108 Lattice="12.039530071417714 0.0 0.0 0.0 12.039530071417714 0.0 0.0 0.0 12.039530071417714" Properties=species:S:1:pos:R:3:forces:R:3 energy=-736.063899013202 stress="-0.004410170327271161 0.0004187376721003887 1.370648993573422e-05 0.0004187376721003887 -0.00495177432950697 4.323440192969578e-06 1.370648993573422e-05 4.323440192969578e-06 -0.004119522719323152" free_energy=-736.063899013202 pbc="F F F" Ta 0.01782555 0.03334736 0.01574678 0.49692989 0.51975267 0.63028523 Ta 1.99387594 1.99956382 0.02839232 0.18568692 0.36143452 -0.36091029 Ta 1.99385664 0.02492619 2.03477916 0.29399328 -0.46324109 0.13853692 Ta 0.02295736 2.01683926 2.05986508 -0.37505990 0.29980455 -0.22366524 Ta 4.01602085 0.04675646 0.02568741 -0.21556738 -0.18610016 -0.09728226 Ta 5.99442886 2.01236802 0.02123875 0.28083540 0.39002310 -0.45306780 Ta 6.03239670 0.00127074 1.97698512 0.18638138 -0.38374298 0.57092510 Ta 3.99536068 1.94504861 1.95881143 -0.20109342 0.31016269 0.25490696 Ta 8.02097677 0.01392774 0.03378000 -0.35734698 0.23185673 0.11067975 Ta 9.98802480 2.01093302 0.01275036 0.03392608 0.29757110 0.23081447 Ta 10.03339282 0.00800652 2.03356762 -0.27230566 0.18829892 0.32995334 Ta 8.03815927 2.02176454 1.98116388 0.05056870 -0.20098042 0.28759709 Ta 0.03361579 4.04358386 0.03897940 0.12355198 -0.27089978 0.06756192 Ta 2.01746893 6.03607148 0.01855534 0.19017363 0.10763471 -0.41723690 Ta 2.01138316 4.03927385 2.01767571 -0.04848613 -0.51442894 -0.27145259 Ta 0.02431290 5.97976388 2.01294629 -0.42900962 0.47570692 0.28168980 Ta 3.99086605 4.04742394 0.01843978 -0.22985947 -0.35363409 -0.54230546 Ta 5.98414447 5.98002921 0.03294147 0.37433393 0.11036355 -0.63479594 Ta 5.98085029 4.01354999 2.03674018 0.40218494 -0.28428966 -0.46392608 Ta 4.01602608 6.00243237 2.03159045 -0.21937356 0.44614668 -0.24996828 Ta 8.05907042 3.97724108 0.03785930 -0.49185480 0.18291834 -0.44457553 Ta 10.00906252 6.03000317 0.03149699 -0.07495743 0.15194449 0.12607624 Ta 10.03265229 4.04805907 2.01349047 0.44824178 -0.21947880 0.30388674 Ta 8.00515698 6.03822722 1.99865980 0.22037316 0.16628920 -0.18219414 Ta 0.03836040 8.02781622 0.02303294 0.14640511 -0.51832594 0.18658266 Ta 1.97091899 10.06369417 0.03166599 0.67826416 -0.26348338 0.12366285 Ta 2.03342867 8.07063042 1.98801656 -0.32880241 -0.16520226 0.22034835 Ta 0.00553342 10.04325926 1.96889559 0.19759771 -0.23300928 0.72668368 Ta 4.02566016 7.99268547 0.03528583 -0.20066559 0.10697266 -0.57992749 Ta 6.05033302 10.05842679 0.00760549 0.06694507 -0.15786784 0.19301459 Ta 5.98433160 8.07150951 1.97214812 0.41530271 -0.09393725 0.11139605 Ta 4.02292585 10.00605813 2.02898954 -0.12084537 0.64959563 0.15714800 Ta 8.02345052 8.01679941 0.02320208 -0.22995489 -0.05851292 -0.24185955 Ta 10.04225375 10.02482793 0.00933482 -0.67956762 -0.58790975 0.61116091 Ta 10.06485110 8.05636397 2.02400564 0.15970554 -0.29038507 0.16319378 Ta 8.02641185 10.04092752 2.03320904 -0.07515957 0.14650188 0.02574551 Ta 0.03420826 0.05832103 3.99117251 -0.09294279 -0.12171003 0.01084731 Ta 1.97279292 2.01267441 4.04420895 0.38912279 -0.15220174 -0.27232797 Ta 2.03505967 0.03076631 6.00419317 0.06318026 -0.56785512 0.24661276 Ta 0.00193282 2.00718279 5.99396085 -0.56996287 0.07939731 0.30969010 Ta 4.03289117 0.03036353 4.03395493 -0.27361824 -0.55593804 -0.41589385 Ta 6.00361026 2.02346748 3.99107657 0.45638546 -0.44203296 -0.16518852 Ta 5.98796787 0.01374905 5.98052725 0.20664251 -0.62921280 0.25477764 Ta 4.04169374 1.98660496 6.03067303 -0.27665768 0.14191871 0.24135306 Ta 8.06167235 0.03549431 4.05205295 -0.46808742 -0.44283397 -0.31950585 Ta 10.05695662 1.97457696 4.01023549 0.25357320 0.62247838 -0.15487923 Ta 10.07231111 0.03752432 5.99147892 -0.10105635 0.09672082 0.29354800 Ta 8.02828489 1.96886595 6.05439585 0.17213776 0.13749372 -0.07485157 Ta 0.03519439 3.97401917 3.99708791 -0.82712062 0.10745283 0.02352225 Ta 1.98805252 5.98416760 4.02898122 -0.32373326 0.44374319 -0.26337684 Ta 1.97122001 4.02706291 6.01111247 0.01355301 -0.42242143 0.30326953 Ta 0.01429119 6.02553593 6.05718951 -0.64148254 0.02396827 -0.15309005 Ta 4.01156368 3.98260145 3.99868458 -0.25472415 -0.15312826 -0.00731746 Ta 6.04708394 6.03820643 4.04640633 0.08537475 0.25992854 -0.35041735 Ta 6.06214337 4.05298652 6.00161455 -0.00268040 -0.51575901 0.42014639 Ta 3.97329901 6.01161487 6.02450123 0.08090234 0.03973437 0.12997027 Ta 8.02336441 4.04863895 4.01636747 0.53528173 -0.54840192 -0.26541777 Ta 9.99948631 6.05879909 4.01376489 0.65951465 -0.12851540 -0.08184367 Ta 10.01139930 4.00433564 6.05573544 0.54339486 -0.29329033 -0.20984622 Ta 8.04722426 6.01495435 6.04232814 0.32227352 0.46199399 0.12438501 Ta 0.02264009 8.05375877 4.04431962 -0.26482234 -0.31935435 -0.32401239 Ta 1.99958749 10.07079732 4.04218031 0.23089835 0.27894041 -0.31624215 Ta 2.04249277 8.00943654 6.02819617 -0.32080184 0.51126598 0.04642498 Ta 0.02167832 10.01923864 5.99214508 0.13076355 -0.04203730 0.31811767 Ta 4.00854960 8.00024445 4.00454274 -0.21121933 0.57466452 -0.12210065 Ta 6.07678573 10.04065982 4.00730292 -0.06506234 0.40255234 -0.08736067 Ta 5.99656281 8.04592618 6.03591734 0.30179639 0.31419436 0.00925606 Ta 4.04779161 10.03332836 5.99068026 -0.20977782 0.54979488 0.18800898 Ta 8.06339890 8.02136972 4.03384566 -0.12131915 0.28708028 -0.41141384 Ta 10.02528011 10.05895785 4.00701623 -0.17567778 -0.15671189 -0.11167099 Ta 10.03333722 8.03979601 5.98743261 0.53315796 -0.12865335 0.28122117 Ta 8.04501007 10.00819933 6.00176715 -0.27898978 0.57443085 0.13070262 Ta 0.00487790 0.00737981 8.05438122 0.15096932 0.24120619 -0.64894809 Ta 1.96955449 1.98855608 8.00115482 0.37947746 0.12967846 0.19014378 Ta 1.98514008 0.02655839 9.99412515 0.58415127 0.20139529 -0.08110316 Ta 0.03351545 2.03579137 9.97642137 0.05733977 0.39911280 0.08704957 Ta 4.03016908 0.03770759 8.04627421 -0.09046883 -0.41376954 -0.19103593 Ta 6.02859932 2.00799543 8.03860733 0.14599303 -0.27456603 0.12521850 Ta 6.01069851 0.01078945 10.06289591 0.16730071 0.13611721 -0.17474509 Ta 4.04077945 2.01099829 10.07238105 -0.28848642 0.13532224 0.21021622 Ta 8.00295242 0.01830839 8.01045570 -0.17133338 -0.39655243 -0.21531854 Ta 10.03512045 1.98928728 8.05247119 0.22495320 0.28772999 -0.26146485 Ta 10.00649230 0.02547846 10.00842930 -0.52828213 0.44210590 -0.43173077 Ta 8.00077027 1.98491813 10.04137852 -0.15681893 0.26586821 0.23042566 Ta 0.02501442 3.97653752 8.03104656 -0.46886144 0.08604167 -0.16755839 Ta 1.99243846 6.01068983 8.00333335 -0.21576929 0.07916729 0.55386146 Ta 2.03340344 4.02473239 10.07071045 0.17945315 -0.13661458 0.18594031 Ta 0.00048387 5.99280720 10.04746668 0.27168911 0.13174190 -0.41258593 Ta 4.03984538 4.00998864 8.05471015 -0.37890689 -0.19866418 0.09928371 Ta 6.04105988 6.08726665 7.98716707 0.19751423 -0.24955704 0.62874985 Ta 6.02425403 3.99917148 9.99797292 0.09870344 0.14621557 0.62069482 Ta 3.98509029 6.05964274 10.00698495 0.23635012 -0.10558753 0.53570915 Ta 8.04998531 4.00075761 8.03854046 -0.04354351 -0.16010082 0.29349679 Ta 10.01522706 6.00531506 7.99174654 0.31040543 0.36238905 0.22195256 Ta 9.99894027 4.00888010 10.04315494 -0.21853804 -0.03149553 -0.20073680 Ta 7.98138618 6.03916557 10.06868367 0.02955289 0.14460095 0.08263467 Ta 0.03039580 8.04532569 7.97921447 -0.26712798 -0.21592559 0.09842279 Ta 2.00870689 10.04653939 8.05454160 0.30939708 0.14279334 -0.44446290 Ta 2.01578965 7.99933358 10.05163497 0.05382153 -0.04468022 0.08134977 Ta 0.00696701 10.02058951 10.00691255 0.55503633 -0.58628999 -0.49894787 Ta 4.02202751 8.00537365 8.01036701 -0.30676680 0.64675504 0.37400757 Ta 6.05653848 10.06337022 8.04698012 -0.17585918 0.31662277 -0.41427484 Ta 6.00289151 8.05758641 10.02467515 0.06624771 -0.21156791 0.37031012 Ta 4.01176456 10.03427533 10.03428177 -0.08082691 -0.25081792 -0.20513265 Ta 8.02323025 8.09118862 8.02389847 0.33137831 -0.28951107 0.25802106 Ta 9.99974135 10.04037537 8.03511764 -0.18660570 -0.24623206 -0.36833553 Ta 10.05659630 8.01146507 10.06335643 -0.50357775 -0.34972150 -0.43712631 Ta 7.98924545 10.06953173 10.00297111 -0.16766891 -0.31845455 -0.00775984