32 Lattice="7.697809736663244 0.0 0.0 0.0 7.697809736663244 0.0 0.0 0.0 7.697809736663244" Properties=species:S:1:pos:R:3:forces:R:3 energy=-199.22732215346497 stress="-0.022549911598210223 -0.0006802983365300299 0.00293386255586738 -0.0006802983365300299 -0.023561448840879476 0.00415589333850839 0.00293386255586738 0.00415589333850839 -0.023663074134050832" free_energy=-199.22732215346497 pbc="F F F" Ta 0.03457448 0.00390920 0.00350919 1.04850470 1.07926600 1.08608800 Ta 1.89541895 1.93860030 0.02174490 0.22620372 -0.15750852 -2.24448895 Ta 1.89525570 0.01265802 1.91469954 0.37513987 -2.21627400 -0.08014131 Ta 0.02689279 1.88947377 1.89906058 -2.09725908 0.43639139 0.26801322 Ta 3.88210656 0.03395914 0.04192670 -0.82415512 -0.14434173 -0.24211980 Ta 5.80334341 1.89432777 0.02310641 -0.06671730 0.91428759 -0.28866761 Ta 5.78940421 0.06835247 1.90190545 0.28827225 -0.29844888 0.82549963 Ta 3.81528748 1.93574777 1.92344678 0.66076951 -0.25273284 -0.28736910 Ta 0.01332543 3.85405017 0.04827125 -0.25277736 -0.62124481 -0.32368250 Ta 1.88972313 5.76592705 0.02382903 0.92090717 0.07486745 -0.14429614 Ta 1.94982932 3.85670325 1.95901883 -0.59990324 0.00200878 -0.32066517 Ta 0.02490706 5.74045971 1.89188630 -0.29210044 0.50982472 0.84043327 Ta 3.83225804 3.85176795 0.00383833 0.45384204 0.18118653 -1.62917114 Ta 5.75474833 5.77971490 0.02657522 -1.42204903 -1.42658565 1.44580896 Ta 5.80267240 3.81521042 1.90569937 1.43414257 0.38766448 -0.08455112 Ta 3.83746155 5.78145318 1.95107817 0.65300028 1.70243858 -0.55184301 Ta 0.01578339 0.03486962 3.82910826 -0.51945140 -0.39694047 -0.29850076 Ta 1.93103987 1.86997631 3.88944952 -0.41667847 1.00603525 -0.52488744 Ta 1.93917455 0.03171133 5.72403307 0.43175147 -0.67106554 0.72117181 Ta 0.01622179 1.93472413 5.76370731 -0.15238769 0.60725046 0.10978492 Ta 3.85929594 0.03055429 3.83566674 0.38419230 -2.26929431 0.02813676 Ta 5.74943303 1.90708437 3.88041477 2.08787155 0.17869794 0.05322910 Ta 5.77248245 0.00236658 5.77802366 -1.55743028 1.39679638 -1.34036519 Ta 3.83929479 1.95686776 5.76075152 0.25910676 -0.32414384 2.19364560 Ta 0.00182815 3.85247640 3.81502002 -1.61824502 0.03804199 0.39968116 Ta 1.94729417 5.80341803 3.83654201 -0.38585583 1.73250133 0.59365508 Ta 1.90612078 3.86951074 5.75763501 0.11683895 0.31435019 1.50280867 Ta 0.02762616 5.77770741 5.78724808 1.40092444 -1.47475797 -1.48609148 Ta 3.86528415 3.84460264 3.82515938 0.07902680 0.41914893 0.64302872 Ta 5.77318774 5.74426213 3.88683573 0.02055200 0.05642167 -0.86723545 Ta 5.71363260 3.87996379 5.79265391 0.35308699 -0.69791591 0.22732827 Ta 3.88436986 5.78577677 5.78763093 -0.98912310 -0.08592518 -0.22423697