108 Lattice="12.211948232075661 0.0 0.0 0.0 12.211948232075661 0.0 0.0 0.0 12.211948232075661" Properties=species:S:1:pos:R:3:forces:R:3 energy=-754.1969410059935 stress="-0.0064385060946357715 0.00010578373957311647 8.645770456497533e-05 0.00010578373957311647 -0.006178663853945918 -0.0002347094791662447 8.645770456497533e-05 -0.0002347094791662447 -0.006906474558568948" free_energy=-754.1969410059935 pbc="F F F" Ta 0.01441880 0.00085309 0.03183283 0.49483036 0.42569956 0.49954137 Ta 2.01866261 2.00441260 0.00691757 0.46887821 0.15342998 -0.59998583 Ta 2.01287586 0.04013676 2.06394763 0.46384011 -0.61865152 -0.12231291 Ta 0.03360827 2.03475288 2.00666213 -0.88444691 -0.07884515 0.51737706 Ta 4.09490724 0.01586989 0.03306471 -0.35030384 0.15269112 0.32610778 Ta 6.09035605 2.01576364 0.00411858 0.16978494 0.18765710 -0.65149957 Ta 6.07283035 0.03921037 2.07486232 0.38244040 -0.91755693 -0.21661044 Ta 4.10997647 2.06858784 2.05991979 -0.45291838 -0.13693582 -0.17121963 Ta 8.11117746 0.00454119 0.01887583 0.08275945 0.30401083 0.51119159 Ta 10.16016153 2.04255938 0.03679908 -0.58282634 0.26462462 0.21948649 Ta 10.15508259 0.04472393 2.07511537 -0.22615545 0.00720083 -0.42793914 Ta 8.11889986 2.03035198 2.00221489 0.12267135 0.19128893 0.16925782 Ta 0.04145140 4.08214920 0.03290484 -0.25547921 -0.15530511 -0.12962631 Ta 2.00205789 6.08734192 0.01876599 0.59141106 0.31053316 -0.59267774 Ta 2.01691805 4.03030135 2.00504014 0.30889141 0.15401021 0.37636849 Ta 0.03317440 6.13736436 2.02700238 -0.64289237 -0.24252929 0.29497946 Ta 4.08885036 4.04933377 0.02045410 -0.32595053 0.09865183 -0.81821910 Ta 6.09867409 6.11816251 0.01789683 -0.03949844 0.27290004 -0.79575106 Ta 6.08374055 4.09005530 2.00545782 0.24170985 -0.20618863 0.20074135 Ta 4.09554411 6.06947424 2.05677951 -0.27698826 0.33932657 -0.16886582 Ta 8.09045585 4.10923599 0.00247132 0.43585926 -0.34351894 -0.52955296 Ta 10.18983022 6.07902644 0.00674977 -0.39724721 0.24294670 0.31695509 Ta 10.17073574 4.09091405 2.03500622 0.47997660 -0.32979754 -0.12119212 Ta 8.12825726 6.10952834 2.02460631 0.18649941 0.17630796 -0.06830206 Ta 0.00462155 8.17283786 0.02351646 0.42021302 -0.23163687 0.26299617 Ta 2.06103853 10.16415481 0.00273367 -0.13841099 -0.11848196 0.17797668 Ta 2.06731664 8.17380407 2.02146783 -0.35599265 -0.20528529 0.09568450 Ta 0.00961903 10.19906277 2.01700300 0.69396838 -0.51621028 0.49707255 Ta 4.05147019 8.14719675 0.01994157 0.15179458 -0.28842661 -0.69825943 Ta 6.14302246 10.15001724 0.00248194 -0.37721186 -0.07406209 0.14765585 Ta 6.13024553 8.16748021 1.99565248 -0.20555656 -0.28352898 0.34710037 Ta 4.05136902 10.14152017 2.02642672 0.42359661 0.78515240 0.22394491 Ta 8.17569128 8.16639661 0.00711733 -0.01992735 -0.63736316 -0.76484368 Ta 10.19074932 10.15315563 0.02212981 -0.38281805 -0.31679361 0.32891352 Ta 10.17658971 8.16569714 2.01937694 0.61733820 -0.54945544 0.20935080 Ta 8.17064508 10.13608927 2.00151535 -0.15978003 0.82683800 0.36457223 Ta 0.02212699 0.00108012 4.10458940 0.00743877 0.33325472 -0.27212971 Ta 2.01151005 2.04269821 4.08788401 0.16822805 0.04890986 -0.12082806 Ta 2.00220494 0.02387628 6.12623502 0.54321884 -0.94416420 -0.33616887 Ta 0.03994857 2.02805484 6.12463062 -0.92720516 0.24118527 -0.06415447 Ta 4.07578454 0.02733142 4.06981095 -0.42436683 -0.82654328 0.18477951 Ta 6.08450787 1.99702435 4.05343699 0.39004415 0.61754787 0.31968546 Ta 6.11472428 0.01203018 6.07472044 -0.12575540 -0.48729196 0.25208081 Ta 4.01412814 2.05816170 6.07287758 0.40630016 -0.18239389 0.23698271 Ta 8.17410459 0.02222546 4.07132508 -0.24977706 -0.49250583 0.26112914 Ta 10.19744227 2.02380537 4.05385550 0.33127146 0.39083235 0.40227212 Ta 10.15096138 0.01426337 6.16173502 -0.08815111 0.41692382 -0.37882207 Ta 8.14434172 2.08387729 6.13903899 0.20626144 -0.25905796 -0.38588867 Ta 0.01245585 4.05826325 4.09292311 -0.82731105 0.03938839 -0.43005039 Ta 2.02600297 6.06783299 4.10132433 0.10363087 0.27271103 -0.41883520 Ta 2.02457508 4.10657093 6.07348022 0.22813046 -0.17868686 0.35903738 Ta 0.03153755 6.08765899 6.08216470 -0.86058294 0.35726652 0.52253672 Ta 4.10138830 4.11002035 4.06431075 -0.12732939 -0.17668577 0.05608158 Ta 6.14976266 6.07990821 4.07645718 -0.01211419 0.27055694 -0.09246468 Ta 6.08888632 4.07230162 6.12878959 0.00869943 -0.14661444 -0.08500623 Ta 4.11378229 6.14236620 6.09555440 -0.15351082 -0.21328434 0.14366562 Ta 8.16421433 4.10726599 4.04043290 -0.19590774 -0.45811593 0.12797379 Ta 10.20154922 6.08436802 4.02605214 0.62190215 0.18959565 0.04003323 Ta 10.18714142 4.10121423 6.09874100 0.69584586 -0.40995962 0.13148499 Ta 8.17311427 6.07095942 6.10357324 -0.09512926 0.00242288 -0.02676208 Ta 0.03467387 8.11652057 4.04879292 -0.38181706 0.46631768 0.16127675 Ta 2.06057106 10.17317709 4.10001024 -0.35223284 0.48132367 -0.34448196 Ta 2.05826191 8.13740713 6.16998202 -0.26216928 -0.05740176 -0.19652587 Ta 0.05421079 10.15972931 6.12801853 -0.00713696 -0.25651726 -0.29329455 Ta 4.05568579 8.10764030 4.09527373 0.22482685 0.13228293 -0.25956766 Ta 6.14342028 10.15038809 4.04340130 -0.31031959 0.50334718 0.17408553 Ta 6.15777895 8.10546083 6.12605330 -0.18947807 0.33053471 -0.32328391 Ta 4.05355943 10.13721804 6.08636841 0.29945894 0.62919984 0.13870725 Ta 8.17054578 8.14585748 4.09306480 -0.19356378 -0.19889648 -0.43629185 Ta 10.16109568 10.18375226 4.05112797 -0.01512006 -0.15424494 -0.04534381 Ta 10.13688514 8.10472932 6.04778345 0.94192608 0.33761387 0.52122168 Ta 8.18507004 10.13868570 6.07709915 -0.33296685 0.82943631 0.26551690 Ta 0.03983815 0.00657067 8.13733587 -0.23178532 0.27794195 0.07432980 Ta 2.01962990 1.99865408 8.11845393 0.20490782 0.37670407 0.35035738 Ta 2.01847474 0.00359288 10.13948158 0.38910229 0.48732811 -0.00203136 Ta 0.03523974 2.08793526 10.16257137 0.27385929 -0.36163488 -0.24137528 Ta 4.03722244 0.01254304 8.13694230 0.41669339 -0.48035394 -0.18881549 Ta 6.14920989 1.99722583 8.16461039 -0.49845408 0.09468825 -0.49252013 Ta 6.11743296 0.01883080 10.15317171 -0.21862780 -0.13487665 -0.09848650 Ta 4.10383086 2.04943695 10.16017172 -0.44426554 -0.16933601 0.56305077 Ta 8.14134174 0.00169288 8.12323187 0.03768470 -0.62454145 0.21261249 Ta 10.15906237 2.03581805 8.19829098 0.56592761 0.30790789 -0.50299435 Ta 10.19293680 0.00912664 10.15362662 -0.85189363 0.52027641 -0.61132384 Ta 8.12298262 2.00534769 10.15099549 0.54336026 0.41213519 0.75542026 Ta 0.02848291 4.04132816 8.14981809 -0.57149194 0.44262186 -0.27521261 Ta 2.05175043 6.13084689 8.15291575 -0.13026196 -0.03648617 -0.18177278 Ta 2.04376198 4.10465006 10.14615205 0.18584505 -0.19661820 0.65205275 Ta 0.03460249 6.13706408 10.15118770 0.17977818 -0.10250709 -0.16859689 Ta 4.03107200 4.01821551 8.12283636 0.30970257 0.33533531 0.08317079 Ta 6.11146313 6.13746588 8.11053110 -0.18800640 -0.34951900 0.32252321 Ta 6.12298792 4.05639662 10.14838594 -0.35257934 0.31475228 0.54569271 Ta 4.04557405 6.13660899 10.16129791 0.41915031 -0.43270084 0.58419064 Ta 8.10882504 4.05752227 8.12187327 0.47015763 0.24517070 0.25761082 Ta 10.18937589 6.13497528 8.12380913 0.32759251 -0.11993187 0.21504268 Ta 10.18681624 4.09847917 10.15358207 -0.56667545 -0.18419631 -0.30455686 Ta 8.13009768 6.07004569 10.17709133 0.21562355 0.11407546 0.38005720 Ta 0.00348279 8.17497950 8.16639174 -0.52418688 -0.32636016 -0.24541448 Ta 2.01250232 10.19339527 8.16309567 0.60190309 0.47840694 -0.19537265 Ta 2.07150505 8.17979031 10.16345046 -0.36559913 -0.10082573 0.55118781 Ta 0.02254107 10.19929200 10.15529561 0.54581798 -0.64098838 -0.38685325 Ta 4.10648658 8.13563232 8.16539027 -0.12661915 0.29522083 -0.07415268 Ta 6.09433814 10.14209830 8.11662316 0.30289914 0.63908954 0.23748554 Ta 6.13848520 8.10534064 10.18370008 -0.19436075 0.41449345 0.56164934 Ta 4.06955772 10.17605839 10.16887882 0.39338225 -0.29754096 -0.25636436 Ta 8.11246667 8.13728060 8.13779184 0.72482890 0.47964336 0.44680879 Ta 10.19063996 10.20389053 8.10980006 -1.11146173 -1.41292277 0.55521434 Ta 10.16005925 8.12142811 10.19013842 -0.78443342 0.47683056 -0.85575285 Ta 8.12321444 10.19548862 10.21607772 0.34518915 -0.83226538 -1.26592832