108 Lattice="12.211948259579636 0.0 0.0 0.0 12.211948259579636 0.0 0.0 0.0 12.211948259579636" Properties=species:S:1:pos:R:3:forces:R:3 energy=-754.0736245828989 stress="-0.004240396161841289 -0.0011545931319921995 -0.0005667061244171724 -0.0011545931319921995 -0.005284626775010651 -0.0010069472934796033 -0.0005667061244171724 -0.0010069472934796033 -0.004772575301303995" free_energy=-754.0736245828989 pbc="F F F" Ta 0.02062033 0.01011682 0.02638679 0.50165594 0.50401495 0.44086336 Ta 2.06043279 2.00710378 0.02922859 -0.36272910 0.66226457 -0.57392654 Ta 2.02361017 0.00054781 2.02472304 0.23428392 -0.74935385 0.25458672 Ta 0.02537017 2.02989979 2.01734791 -0.47610192 0.19888602 0.16227646 Ta 4.07938926 0.06290949 0.04010804 0.08806501 -0.29421665 -0.17256430 Ta 6.13622697 2.02526164 0.00641394 -0.34325693 0.46977784 -0.61575132 Ta 6.11393185 0.00438441 2.00861281 -0.18832198 -0.60450265 0.58596361 Ta 4.05066237 1.99531209 2.06470902 0.19515020 0.46790586 -0.12465720 Ta 8.11090887 0.02074692 0.02574770 0.61549722 0.05769649 0.18106308 Ta 10.21259834 2.01318803 0.00955253 -0.91016857 0.34036207 0.51960808 Ta 10.19108077 0.01889455 2.06924825 -0.38467024 0.34105586 -0.34078994 Ta 8.11316342 1.99789150 2.00003202 0.40000084 0.38726721 0.28859374 Ta 0.02137961 4.11027782 0.03875859 0.12206925 -0.41953198 0.08562369 Ta 1.99727941 6.11492629 0.01816547 0.60124662 0.16146218 -0.84600925 Ta 2.02566747 4.12567378 2.02206731 0.19736013 -0.28540134 0.28600983 Ta 0.00395346 6.17332307 2.02067809 -0.75081311 -0.20461883 0.15171702 Ta 4.09363399 4.07240808 0.01180010 -0.25993757 -0.25703040 -0.58739324 Ta 6.07529592 6.09821167 0.02316507 0.28506475 0.10351759 -0.82280337 Ta 6.11760383 4.07463424 2.04560683 0.02106566 -0.09913723 0.04186860 Ta 4.09253610 6.10153110 1.99733810 -0.33718923 -0.06620951 0.55017066 Ta 8.14283122 4.10760906 0.03224246 0.10612952 -0.56046179 -0.59844483 Ta 10.15423014 6.07433409 0.00009326 0.02113419 0.21871695 0.47840420 Ta 10.17537278 4.03105751 2.05950199 0.45238372 0.14713041 -0.45290120 Ta 8.16713197 6.14090180 2.02506418 -0.14784568 -0.22489278 0.03969007 Ta 0.01076006 8.17919952 0.00539560 0.22115546 -0.33729611 0.00901699 Ta 2.03401303 10.18292978 0.03822344 0.29834728 -0.19370381 0.12293584 Ta 2.06360981 8.12135389 1.99806096 -0.14559231 0.22565598 0.44561848 Ta 0.01625746 10.12593658 2.02862105 0.33494213 0.11368999 0.38138156 Ta 4.08077464 8.17106130 0.03314335 -0.09553829 -0.25624923 -0.78261547 Ta 6.07824657 10.18392547 0.00679951 0.21616293 -0.48278845 0.63064193 Ta 6.11446025 8.09999171 2.06277248 -0.02905866 0.37683494 -0.27280206 Ta 4.04963305 10.14231593 2.06767269 0.14912845 0.74581656 -0.16275636 Ta 8.13432360 8.12235642 0.01968984 0.33260372 0.74102535 -0.53393632 Ta 10.20650460 10.21170431 0.01727091 -1.50258093 -1.41573767 1.32116233 Ta 10.14292747 8.14610459 2.06452226 0.77459487 0.16178003 -0.63058371 Ta 8.12138654 10.15182398 2.06177441 0.20167960 0.59542763 -0.70080400 Ta 0.01124308 0.00179298 4.03017546 0.24672755 0.27353082 0.28369016 Ta 2.06031359 1.99520882 4.07197071 -0.42526062 0.35790380 -0.09417874 Ta 2.06750363 0.01192758 6.08201041 -0.25600101 -0.74874458 0.24905855 Ta 0.01460143 2.00117274 6.13264242 -0.63714110 0.37499744 -0.53472519 Ta 4.07317292 0.01573606 4.09427356 0.35122991 -0.77950734 -0.22571228 Ta 6.11000503 2.07296073 4.08290196 0.21195930 -0.47938933 -0.22822596 Ta 6.14097262 0.03429737 6.14796384 -0.13866239 -0.82235278 -0.28812742 Ta 4.07451582 2.00144179 6.13450171 0.00306870 0.11989241 -0.01361623 Ta 8.17907421 0.00360197 4.03589580 -0.57498004 -0.52578052 0.24384805 Ta 10.14098743 2.06765631 4.04910861 0.57952325 -0.11069894 0.32605838 Ta 10.18202211 0.01944003 6.06633558 -0.49553448 0.40658748 0.30288843 Ta 8.10579799 2.01310404 6.11702989 0.43760862 0.05835428 -0.01195653 Ta 0.00313019 4.09478627 4.04681428 -0.57793309 -0.38220775 0.07367836 Ta 1.99755458 6.12910887 4.09353871 0.37531492 -0.17516636 -0.37708586 Ta 2.00135839 4.07659498 6.06616138 0.33773986 -0.16090490 0.08641044 Ta 0.03804284 6.07631591 6.14387596 -0.84321604 0.55080412 -0.34820072 Ta 4.08317347 4.00395064 4.10235825 -0.33682377 0.36399208 -0.22770853 Ta 6.07790317 6.08779245 4.04471316 0.25014757 -0.03423892 0.15812597 Ta 6.12505777 4.02661346 6.08655851 -0.09854441 0.51022264 0.29413104 Ta 4.04420016 6.12728514 6.04564904 0.39804007 -0.34698054 0.45668450 Ta 8.17565593 4.11202392 4.11046847 -0.36003828 -0.34411948 -0.28257864 Ta 10.15356511 6.05481290 4.04718132 0.92761726 0.33341203 0.20095226 Ta 10.17176301 4.07149458 6.13553980 0.78144417 -0.17643212 -0.16467415 Ta 8.17061403 6.09004608 6.14113792 -0.23976100 0.19401836 -0.22822060 Ta 0.00433443 8.15934473 4.03515164 -0.49000428 -0.19153810 0.68938672 Ta 2.04719560 10.19263295 4.10295458 -0.20827973 0.34926976 -0.26316501 Ta 2.07578159 8.11223859 6.05869526 -0.46602287 0.30309996 0.19191745 Ta 0.01753694 10.15978693 6.14055251 0.23160113 -0.27070179 -0.40240602 Ta 4.09115410 8.15811149 4.07732236 -0.10477093 -0.04339680 -0.12370422 Ta 6.07877139 10.17017625 4.04932402 0.05199916 0.68411952 0.30212168 Ta 6.13181575 8.11808766 6.09074502 -0.11118670 0.09405225 0.04401088 Ta 4.04478445 10.14622421 6.14283209 0.46354081 0.72295443 -0.34724529 Ta 8.16890893 8.15955009 4.05678131 -0.25766816 -0.31227498 0.27731683 Ta 10.14157779 10.18824559 4.06755652 0.03502021 -0.07119074 0.06753478 Ta 10.19901350 8.12186280 6.08389645 0.27759605 0.45771489 0.17596989 Ta 8.13005991 10.17296332 6.07771783 0.29280732 0.30278076 0.46275068 Ta 0.05320759 0.02231148 8.15727113 -0.01657099 0.13272001 -0.35925000 Ta 2.02243025 2.06389799 8.09710118 0.17576978 -0.14640593 0.37494823 Ta 1.99853171 0.02879892 10.15010285 0.58144804 0.36550681 -0.04916847 Ta 0.00648188 2.06391924 10.17087523 0.25098560 0.09968584 -0.44161793 Ta 4.09393555 0.01039772 8.18183901 -0.51475063 -0.50274987 -0.37095248 Ta 6.07275179 2.06316281 8.16787345 0.21304657 -0.24657013 -0.08224722 Ta 6.08027511 0.00586244 10.13610869 0.12907745 0.41004420 0.19074318 Ta 4.02326966 2.07095271 10.18943612 0.19559417 -0.27195999 0.59530114 Ta 8.14258778 0.01412720 8.17556260 0.36483080 -0.51885641 -0.19087502 Ta 10.15244895 2.03973161 8.14545532 0.61045838 -0.36349258 0.07484886 Ta 10.17708110 0.00812118 10.20398920 -0.87331932 1.00211055 -0.84404822 Ta 8.12689731 2.04664396 10.15083498 0.44776316 -0.30939241 0.62647884 Ta 0.03409720 4.10149205 8.14092694 -0.67285300 -0.28811323 -0.04780678 Ta 2.10824774 6.11537442 8.12682570 -0.18509423 -0.09383308 0.09236801 Ta 2.00578074 4.06983491 10.18148704 0.21190618 -0.04391022 0.56808500 Ta 0.05418104 6.09362664 10.15411238 0.10110774 0.40876275 -0.24358656 Ta 4.09531051 4.03007540 8.16645333 -0.22261403 0.36671482 -0.47248915 Ta 6.11704950 6.14071184 8.17171030 -0.36808411 -0.37390226 -0.39258630 Ta 6.16505794 4.03451873 10.16283440 -0.18858511 0.30475959 0.76634388 Ta 4.08565222 6.02605332 10.17700220 0.10695029 0.50644887 0.67902651 Ta 8.17598660 4.07353961 8.12371795 -0.00749044 0.18316806 0.33694232 Ta 10.20198371 6.13915971 8.10484859 0.46431511 -0.48406398 0.72687276 Ta 10.21502504 4.04642824 10.18700831 -0.89393371 0.62783512 -0.75277297 Ta 8.12127983 6.13792219 10.17632997 0.90185276 -0.70186083 0.45644112 Ta 0.03538193 8.15310383 8.11979888 -0.35966174 -0.20214122 0.39283728 Ta 2.05405129 10.16858146 8.10251626 -0.35630767 0.51949825 0.81645819 Ta 2.07423447 8.14278263 10.15201855 -0.33661477 -0.27934290 0.63102598 Ta 0.02336279 10.14044338 10.20781640 1.05618601 -0.82508825 -1.17140210 Ta 4.04913919 8.17341832 8.16852355 0.39286860 -0.46555763 -0.20640916 Ta 6.11564339 10.15778580 8.12976965 0.07531566 0.45201430 0.20704324 Ta 6.14157288 8.12192652 10.18223622 -0.45614670 0.06670877 0.61955096 Ta 4.08435119 10.10445646 10.18928580 0.10358779 0.26050103 -0.22509892 Ta 8.14563306 8.11024553 8.17709000 0.37303374 0.72223454 -0.48543326 Ta 10.20762930 10.20247358 8.14901325 -1.08677673 -0.78074535 -0.60901892 Ta 10.18027573 8.17081788 10.11904142 -0.15782121 -0.36202907 -0.05154981 Ta 8.15118762 10.14935495 10.19934555 -0.12654726 -0.21993547 -0.64246303