108 Lattice="12.039533701508784 0.0 0.0 0.0 12.039533701508784 0.0 0.0 0.0 12.039533701508784" Properties=species:S:1:pos:R:3:forces:R:3 energy=-735.9748484743798 stress="-0.004189999068943253 0.0007638443038801944 0.00038268202206360807 0.0007638443038801944 -0.00443609816346014 -0.0002756078229782785 0.00038268202206360807 -0.0002756078229782785 -0.004362549656768797" pbc="F F F" Ta 0.02601586 0.03033098 0.01329753 0.49644918 0.57739462 0.56365683 Ta 2.00223598 2.03151744 0.02697433 0.35236365 -0.12791820 -0.39745472 Ta 1.97844374 0.03314555 2.03692050 0.58237351 -0.42363388 -0.12211184 Ta 0.01537036 1.98265146 2.03759846 -0.35370622 0.51675242 0.13957408 Ta 4.04376667 0.03113594 0.00759460 -0.26851984 0.16945844 0.13419482 Ta 6.01556242 2.03946359 0.01014130 0.16817453 0.19217885 -0.35647650 Ta 6.02849740 0.00295382 1.97887882 0.10821524 -0.33965877 0.38654483 Ta 4.00965244 1.97766078 2.01755052 0.00970968 -0.01451607 -0.20898363 Ta 8.02055774 0.01777948 0.00032275 -0.37604007 0.33612969 0.33830087 Ta 10.02122711 1.97597623 0.00805247 -0.20778780 0.50188681 0.39610536 Ta 10.07122394 0.02699366 2.04386952 -0.40819347 0.15804181 0.25985821 Ta 8.01787061 2.00981600 2.04568757 0.21916280 -0.24875210 -0.37407702 Ta 0.05838296 3.97424659 0.03027649 -0.08556010 -0.09672783 0.01394357 Ta 2.02185126 5.99212065 0.01004681 0.18131523 0.13311302 -0.62410082 Ta 2.01177801 3.99595544 1.97419331 -0.13961085 -0.09906658 0.36631052 Ta 0.02493961 5.98691553 1.97593752 -0.37064318 0.27419003 0.42871226 Ta 3.98003963 4.00399115 0.01655884 0.06854698 -0.11604358 -0.51830001 Ta 6.04680735 5.99128362 0.02025230 -0.06096858 0.17498919 -0.61232080 Ta 6.02205299 4.04369783 2.00733882 0.00081323 -0.33507931 -0.36249987 Ta 3.97704547 6.04130147 2.03186857 0.12338200 0.08165834 -0.55293096 Ta 8.05915537 3.97792383 0.02252080 -0.30094106 -0.10851119 -0.36675151 Ta 10.00507466 5.99038054 0.03737315 -0.21370527 0.27893784 0.08422533 Ta 10.00464687 4.04267857 2.01248308 0.43273002 -0.28494149 0.31810682 Ta 7.98903225 6.03744405 2.03664024 0.59978238 0.09998550 -0.43543087 Ta 0.03831286 7.99331583 0.02184001 0.20910719 -0.21458173 0.10126322 Ta 2.04478606 10.01717530 0.00188907 0.14985425 -0.08500578 0.16433107 Ta 2.01963953 8.00229379 1.95592556 -0.46463785 0.33634093 0.20485670 Ta 0.02966739 10.04269099 2.00397814 0.32534374 -0.32099112 0.28867403 Ta 3.99141413 8.05873581 0.01976600 0.19842675 -0.53744311 -0.53238358 Ta 6.02436316 10.03750925 0.00194029 0.04296748 -0.15574705 0.16067289 Ta 6.05484052 8.01891372 2.00619386 -0.27181285 0.32478704 -0.30803624 Ta 4.00176138 10.01972550 1.97141196 0.10434705 0.36814548 0.51016690 Ta 8.03504120 8.05847102 0.00701083 -0.23387879 -0.41220818 -0.24348234 Ta 10.02059402 10.01693223 0.01768746 -0.43473838 -0.32346615 0.39970382 Ta 10.04916309 8.06218095 1.96674514 0.23810530 -0.45805809 0.31662766 Ta 8.03575679 10.03289593 1.98308299 -0.23554597 0.39487866 0.37169907 Ta 0.05305910 0.04271221 3.96693904 -0.10723646 -0.13381623 0.11606143 Ta 2.04238088 1.98596496 4.03584322 -0.42655510 0.11665857 -0.28827005 Ta 1.99710625 0.02268176 6.01760801 0.14736142 -0.62761712 0.14388463 Ta 0.00847156 2.01830989 5.97453649 -0.37442752 0.16056016 0.12739356 Ta 4.00822826 0.03560601 4.02881365 0.10117234 -0.71104368 -0.09574483 Ta 6.04372910 2.02921636 4.03291325 -0.18327027 -0.54040728 -0.19299645 Ta 6.01316349 0.00621968 6.06982241 0.12982553 -0.47236553 -0.07499448 Ta 3.98277516 2.02059567 6.02091940 0.10371005 -0.29965305 0.10628580 Ta 8.02480245 0.02258134 4.03412234 -0.16924817 -0.41849207 -0.04301595 Ta 10.04891536 1.99294571 3.99222331 0.25816332 0.43092311 0.12954377 Ta 10.06892240 0.03969404 6.03391249 -0.30914756 0.15530989 0.04313100 Ta 8.01718523 2.03853595 6.02310391 0.33843985 -0.32812199 0.24600664 Ta 0.01595059 4.03527230 3.98118840 -0.47552150 -0.22834073 -0.14164359 Ta 1.99980402 6.08264044 4.04852458 -0.49610708 -0.18661276 -0.65121558 Ta 1.97705242 4.05185027 5.98484613 -0.08367205 -0.35451814 0.38251536 Ta 0.02119366 6.01058061 6.00317231 -0.67154889 0.08027872 0.30010714 Ta 4.00640371 4.02500067 4.01353477 -0.22745554 -0.24927853 -0.28202972 Ta 6.00524431 6.02757298 4.03256459 0.20848479 0.36464900 -0.31778673 Ta 5.99780699 4.05132289 6.03460297 0.26574952 -0.44777037 0.13170611 Ta 3.99450306 6.04037596 6.00984313 -0.16069676 0.01995709 0.34786077 Ta 7.98898053 4.01082899 4.00879532 0.69503301 -0.16088386 -0.15869281 Ta 10.00389093 6.06315723 4.02369392 0.61604370 -0.05891377 -0.19147476 Ta 10.01784544 4.03957921 6.03864157 0.58221869 -0.20467530 -0.16869567 Ta 7.99971817 5.98567494 6.00378721 0.54897108 0.45160054 0.14438943 Ta 0.00739830 8.04583295 4.05149627 -0.29550819 -0.13119054 -0.28242001 Ta 2.03105899 10.01875537 3.98172399 0.00169135 0.31941494 0.12544892 Ta 2.01327681 8.00275508 6.03690792 -0.24473191 0.55733731 0.32377983 Ta 0.02003085 10.06069199 6.07587741 0.21047356 -0.17485568 -0.07178136 Ta 3.94824735 8.00443679 4.01614734 0.29498793 0.68909435 -0.36150151 Ta 6.03954375 10.01012822 4.02418925 -0.09315040 0.40165788 -0.25909293 Ta 5.98047709 7.99413679 6.05381277 0.63149136 0.56912893 -0.17845339 Ta 4.04125558 10.01039234 5.99755963 -0.15389155 0.53268241 0.09815959 Ta 8.06240136 8.04922916 3.94608356 0.15499452 0.21886741 0.32809897 Ta 10.06075627 10.05756582 4.00120274 -0.24245104 -0.40166928 -0.06054496 Ta 10.02497595 7.97276446 6.06414846 0.47745142 0.26332626 -0.29215168 Ta 8.04778729 10.00244528 5.98687640 -0.28520945 0.29597090 0.23099053 Ta 0.00243968 0.02884945 8.04827264 0.21035906 0.26067951 -0.54327580 Ta 2.03286229 1.97278587 7.99627506 -0.25927116 0.28078119 0.27563030 Ta 2.02340377 0.03492520 10.00289986 0.43410475 0.08984486 -0.12905435 Ta 0.02732658 1.97012910 10.03057460 0.27693214 0.57835714 -0.18169206 Ta 4.02185609 0.01606681 8.02060889 -0.06507221 -0.43576327 -0.05103770 Ta 5.99160206 2.01522013 8.03302960 0.28177332 -0.19196761 0.20639901 Ta 6.03119130 0.03144729 10.05410605 0.02482479 0.30392362 -0.22895959 Ta 3.99852707 2.02149700 10.06838702 -0.14932236 0.06606806 0.24187254 Ta 8.02051317 0.01575373 8.05889504 -0.16618636 -0.26265853 -0.40730525 Ta 10.00885075 2.00480130 8.01500206 0.39616999 0.30564223 -0.05427277 Ta 10.02557245 0.01288997 10.04042485 -0.54789990 0.57682894 -0.57147858 Ta 8.04637676 2.02385236 10.00107767 -0.17957018 0.15588440 0.39044580 Ta 0.04001450 3.98523816 8.00533776 -0.37830736 -0.05167769 0.11076509 Ta 2.03397191 6.01442047 8.06279971 -0.43070893 0.17054518 0.18385545 Ta 2.01602153 4.00051244 10.05488916 0.11482955 -0.13124191 0.26348786 Ta 0.01751668 6.05970733 10.05772604 0.21905070 0.04240956 -0.31676322 Ta 4.02907070 4.01833957 8.01455791 -0.43333812 -0.13184910 0.56240250 Ta 6.05318920 6.01477072 8.00278953 -0.11555067 0.19191210 0.75933914 Ta 6.00976190 3.95126351 10.06720864 0.11034522 0.19929792 0.39909695 Ta 4.02349409 6.03461197 10.04651497 -0.00488779 0.03258600 0.50719420 Ta 8.04114129 4.03157380 8.05824091 0.18026567 -0.19847342 0.17121654 Ta 10.06364323 6.04786125 7.97680095 0.33748715 -0.22750418 0.26142663 Ta 10.05417641 4.03004328 10.07211974 -0.24817676 0.02925347 -0.39643355 Ta 8.02029396 6.04246503 9.99411078 -0.08198298 -0.13241260 0.53974710 Ta 0.03095799 8.03010854 7.99826996 -0.27175664 -0.24139038 -0.11031770 Ta 2.04325831 10.06157055 7.96948644 0.33301067 0.10609818 0.20847560 Ta 1.98139179 8.05715956 10.05746478 0.48191629 -0.23761467 0.01339709 Ta 0.02800303 10.00173010 10.00830927 0.50182484 -0.46766738 -0.68039182 Ta 4.04903781 8.01256595 8.03552381 -0.52071964 0.35292685 0.50961230 Ta 6.01359694 9.99510491 8.04985241 0.25427651 0.41214492 -0.29175972 Ta 6.05524880 8.03073714 10.05980088 0.05501148 -0.16775051 0.23582344 Ta 4.01965416 10.03169285 10.07129543 -0.13505324 -0.31739573 -0.28298284 Ta 8.08372929 7.99875441 8.01459279 -0.25181168 0.43103183 0.32421465 Ta 10.02351235 10.05413401 8.03080175 -0.29938037 -0.42447106 -0.34567437 Ta 10.04131488 7.99673985 10.06444049 -0.32676439 -0.30684884 -0.41630482 Ta 8.02337422 10.03063412 10.04651871 -0.29773533 -0.37323910 -0.30174317