500 Lattice="20.445463183591528 0.0 0.0 0.0 20.445463183591528 0.0 0.0 0.0 20.445463183591528" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3633.5943057688537 stress="-0.0030650331297801254 4.293214243000068e-05 -0.00014188710104332268 4.293214243000068e-05 -0.0030785576068820338 -4.5147528910028953e-05 -0.00014188710104332268 -4.5147528910028953e-05 -0.0029920146391373926" free_energy=-3633.5943057688537 pbc="F F F" Ta 0.04060652 0.02075339 0.00491787 0.60475970 0.50212916 0.57837700 Ta 2.00590481 2.02812054 0.01182076 0.49755887 0.36258313 0.07023474 Ta 2.04012069 0.03886980 2.04627407 0.28615644 -0.23789760 0.18556506 Ta 0.05044924 2.01893480 2.02267787 -0.24331676 0.34155440 0.23851635 Ta 4.05013062 0.00589154 0.03726763 -0.10243713 0.46481987 0.28686962 Ta 6.11469755 2.11345623 0.03476196 0.01419347 -0.18434054 -0.13941196 Ta 6.09636783 0.00857388 2.05353395 0.13505603 -0.04179935 0.08914356 Ta 4.11472019 2.01791779 2.07521864 -0.38230459 0.05200701 -0.39954013 Ta 8.20563156 0.02391343 0.02551695 -0.12977000 0.42410824 0.45629049 Ta 10.21823780 2.05361959 0.04247088 0.11918606 0.20476486 -0.10459004 Ta 10.24973619 0.00197032 2.04717001 -0.20628958 -0.00430882 0.29889896 Ta 8.15237561 2.08300881 2.00824755 0.10135543 -0.37005643 0.15226310 Ta 12.28312266 0.01479249 0.03470497 -0.10022110 0.31609487 0.36085037 Ta 14.27179507 2.01763698 0.00553457 0.28082538 0.17304888 0.10535303 Ta 14.31790049 0.01953405 2.08480174 0.00777698 -0.18940343 -0.15648214 Ta 12.24135330 2.01682161 2.07148896 0.21735981 0.05912638 -0.37676884 Ta 16.37876060 0.01337340 0.00524987 -0.50282806 0.48782784 0.50254460 Ta 18.39458078 2.01735852 0.02252092 -0.43471139 0.52931472 0.43060564 Ta 18.43293752 0.02653898 2.01236222 -0.53059858 0.41491663 0.69425620 Ta 16.36314395 2.00662680 2.08018251 0.14570252 0.19867442 -0.37952962 Ta 0.02510030 4.09046234 0.03797521 0.33078392 -0.10122490 0.33445734 Ta 2.05750875 6.09513737 0.03597423 0.12543971 0.30070934 -0.05418156 Ta 2.07041583 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4.06777364 0.01072745 0.09068402 -0.14888879 0.16545258 Ta 18.42817706 6.17615225 0.03184034 -0.56643176 -0.09442954 0.45954966 Ta 18.43914835 4.10768442 2.06549061 -0.19078380 -0.18727733 0.03080453 Ta 16.31830747 6.12037488 2.05241372 0.48937271 0.11111718 -0.20431163 Ta 0.00690236 8.19033409 0.03134902 0.48322578 -0.07403723 0.40077760 Ta 2.00883599 10.24500160 0.02678680 0.37209141 -0.19522193 -0.22180188 Ta 2.08474546 8.19396117 2.07572209 -0.40327200 -0.13112739 -0.37100695 Ta 0.03783598 10.25122063 2.02011944 -0.14845717 -0.24018703 0.33723137 Ta 4.09661176 8.18772668 0.03620981 -0.17279202 -0.12322200 -0.14844017 Ta 6.11522398 10.19864599 0.02570971 0.13469364 0.14143651 -0.13367080 Ta 6.17091499 8.19648799 2.04990530 -0.24149802 -0.17352232 -0.17605928 Ta 4.05146674 10.24852135 2.03337427 0.10872779 -0.19474074 -0.09144170 Ta 8.20948603 8.17893034 0.01723935 -0.18638729 -0.09512332 -0.16490596 Ta 10.19934622 10.18299574 0.02552013 0.10740200 0.24592686 -0.19530267 Ta 10.23225301 8.15359114 2.01025635 -0.22508604 0.00748432 0.16592576 Ta 8.18464300 10.24886708 2.07058019 -0.13876049 -0.17019039 -0.48889156 Ta 12.24011956 8.16836541 0.03252538 0.18461079 0.05217922 -0.36615699 Ta 14.30384852 10.23574053 0.02659689 0.09881406 -0.22815068 -0.29852172 Ta 14.33247419 8.21093371 2.04961078 0.00366523 -0.26634446 -0.17641016 Ta 12.26788557 10.18986766 2.00037626 -0.21387416 0.22954087 0.04034551 Ta 16.38879072 8.21468888 0.04636604 -0.22705418 -0.06240700 -0.08152112 Ta 18.39834607 10.24037198 0.02613202 -0.18617502 -0.05106229 0.30661548 Ta 18.42372715 8.21196381 2.04724522 -0.06264143 -0.15898559 0.16537956 Ta 16.36977275 10.25654682 2.01042729 0.11894729 -0.17905811 0.13153476 Ta 0.01652807 12.25493745 0.00229318 0.51025504 0.20997177 0.43169096 Ta 2.09910002 14.36606367 0.03141152 -0.16969684 -0.18156262 -0.05926172 Ta 2.06588288 12.22959166 2.06873671 -0.37420457 0.43744705 -0.24474620 Ta 0.01124778 14.29744673 2.06306117 0.09195213 0.12718613 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10.19726845 -0.06805912 -0.24345965 0.20701903 Ta 8.13881420 6.10698894 10.19746343 0.08275598 0.08362593 0.10553003 Ta 12.22902047 4.05650743 8.15289687 0.35596323 0.10085002 0.20569533 Ta 14.36295282 6.16977299 8.16110218 -0.20084778 -0.16056394 0.04815855 Ta 14.30358686 4.10319700 10.23421408 0.08542309 -0.21236713 -0.24459977 Ta 12.24763438 6.14002653 10.23900651 0.12598554 -0.13312286 -0.23192754 Ta 16.37878092 4.10203173 8.13813319 0.10164486 -0.41508951 0.11846984 Ta 18.40678209 6.12195045 8.15987299 0.06260287 0.13309638 0.04303805 Ta 18.37997840 4.08140942 10.23579939 0.17062396 -0.15501890 -0.15126274 Ta 16.37614954 6.11795767 10.16475917 0.14852782 0.12342683 0.16063141 Ta 0.01754959 8.20600293 8.15444603 -0.28437117 -0.06234779 0.06658352 Ta 1.99242203 10.21669972 8.16350603 0.18998341 -0.04684067 -0.06292286 Ta 2.02434406 8.16606989 10.20473320 0.04560721 0.17669424 0.09660354 Ta 0.02041543 10.25253588 10.22001471 -0.20256263 -0.18414019 -0.03027394 Ta 4.10020211 8.20202267 8.14103603 -0.24548326 -0.11875531 0.23880392 Ta 6.13443685 10.18829733 8.15690525 0.32793907 0.20130685 0.19182359 Ta 6.13012080 8.20768982 10.23949173 0.03421737 -0.23867989 -0.18894989 Ta 4.04497157 10.24283394 10.21414162 0.03950904 -0.18431471 -0.15651559 Ta 8.22341062 8.13055356 8.16014660 -0.20007436 0.22949097 0.20284790 Ta 10.19194661 10.19634287 8.21864645 0.10551803 0.15133425 -0.15707651 Ta 10.24313681 8.18046652 10.20313588 -0.15849487 -0.11528869 0.17058643 Ta 8.16486937 10.22477260 10.26183192 0.11153640 -0.23810602 -0.23570776 Ta 12.24982372 8.19834875 8.16275733 0.07249436 -0.21002332 -0.00187850 Ta 14.30734683 10.18571756 8.19113633 0.04590797 0.17572263 -0.11916686 Ta 14.27550011 8.14941421 10.23542409 0.25863448 0.22337742 0.16831014 Ta 12.25042731 10.23785894 10.22577717 0.16647618 -0.13144567 -0.03487501 Ta 16.31591301 8.24103282 8.16277087 0.62611100 -0.26662811 0.11651113 Ta 18.40377015 10.21869706 8.19144727 0.17417337 0.15341326 0.03988555 Ta 18.43121663 8.15249543 10.22368000 -0.05009499 0.17582138 -0.08816861 Ta 16.35540332 10.23936943 10.18433431 0.28672437 -0.26548129 0.45883273 Ta 0.02815386 12.25207335 8.21252712 -0.23153991 0.17165472 -0.03175796 Ta 2.05559340 14.32452144 8.19436903 -0.20231755 -0.01565473 0.12456711 Ta 2.04264144 12.22749492 10.25761403 -0.19947386 0.27021245 -0.20944971 Ta 0.01797940 14.28309425 10.24164492 -0.07899660 0.16784591 -0.10387075 Ta 4.10744678 12.22803616 8.19974456 -0.24405270 0.13015752 -0.03833391 Ta 6.10296980 14.34378127 8.21481325 0.21297791 -0.14451443 -0.08594020 Ta 6.13065496 12.29177373 10.24298813 0.03458630 -0.18072361 -0.27536126 Ta 4.06538600 14.28743425 10.26386685 -0.15245294 0.17968729 -0.07717121 Ta 8.20754431 12.26521487 8.20508137 -0.33374799 0.14527458 -0.12133989 Ta 10.22723178 14.32059546 8.19313238 -0.00246275 0.04242854 -0.29486472 Ta 10.19675810 12.23339994 10.20378965 0.13200568 0.28449856 0.13860751 Ta 8.15658674 14.31782659 10.26135480 0.18543731 0.22103503 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10.25560455 -0.15890627 0.23314193 -0.23531395 Ta 0.01689339 0.02702908 12.24212117 0.28079933 0.30779996 0.13201442 Ta 2.00768847 2.04645617 12.28518658 0.18547304 -0.07236153 0.13828574 Ta 2.01706703 0.02001025 14.33798535 0.34227568 -0.29433318 -0.16116866 Ta 0.03666578 2.00980533 14.34645932 -0.21107587 0.43329253 -0.18599176 Ta 4.12702970 0.03093099 12.27048864 -0.36522920 -0.15256088 0.14235846 Ta 6.17392858 2.02132318 12.27464295 -0.25901266 -0.09542181 -0.06642853 Ta 6.17095624 0.02745064 14.31391076 -0.07396563 -0.13112942 0.23043366 Ta 4.05304278 2.00418019 14.33111833 0.06511102 0.08817246 0.17676206 Ta 8.21492259 0.02115607 12.28266821 -0.04203376 -0.23458062 -0.04427416 Ta 10.24028945 2.07072743 12.25123246 -0.15219268 -0.40632491 0.22358837 Ta 10.25011225 0.00934333 14.36441607 -0.14736812 -0.15190709 -0.12476366 Ta 8.14955699 2.06147859 14.32654078 0.44918374 -0.46089740 0.19831779 Ta 12.30097848 0.03299835 12.23931484 -0.28955505 -0.17890915 0.25678027 Ta 14.35805172 2.01079589 12.27616936 -0.15222720 0.17484659 0.11886884 Ta 14.33070468 0.04014673 14.31565100 0.02332946 -0.29341880 0.10675323 Ta 12.23284202 2.03472841 14.34940418 0.14844135 -0.12475513 -0.13975464 Ta 16.35360204 0.02092433 12.27032015 -0.11222972 -0.11241193 -0.19104293 Ta 18.42265391 2.03463106 12.25194976 -0.17045504 0.37887480 0.05008592 Ta 18.39139387 0.00959878 14.25758334 -0.34428081 0.31963290 0.15041604 Ta 16.38735363 2.03330872 14.29729612 0.13130234 0.12531184 0.31616217 Ta 0.03058742 4.05927781 12.27485292 -0.13592888 0.07697353 0.08192932 Ta 2.05741003 6.12180360 12.22988090 -0.13077785 0.01178169 0.19096927 Ta 2.08065597 4.12839327 14.38110134 -0.35328092 -0.42369761 -0.22589233 Ta 0.03868956 6.11655511 14.34348087 -0.10580220 0.20098786 -0.12538549 Ta 4.11378598 4.06285570 12.29213254 -0.36340488 -0.20180561 -0.11017804 Ta 6.10731651 6.16048162 12.26320024 0.01074433 -0.17515448 0.10416344 Ta 6.17061070 4.05392437 14.27704000 -0.33730577 0.11552117 0.39280172 Ta 4.06225672 6.12168719 14.36911234 -0.06937337 0.12955126 -0.21201521 Ta 8.20367135 4.11253738 12.29158016 -0.23733158 -0.10977413 -0.10371166 Ta 10.19240641 6.13184940 12.24741431 0.24541410 -0.12664467 -0.10723820 Ta 10.19881187 4.12142781 14.29139813 0.16303991 -0.26077271 0.33360288 Ta 8.20840106 6.19196169 14.34851270 -0.23831752 -0.28560339 0.13374091 Ta 12.28785490 4.07790034 12.29057959 -0.12699847 -0.26285414 -0.04892258 Ta 14.30350247 6.11022564 12.24343486 0.22464501 0.13871572 -0.04918321 Ta 14.27976303 4.11402900 14.32189430 0.39538824 -0.33008435 0.16023081 Ta 12.28353868 6.16060510 14.28842140 -0.13730648 -0.19530386 0.23792855 Ta 16.34551937 4.10969176 12.26597716 0.30815269 -0.25106570 0.08491497 Ta 18.37686154 6.14223003 12.23243404 0.18864318 -0.12782149 0.13134842 Ta 18.38629648 4.12837044 14.33940246 0.11250468 -0.15029354 -0.20251312 Ta 16.32194140 6.14349673 14.29936123 0.35874411 -0.06687997 0.26464164 Ta 0.02140611 8.21119172 12.23613734 -0.16442787 -0.09945639 0.15505434 Ta 2.05234177 10.25708389 12.29968646 -0.34405877 -0.30333828 -0.15475953 Ta 2.00998368 8.20033629 14.28950964 0.16833172 -0.23286744 0.20227117 Ta 0.03659817 10.19510294 14.34938764 -0.27698983 0.26284959 -0.08758784 Ta 4.09502304 8.22612433 12.23401146 -0.35906042 -0.24233067 0.21057252 Ta 6.15354374 10.23631016 12.23809411 -0.19011983 -0.30250750 0.20488470 Ta 6.14491667 8.15011347 14.27799374 -0.15872156 0.30068021 0.32014380 Ta 4.08829500 10.25557407 14.31346092 -0.03685676 -0.28125066 0.22119495 Ta 8.21978020 8.13301424 12.29935151 -0.19036805 0.28641657 -0.28922370 Ta 10.27065912 10.20958905 12.27177995 -0.39109544 0.19817813 -0.05049536 Ta 10.26099754 8.15107523 14.27408817 -0.23994101 0.13458450 0.54837749 Ta 8.17514031 10.24759300 14.28810196 0.05881644 -0.24538904 0.31002529 Ta 12.22972085 8.20769389 12.28076061 0.23103101 -0.23184453 -0.20136466 Ta 14.28209704 10.25799336 12.31358597 0.25709353 -0.20596524 -0.25982120 Ta 14.27247799 8.15832718 14.26756606 0.34623230 0.15255949 0.30215926 Ta 12.23524760 10.22807478 14.31118655 0.17129960 0.14466600 0.20432276 Ta 16.35710311 8.14134153 12.29172574 0.20436205 0.29135172 -0.36681249 Ta 18.41239221 10.23481233 12.28275880 0.11520084 -0.30644114 -0.07637937 Ta 18.38705495 8.13750308 14.30058061 0.09771041 0.07683977 0.24448355 Ta 16.36710176 10.25525556 14.27253466 0.20639800 -0.33628632 0.38171389 Ta 0.02024739 12.26200406 12.24675915 -0.27069400 -0.03401442 0.21039502 Ta 2.03129730 14.34527464 12.26439857 -0.13623288 -0.20563019 0.00106216 Ta 2.05359587 12.24808140 14.30657103 -0.25577971 0.19451366 0.23231286 Ta 0.03845418 14.30326697 14.29909593 -0.20368834 -0.02694204 0.10701288 Ta 4.11711428 12.22996099 12.23300439 -0.24982113 0.20753832 0.17949123 Ta 6.15377891 14.34898651 12.27167456 -0.21658737 -0.07902594 -0.01593837 Ta 6.10290168 12.27632559 14.31144943 0.14357224 -0.07203688 0.24691936 Ta 4.07709054 14.26605334 14.27687628 -0.23832965 0.33838184 0.35295332 Ta 8.14028472 12.23180286 12.22963569 0.25536817 0.38638241 0.36538743 Ta 10.22223808 14.28931364 12.29053245 -0.26037264 0.30903569 -0.16352861 Ta 10.22068301 12.29978864 14.29259461 -0.16385467 -0.12493734 0.31052177 Ta 8.14389827 14.35134482 14.33960854 0.10702695 -0.14192522 0.09735547 Ta 12.23559530 12.29787968 12.23811077 0.17622813 -0.01893012 0.07710507 Ta 14.35129788 14.30560421 12.25970127 -0.05723319 0.23031909 -0.07543460 Ta 14.34694506 12.28685104 14.28438820 -0.04314089 -0.00201378 0.26026222 Ta 12.27170698 14.30436273 14.27180197 0.14248768 0.23910124 0.34578459 Ta 16.39681764 12.25981515 12.24315424 0.18017416 0.08661333 0.00957409 Ta 18.39157599 14.36532797 12.23862688 0.14559893 -0.16821309 0.05734323 Ta 18.42259956 12.26773847 14.31478808 0.06195244 0.25691785 -0.07526866 Ta 16.33276326 14.30980375 14.28393299 0.56216597 0.09805076 0.30881225 Ta 0.03088232 16.32933353 12.24884381 -0.11246008 0.16555657 0.15688488 Ta 2.05159672 18.43290455 12.28029905 0.08414668 -0.10710043 0.03879265 Ta 2.01905684 16.35602708 14.32602600 -0.01014079 0.22864350 0.06422316 Ta 0.02007305 18.43975233 14.34904256 0.43191711 -0.56235937 0.00224729 Ta 4.07585716 16.33805363 12.30067159 -0.13934372 0.50865942 -0.16363801 Ta 6.14793877 18.39088303 12.27728791 -0.15313344 0.12538770 -0.13169159 Ta 6.16303809 16.36404842 14.27833185 -0.40752937 0.22234180 0.47623901 Ta 4.05176924 18.39893918 14.30019545 0.15467185 0.05775061 0.17501620 Ta 8.15245494 16.32114274 12.28718617 0.36616088 0.56579278 -0.14138663 Ta 10.24923718 18.37261693 12.29760601 -0.26706484 0.18092927 -0.14732042 Ta 10.24579524 16.36801737 14.32088174 -0.24279948 0.12706811 0.24974966 Ta 8.16214311 18.40832072 14.27146228 0.19208494 0.04015402 0.26978803 Ta 12.22649221 16.34489583 12.25036498 0.42798903 0.26364701 0.17307275 Ta 14.35253033 18.42376323 12.23746212 -0.16892420 -0.03448699 0.24989893 Ta 14.36704548 16.36348595 14.34177759 -0.21272307 0.36499152 -0.32347278 Ta 12.24172619 18.41059005 14.33531345 0.30225581 -0.01966231 0.03589333 Ta 16.39372736 16.37328311 12.25542513 0.04241290 0.12579047 0.18328584 Ta 18.40272002 18.43661831 12.25622996 -0.34180260 -0.51905310 0.05623908 Ta 18.42377400 16.32021043 14.30628053 -0.16707068 0.10954488 0.22905387 Ta 16.38686585 18.43365899 14.27957554 -0.11144975 -0.09933423 0.14429106 Ta 0.03673207 0.00415315 16.33305008 0.29743374 0.27787607 -0.05339418 Ta 1.98200035 2.03327625 16.32552525 0.36904914 0.02035201 0.49974187 Ta 2.06204419 0.02310187 18.39923666 0.35887249 0.46879726 -0.48833310 Ta 0.01344793 2.01260391 18.42948788 0.43114903 0.44863614 -0.62382912 Ta 4.07974095 0.03527362 16.36605796 -0.07278497 -0.17521663 -0.21941521 Ta 6.11166787 2.07429904 16.39473553 0.25595076 -0.33168740 -0.07163674 Ta 6.10163438 0.01869874 18.43823852 0.18599506 0.39556112 -0.46116537 Ta 4.12475282 2.02059231 18.36520161 -0.33136551 0.33102431 0.17209843 Ta 8.19018549 0.01294732 16.40242918 -0.18944950 0.06263598 -0.17352295 Ta 10.23592457 2.00764977 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