500 Lattice="20.670907967273546 0.0 0.0 0.0 20.670907967273546 0.0 0.0 0.0 20.670907967273546" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3670.91736020138 stress="-0.01147019952081153 0.00014098917350147935 0.00023249120193096466 0.00014098917350147935 -0.011493992656724803 1.939392789814792e-05 0.00023249120193096466 1.939392789814792e-05 -0.011288989892765808" free_energy=-3670.91736020138 pbc="F F F" Ta 0.03629586 0.01034730 0.01609402 0.99820281 0.86584325 0.65303049 Ta 2.09974008 2.08878707 0.01019657 -0.85251036 -0.70405659 -0.30337888 Ta 2.01127843 0.01960610 2.08423151 0.08276199 -0.20552660 -0.49742023 Ta 0.05857262 1.98764685 2.02954466 -0.39799490 0.21401117 -0.11431879 Ta 4.14813973 0.02864803 0.00690805 -0.22498872 0.25108822 0.34520238 Ta 6.18261139 2.06509337 0.03557663 0.45115618 -0.65127421 -0.69889257 Ta 6.16347822 0.03706431 2.06003497 0.33960089 -0.42616786 -0.19188311 Ta 4.15402303 2.06437224 2.00251242 -0.42135369 -0.43488601 0.51530473 Ta 8.32753973 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12.45217327 12.42301187 8.34098618 -0.30303246 -0.02872131 -0.44591399 Ta 14.50868419 14.43154610 8.34101384 -0.31863025 0.52134075 -0.38463219 Ta 14.50235373 12.36408952 10.36564842 -0.27552760 0.35851342 -0.11439935 Ta 12.39033798 14.49461175 10.35530344 -0.10309714 -0.12002365 -0.07442854 Ta 16.57327406 12.43449750 8.26927422 0.59718925 -0.47423384 0.00159688 Ta 18.62093031 14.48219311 8.31699304 -0.10457757 -0.18519837 -0.30647584 Ta 18.62497474 12.39361633 10.37102126 -0.16968155 -0.08811276 -0.27253012 Ta 16.49751531 14.45186468 10.36472251 0.74965534 0.04308169 -0.24803347 Ta 0.05717928 16.50235814 8.30915057 -0.32287387 0.66001856 -0.20289166 Ta 2.09133659 18.57544523 8.28514994 -0.76529851 0.31218114 -0.11426749 Ta 2.09050528 16.52593818 10.29446356 -0.60387713 0.86740643 0.66758597 Ta 0.01488468 18.58326116 10.35681780 0.96893865 -0.98226250 0.00983080 Ta 4.09833643 16.50488544 8.27523338 0.54868453 0.66282962 -0.21246289 Ta 6.16655731 18.58725176 8.30422705 0.35515083 0.26096876 -0.21009682 Ta 6.18448492 16.54594970 10.31612888 0.31780858 0.58248095 0.29508028 Ta 4.15654678 18.63812255 10.29783576 -0.21891131 -0.20900274 0.53114975 Ta 8.22760765 16.54138947 8.23533537 0.33647896 0.45983481 0.44310317 Ta 10.37304254 18.61186161 8.26580194 -0.40347936 -0.02072004 0.16601018 Ta 10.27629423 16.56923891 10.32725010 0.27231866 0.21057700 -0.39558642 Ta 8.27209618 18.64165776 10.36880820 -0.22031018 -0.23103555 -0.14168762 Ta 12.41141191 16.55775603 8.25156826 0.06102026 0.21534131 0.30258451 Ta 14.53469347 18.59503841 8.23388851 -0.09810948 -0.24446219 0.08772249 Ta 14.43621894 16.52120730 10.38020840 0.32734242 0.65555372 -0.38536723 Ta 12.40909754 18.58954235 10.34258634 0.12912026 0.25299816 -0.35083440 Ta 16.57317159 16.53430378 8.28670211 0.38652981 0.73020365 -0.25276189 Ta 18.63045387 18.60423225 8.27520627 -1.26576453 -1.22076725 -0.10277937 Ta 18.59433300 16.51429295 10.35330748 0.10207543 1.07414560 -0.16545348 Ta 16.55619951 18.61572980 10.32240272 0.64546672 -0.28606660 0.01973526 Ta 0.03420832 0.03007402 12.42454617 0.50928454 0.40846124 -0.20814128 Ta 2.09630111 2.06507275 12.39541174 -0.68980275 -0.44969710 0.07727470 Ta 2.07848912 0.01741405 14.49743333 -0.46545752 -0.25063239 -0.17424956 Ta 0.02632063 2.05035713 14.43867186 -0.12633874 -0.11578030 0.17867755 Ta 4.13152154 0.00917538 12.44685977 0.15225757 0.08215799 -0.18833534 Ta 6.18770089 2.10548544 12.40559814 0.02406187 -0.72915636 -0.08275557 Ta 6.23856559 0.04361430 14.48814584 -0.41477367 -0.42669779 -0.31751130 Ta 4.10525762 2.10304606 14.45124339 0.12829610 -0.69677001 0.17828890 Ta 8.23908298 0.00065992 12.37976122 0.21298066 0.06337377 0.33108910 Ta 10.36245367 2.07632490 12.37180306 -0.38575117 -0.58284246 0.38171529 Ta 10.33598013 0.07579658 14.49229430 -0.18920400 -0.29826251 -0.23871982 Ta 8.22707162 2.07245937 14.49285797 0.59125606 -0.34119387 -0.37781753 Ta 12.40662895 0.02866009 12.36408636 0.04806649 -0.11188776 0.16624467 Ta 14.45114598 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0.18879475 0.49384460 -0.28649002 Ta 12.37542064 10.30184007 14.44097795 0.48796681 0.35833245 0.21514439 Ta 16.52818617 8.26389905 12.37406506 0.70398924 0.22876450 0.19122441 Ta 18.63614966 10.36119282 12.41616440 -0.29260881 -0.27158725 -0.01897726 Ta 18.62857450 8.30538574 14.48335001 -0.43365397 -0.03846230 -0.06345403 Ta 16.51132252 10.34183474 14.44256597 0.95828369 -0.12167419 0.09029717 Ta 0.02062908 12.39963721 12.36683849 -0.46631575 -0.27181752 0.30890223 Ta 2.00231906 14.50664490 12.36838765 0.63150919 -0.21983547 0.40203170 Ta 2.07493983 12.37881221 14.43421913 -0.21451440 0.24680775 0.34795432 Ta 0.03375018 14.43244193 14.45229216 -0.26338038 0.10306753 0.32028713 Ta 4.09302733 12.38822731 12.42188766 0.51861472 0.35898196 -0.12803064 Ta 6.16513967 14.49924994 12.39035088 0.37695613 -0.25890786 0.13870903 Ta 6.20399265 12.44352034 14.50057565 -0.17804042 -0.19904590 -0.15868209 Ta 4.14300725 14.49796127 14.50572779 -0.15482953 -0.30379281 -0.29479416 Ta 8.28923730 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