500 Lattice="20.593580446834494 0.0 0.0 0.0 20.593580446834494 0.0 0.0 0.0 20.593580446834494" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3684.544967506861 stress="0.0015627474191227276 0.00023204469373844206 0.00012729579966900298 0.00023204469373844206 0.001298513627402574 -8.513144089803726e-05 0.00012729579966900298 -8.513144089803726e-05 0.0015746212037588507" free_energy=-3684.544967506861 pbc="F F F" Ta 0.02822308 0.01653216 0.00350597 0.82648474 1.09865763 0.78217845 Ta 2.07980620 2.06230902 0.00332815 -0.26054827 -0.07858890 -0.25210775 Ta 2.02378448 0.01969198 2.03468428 0.43276649 -0.39074378 0.25839708 Ta 0.03620436 2.08091672 2.04286138 -0.31764350 -0.27455286 0.43728276 Ta 4.10803556 0.03547628 0.01441460 0.44234050 0.71510112 0.53299106 Ta 6.21609725 2.12737245 0.02704901 -0.80676273 -0.96505450 -0.42518254 Ta 6.14197973 0.01878023 2.08918672 0.13817331 -0.13710491 -0.44310548 Ta 4.10954120 2.03669949 2.07286708 -0.04966347 0.10019508 -0.51023761 Ta 8.22218984 0.01803232 0.03595597 -0.03975350 0.60481506 0.57623243 Ta 10.28984195 2.08773875 0.02685571 0.06895972 -0.70537586 -0.29336977 Ta 10.29794918 0.03955192 2.08515981 0.07511412 -0.49520737 -0.50734877 Ta 8.19371343 2.01986427 2.04078069 0.19777174 0.23626851 0.19310821 Ta 12.38835248 0.01143219 0.02449959 -0.45990106 0.77580809 0.68090514 Ta 14.40593760 2.06704072 0.02851260 -0.23824661 0.46985710 -0.16870126 Ta 14.38854510 0.03670762 2.08071455 0.04821094 -0.27313047 -0.09941721 Ta 12.32263981 2.07423200 2.07402853 0.27326728 -0.13916222 -0.15159774 Ta 16.43438879 0.03379536 0.02858223 0.17971670 0.56058295 0.72248098 Ta 18.50929882 2.06615132 0.00717407 -0.38208564 -0.38764034 0.32204411 Ta 18.54063395 0.02785128 2.04759803 -0.80424864 0.54544767 0.02359827 Ta 16.51311937 2.05789050 2.03850187 -0.32295719 -0.07774996 0.10309752 Ta 0.00974722 4.07808458 0.02936233 0.29091508 0.29543286 0.27069746 Ta 2.03586021 6.14190147 0.03327178 0.18888325 0.68983266 -0.39659260 Ta 2.02279211 4.15070632 2.00535287 0.33707111 -0.28786693 0.65997784 Ta 0.04026452 6.18046202 2.09566739 -0.58038880 -0.04593715 -0.64183080 Ta 4.08519720 4.14966838 0.01655229 0.09311234 -0.35222499 -0.33174147 Ta 6.16734117 6.12529870 0.00412415 0.47039145 0.51758347 -0.37463654 Ta 6.14670872 4.08722849 2.01626861 0.32896684 0.42683310 0.52369896 Ta 4.15510746 6.20059744 2.07582270 -0.21706429 -0.18405736 -0.22250236 Ta 8.24396274 4.08616248 0.01672384 0.16321999 0.19861330 -0.35693862 Ta 10.23543157 6.15653573 0.01442251 0.30195413 0.35376575 -0.33316642 Ta 10.31693930 4.11878047 2.06223203 -0.47386215 -0.03913788 0.20278614 Ta 8.23761158 6.20573298 2.02608737 -0.40882653 -0.32414702 0.41604318 Ta 12.28985196 4.14621932 0.04057954 0.38654893 -0.32543777 -0.55602149 Ta 14.38373400 6.13922167 0.00433290 0.77127798 0.19546605 -0.38492472 Ta 14.39271017 4.14170093 2.09549524 0.14872630 -0.31199846 -0.33213791 Ta 12.39257496 6.14434740 2.02872949 -0.38736110 0.48655017 0.38403558 Ta 16.51252015 4.08430397 0.03854706 -0.44915353 0.30698873 -0.34155052 Ta 18.50532868 6.20493142 0.00521047 -0.35021103 -0.19272056 0.36678846 Ta 18.56651894 4.07980670 2.01078247 0.45256213 0.56759126 0.28366842 Ta 16.51494789 6.15505537 2.02252020 -0.30899973 0.31110476 0.23118986 Ta 0.02718497 8.25818695 0.00271712 0.53038413 -0.35166460 0.82883051 Ta 2.04635469 10.27791919 0.02032223 0.52935120 0.07243026 -0.50300319 Ta 2.09706740 8.23348088 2.05064533 -0.43056091 0.25196478 -0.06219345 Ta 0.02137950 10.32659998 2.02293645 -0.29309539 -0.63225412 0.78817495 Ta 4.15571986 8.23586862 0.02100511 -0.63733689 -0.37102751 -0.44270887 Ta 6.12296943 10.27029178 0.00559942 0.41236298 0.38683275 -0.28668377 Ta 6.13510767 8.26962000 2.02907540 0.32274474 -0.20944922 0.09007096 Ta 4.11869148 10.34055791 2.07885910 -0.25834850 -0.16575496 -0.41068170 Ta 8.24646586 8.26578519 0.03480729 -0.50996265 -0.22795955 -0.43406343 Ta 10.27520080 10.26785557 0.03848705 0.62390184 0.20653225 -0.33305632 Ta 10.29459703 8.22698435 2.09508985 0.34398210 -0.15122946 -0.08415617 Ta 8.25768602 10.31546229 2.05120554 -0.47608403 -0.10084402 0.12528129 Ta 12.33739932 8.21169046 0.00601993 -0.24792815 -0.09968399 -0.31907310 Ta 14.41382354 10.25551996 0.04094166 -0.25167303 0.52147711 -0.62058203 Ta 14.37544955 8.22113213 2.04157496 0.48696681 -0.18935292 0.16982996 Ta 12.39612983 10.27714347 2.09454350 -0.33391561 0.19829845 -0.50480386 Ta 16.47692825 8.26325655 0.00734240 -0.38865075 -0.44433073 -0.36212526 Ta 18.53908299 10.25761883 0.00283507 -0.42354478 0.16553950 0.47357790 Ta 18.49946695 8.24962379 2.02521109 0.41208724 -0.09122892 0.62916484 Ta 16.45651027 10.29742468 2.02236523 0.07733311 -0.10544123 0.13670985 Ta 0.02703111 12.33730491 0.02263616 0.41286381 0.45151058 0.35220463 Ta 2.09537214 14.39813627 0.01822360 -0.80175102 0.33890290 -0.36961998 Ta 2.03234033 12.31375298 2.02259030 0.20355458 0.34412995 0.23262125 Ta 0.03319998 14.42883961 2.08941572 -0.19147923 -0.35334758 -0.63029666 Ta 4.10680465 12.37974135 0.00375656 0.01703624 -0.39213216 -0.42074107 Ta 6.13830545 14.44783084 0.03693038 0.19452111 -0.35506122 -0.60938349 Ta 6.15805412 12.35120506 2.05687158 0.24104612 0.09714112 -0.12979320 Ta 4.08953410 14.44039208 1.99028880 0.21911601 -0.23018557 0.61059320 Ta 8.22978286 12.31841835 0.02729802 -0.43466441 0.26063248 -0.59063898 Ta 10.29801606 14.38553552 0.02868464 0.20882436 0.46548426 -0.49175710 Ta 10.26092593 12.32841004 2.04714809 0.27842682 0.20168103 0.00507711 Ta 8.22610001 14.41165693 2.01437228 0.00492257 -0.20964508 -0.01463355 Ta 12.34081771 12.37587296 0.01445374 0.07326560 -0.71601285 -0.10436973 Ta 14.38909419 14.39080235 0.02480303 0.72593700 0.37362280 -0.04374285 Ta 14.44530112 12.33871589 2.06205901 -0.08409206 0.08186690 -0.11791389 Ta 12.36278899 14.39065279 2.07635632 -0.13405828 0.15824423 -0.11632704 Ta 16.51314335 12.32687522 0.00923660 -0.22745389 0.35084598 -0.20694625 Ta 18.52866437 14.44953009 0.01542712 -0.57690538 -0.41797587 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8.21582510 0.12953724 0.09759099 0.22091732 Ta 14.39872664 14.43040597 8.20599424 0.03090593 -0.38400613 0.20093485 Ta 14.45046271 12.31582910 10.30674448 -0.57489993 0.40755635 -0.15957200 Ta 12.34968458 14.43973122 10.26126445 0.29882925 -0.32514365 0.18627344 Ta 16.51598801 12.42236605 8.27234590 -0.32303052 -0.21374138 -0.39219629 Ta 18.50629683 14.46712246 8.25998444 0.55089435 0.04313858 -0.33980552 Ta 18.51507253 12.36961856 10.27153324 0.50438342 -0.31610958 0.36908493 Ta 16.44969474 14.38812154 10.29946679 0.33253900 0.22503066 0.09799944 Ta 0.03225264 16.47750259 8.23758435 -0.35048787 0.10795354 -0.20487974 Ta 2.07428316 18.52222019 8.27332655 -0.10905062 0.32225039 -0.53823899 Ta 2.00008168 16.43404878 10.32327632 0.23466408 0.40777489 -0.18701905 Ta 0.02528215 18.53560203 10.29450206 0.63004011 -0.64148176 0.23337808 Ta 4.11129481 16.51311469 8.28744280 0.00863696 -0.29774547 -0.24450558 Ta 6.13823240 18.51789412 8.22202890 0.17660039 0.37743345 0.11772409 Ta 6.22334769 16.49253924 10.31128027 -0.11803856 0.31534693 0.28211978 Ta 4.08067705 18.51183544 10.26519780 0.46068121 0.29983201 0.58841021 Ta 8.19083558 16.44506344 8.21100139 0.36694130 0.64417102 0.31275244 Ta 10.28051925 18.56039253 8.19267256 0.20501140 -0.26945716 0.22425805 Ta 10.28805659 16.48543932 10.27625095 -0.39370324 0.29710288 -0.02260061 Ta 8.19826024 18.57087632 10.26308729 0.66707128 -0.19649177 0.37256451 Ta 12.39406036 16.46725741 8.27633537 -0.41711179 0.51863755 -0.42502343 Ta 14.38974066 18.53265873 8.22197333 0.25906683 0.22633647 0.19674060 Ta 14.42152369 16.43616290 10.31076582 0.19253680 0.53982627 -0.01298420 Ta 12.35487660 18.49878651 10.27133551 -0.00219829 0.34828885 0.21679474 Ta 16.46777693 16.45342091 8.27499379 0.54095398 0.86116453 -0.49088641 Ta 18.56886353 18.54028045 8.23667395 -1.13059121 -1.25410780 -0.05449038 Ta 18.53206513 16.47308813 10.33379652 0.00985771 0.53653634 0.18691256 Ta 16.47826894 18.53605733 10.25588688 0.54555126 -0.15620719 0.78955053 Ta 0.00579055 0.00502352 12.37030990 1.08839307 1.44942041 -0.09032101 Ta 2.08144683 2.09189400 12.33282898 -0.50955945 -0.70598014 0.30166313 Ta 2.08535413 0.04379586 14.42710466 -0.52430053 -0.23203278 -0.50075244 Ta 0.02073436 2.08681574 14.45571040 -0.15708654 -0.28525113 -0.48702103 Ta 4.17234831 0.03850847 12.37487474 -0.32180650 -0.40150387 0.08654903 Ta 6.21958651 2.02101920 12.31142192 -0.24907866 0.60211510 0.59407767 Ta 6.19385047 0.00695236 14.46234433 0.00110993 -0.39415386 -0.22696462 Ta 4.15029223 2.02338900 14.43739838 0.01808143 0.38109901 -0.23212494 Ta 8.20133845 0.02698086 12.39663865 0.56985303 -0.21799058 -0.70773401 Ta 10.31268041 2.09075968 12.31964183 -0.41530896 -0.50518997 0.10599367 Ta 10.26817734 0.02869543 14.41321397 0.21571614 -0.33018511 -0.04020643 Ta 8.25289846 2.10583190 14.39304778 -0.23890344 -0.09484133 0.08981976 Ta 12.33759988 0.02589597 12.39369436 0.51570929 -0.22894665 -0.31522633 Ta 14.43394163 2.10259141 12.32422314 -0.24204511 -0.62221993 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