256 Lattice="16.015249512046243 0.0 0.0 0.0 16.015249512046243 0.0 0.0 0.0 16.015249512046243" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1797.002265300407 stress="-0.007752905034542866 -0.0003127243916561336 -3.74762431074576e-05 -0.0003127243916561336 -0.00778978847250105 3.7538092740335274e-05 -3.74762431074576e-05 3.7538092740335274e-05 -0.007819300976146833" free_energy=-1797.002265300407 pbc="F F F" Ta 0.03153097 0.00686130 0.01047584 1.82144598 1.77558797 1.71251055 Ta 1.98222957 1.97982690 0.00272417 -0.38657460 -0.39551707 -0.21573526 Ta 1.98544396 0.03831878 2.03162512 -0.32857430 -0.42098086 -0.57446222 Ta 0.00275458 2.02278983 1.98229033 -0.37462698 -0.56382016 -0.29318386 Ta 4.01265846 0.02599586 0.01696891 -0.07170575 1.10973992 1.02099946 Ta 6.04187314 2.02248486 0.00754511 -0.13170927 -0.33271113 -0.35472218 Ta 6.00096215 0.01810329 2.00136149 0.06452578 -0.48524724 -0.39203093 Ta 4.01809610 2.02045174 2.03492524 -0.46839035 -0.96139018 -0.91632726 Ta 7.96570644 0.00090762 0.00140873 -0.02761754 0.98343317 1.08293994 Ta 10.02972925 1.96544954 0.01550710 -0.12613237 -0.28321656 -0.56756029 Ta 9.97681789 0.02925304 2.03564121 0.27681579 -0.62552941 -0.60347051 Ta 8.02343430 2.00813098 2.00595975 -0.11143348 -0.39633844 -0.43491469 Ta 11.99272520 0.03950750 0.02883888 0.29377327 0.99265473 1.21450531 Ta 14.01861029 1.97770163 0.02323163 -1.29970688 0.05322121 1.15438330 Ta 14.01017608 0.03477916 2.00056996 -1.12263686 1.30046655 0.06795768 Ta 12.03883840 2.02888423 1.97386362 0.24258248 -0.77371542 -0.34999033 Ta 0.00715274 4.01791001 0.03371908 0.99010599 -0.04940823 0.73090089 Ta 2.03053720 5.99133472 0.02651102 -0.47423597 0.24762843 -0.57087689 Ta 1.99147160 4.04200710 1.99360295 -0.36942691 -0.40900962 -0.12081087 Ta 0.00493912 6.00540751 1.96872793 -0.49408769 0.15746918 -0.25286066 Ta 3.94209449 3.99930414 0.03936141 0.14840787 -0.10167091 -0.52574260 Ta 6.00941778 6.01395697 0.00201478 -0.17292448 -0.41524013 -0.58115305 Ta 5.97171591 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0.00243603 0.03520565 4.05206294 0.93098153 0.97994749 -0.06719839 Ta 1.97829341 2.00963669 4.01261257 -0.21099706 -0.71386810 -0.30776798 Ta 2.02699927 0.03003264 6.06636645 -0.49344806 -0.55184077 -0.19815668 Ta 0.02341470 2.02689098 5.97636795 -0.69485812 -0.63950960 0.41185467 Ta 4.02818255 0.02110823 4.03025379 -0.29796776 -0.58992624 -0.23575607 Ta 6.02024600 2.00447516 3.96144511 0.14437204 -0.21417966 0.31250649 Ta 6.04337891 0.02529986 5.94886041 -0.15798354 -0.44753457 0.19763680 Ta 4.00747720 2.01639017 5.97515768 -0.03729270 -0.31464378 0.21372433 Ta 8.01678250 0.00967655 3.97866028 -0.08290668 -0.78416871 0.08958541 Ta 10.03651401 1.96737152 4.02293904 0.02813486 0.33412318 -0.47889296 Ta 10.05655097 0.01098390 5.98876175 -0.19744584 -0.77998340 -0.00368690 Ta 8.06992679 2.02382929 5.94812172 -0.60634695 -0.17868430 0.15551999 Ta 12.02453163 0.00514038 3.99760843 0.46433986 -0.57206385 -0.37639977 Ta 13.98672253 2.02395743 4.03516523 0.77425866 -0.54099575 -0.30077375 Ta 14.03932882 0.01450873 5.95962925 -0.93760957 0.90819347 0.03761087 Ta 12.03849650 1.96428362 5.96604167 0.03983790 0.27094947 0.56372047 Ta 0.02457683 3.98658110 4.00158805 -0.89210994 0.19798108 -0.36210957 Ta 1.94849580 6.04290179 4.01650448 0.34140813 -0.32805656 -0.22575752 Ta 1.95639380 3.98262961 5.96986852 0.26672579 0.23572735 0.34859109 Ta 0.02119480 6.05259817 6.04360981 -0.69665199 -0.19797304 0.07212681 Ta 3.98975957 3.96775517 3.93997454 -0.39734609 0.43293967 0.55465310 Ta 5.97160619 5.97674903 4.03089339 0.16593044 0.58938973 -0.14006951 Ta 5.95675220 4.01939234 5.96774592 0.38792594 -0.49798334 0.19802928 Ta 3.99532239 6.01066435 6.01052459 -0.37004265 0.08004806 -0.38961947 Ta 7.96954564 4.03870926 3.97880869 0.36817165 -0.13003142 -0.12123006 Ta 10.01379671 5.99901193 4.04163024 0.30385365 -0.06196101 -0.45546615 Ta 9.98448411 4.02520709 5.99382570 0.58978440 -0.35868740 0.11252459 Ta 8.02409913 5.94051364 6.03505623 -0.55397861 0.37690122 -0.15061669 Ta 12.00095095 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