32 Lattice="7.816594765664874 0.0 0.0 0.0 7.816594765664874 0.0 0.0 0.0 7.816594765664874" Properties=species:S:1:pos:R:3:forces:R:3 energy=-200.02884750816946 stress="-0.008213529438333386 0.00032967188664056383 0.002462165876173167 0.00032967188664056383 -0.007811182583690488 -0.0003700034885773837 0.002462165876173167 -0.0003700034885773837 -0.006596704660981616" free_energy=-200.02884750816946 pbc="F F F" Ta 0.00252922 0.02895488 0.02773350 0.32099507 0.18220662 0.29082662 Ta 1.92493258 1.97209712 0.01980466 0.68625340 0.34506728 -0.92584487 Ta 1.94726438 0.01792753 1.97057625 0.47061858 -0.79096128 0.30145733 Ta 0.02126130 1.95869349 1.93324576 -0.91404107 0.62571933 0.75371439 Ta 3.88276574 0.01014453 0.03504353 -0.73983257 -0.27921330 -0.24990373 Ta 5.82829142 1.92207330 0.02573917 0.20665594 0.83449097 -0.29101605 Ta 5.85075555 0.00030442 1.93393164 0.21874468 -0.26749394 0.81700377 Ta 3.93819432 1.93313545 1.94598785 -0.55205045 0.32054044 0.08399171 Ta 0.01287366 3.94084072 0.00193260 -0.29383809 -0.71075356 -0.21078318 Ta 1.92026907 5.85221068 0.00467977 0.70665477 0.36237779 -0.21714266 Ta 1.94117743 3.92633194 1.91984196 0.13262688 -0.20629458 0.58247164 Ta 0.01495899 5.86315889 1.97299497 -0.19956929 0.16167866 0.69296983 Ta 3.87491138 3.94724011 0.03029552 -0.13327902 -0.62745664 -0.91778255 Ta 5.85775591 5.89414491 0.00987240 -0.36207101 -0.40246885 0.48062299 Ta 5.83189566 3.90297998 1.96490318 0.97628324 -0.25440919 0.09277368 Ta 3.90905461 5.85287320 1.94900648 -0.60427370 0.97115346 0.49107253 Ta 0.03734619 0.00885837 3.88523207 -0.19695677 -0.16035580 -0.58937852 Ta 1.97219299 1.97185647 3.93464824 -0.10540921 0.11855378 -0.40446219 Ta 1.95029307 0.03462630 5.85954998 0.74091469 -0.17870643 0.15885598 Ta 0.00311014 1.91655857 5.85184569 -0.20246500 0.74108507 0.12217719 Ta 3.89418959 0.02758852 3.89669960 -0.28755323 -0.87003023 -0.28849683 Ta 5.84933234 1.96592485 3.89073673 0.91760934 0.32298318 -0.28420460 Ta 5.87873086 0.03391721 5.84424458 -0.36318868 0.32388051 -0.37496803 Ta 3.93352557 1.97528093 5.84735478 -0.32133229 0.35623946 0.87402682 Ta 0.01798852 3.93130635 3.94737368 -0.79264902 -0.67602345 -0.61181411 Ta 1.93443368 5.86111331 3.93737296 0.81907781 0.69894307 -0.62554960 Ta 1.96924174 3.89166608 5.86468114 0.35054458 -0.27048311 0.91051807 Ta 0.03367498 5.89590118 5.82574982 0.22066259 -0.24256063 -0.15280507 Ta 3.91307747 3.89189852 3.87938234 -0.12148387 0.22877576 0.15679942 Ta 5.84930254 5.89320956 3.87004500 0.15350383 -0.01161046 -0.52878659 Ta 5.88463126 3.93916642 5.88792258 0.04228860 -0.69856179 -0.19119164 Ta 3.94654174 5.85386504 5.84081035 -0.77344074 0.05368787 0.05484826