116670 12.55345337 12.53197597 -0.20602523 0.81531175 0.98460705 Ta 10.49507090 14.61861914 12.55050585 -0.07880321 0.52171924 -0.08091830 Ta 10.44220120 12.53844594 14.63068679 -0.06897283 0.15633907 0.55150778 Ta 8.41684275 14.67722508 14.61952608 -0.16664770 -0.92241740 -0.92537700 Ta 12.55113474 12.52751084 12.59912615 1.07781077 1.46925147 0.46184512 Ta 14.69060725 14.64951284 12.59907140 -1.06364567 -0.81800017 -0.33171591 Ta 14.66237941 12.58467552 14.62141911 -0.71112204 -0.12327976 -0.62184176 Ta 12.56317892 14.69555256 14.67475965 -0.14133379 -0.90915794 -0.88020326