500 Lattice="20.59357857012361 0.0 0.0 0.0 20.59357857012361 0.0 0.0 0.0 20.59357857012361" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3685.361124429427 stress="0.000770838002812493 -0.0002971616753245741 6.724232144225316e-05 -0.0002971616753245741 0.0014954482927023467 -0.00030943786029162697 6.724232144225316e-05 -0.00030943786029162697 0.0009379506934905286" free_energy=-3685.361124429427 pbc="F F F" Ta 0.03551962 0.00776212 0.03190388 0.72387520 0.79039926 0.89810399 Ta 2.02849693 2.03848558 0.03782955 0.48774039 0.20933483 -0.22852316 Ta 2.04224025 0.00607936 2.09479439 0.20884159 -0.05465386 -0.13544784 Ta 0.02023878 2.07655970 2.05389709 -0.49068758 -0.62859503 0.21202717 Ta 4.08644265 0.04007115 0.03417640 0.48070962 0.72017486 0.71073588 Ta 6.20869900 2.10007067 0.01922146 -0.30146200 -0.45103387 -0.24152998 Ta 6.19290249 0.00348479 2.07066210 -0.31634837 0.17590310 0.05246885 Ta 4.14840421 2.08176492 2.07349971 -0.24545332 -0.35605467 -0.23354345 Ta 8.21017947 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10.28180781 -0.24860068 -0.82811527 0.35385758 Ta 16.53131820 10.31322358 10.32392112 -0.40998140 -0.05988393 -0.34471618 Ta 0.02722017 12.33556873 8.22751516 -0.51232867 0.32369602 0.17760920 Ta 2.03603219 14.43144069 8.23605478 0.09017771 -0.11750155 0.06778368 Ta 2.08813411 12.38874879 10.28803267 -0.24327396 -0.28946314 -0.01650816 Ta 0.00581744 14.42703369 10.26713605 -0.41294288 -0.27153402 0.31613642 Ta 4.15528255 12.34624226 8.25796516 -0.29584912 0.11250417 -0.10526542 Ta 6.20599436 14.39207388 8.24713068 -0.12366956 0.23547198 0.03751654 Ta 6.14473757 12.30418955 10.28933726 0.23863186 0.16678810 -0.00537925 Ta 4.12607402 14.47815340 10.26180916 0.05347986 -0.07374477 0.23773131 Ta 8.27125568 12.38560641 8.22185189 -0.35954087 -0.31347593 0.17213927 Ta 10.29799206 14.45410652 8.21262822 0.11896084 -0.58019241 0.33032709 Ta 10.33134319 12.32534273 10.32105397 -0.12535409 0.36489721 -0.31281417 Ta 8.22259176 14.38748960 10.31101894 0.06331870 -0.06481308 -0.15589649 Ta 12.37385001 12.35115394 8.22596795 -0.16951275 0.09332506 -0.04804775 Ta 14.38376119 14.47182087 8.26432001 0.33274120 0.06363537 -0.02312194 Ta 14.36253827 12.36929140 10.28074094 0.66858400 0.13014973 0.19422264 Ta 12.40557686 14.39981314 10.25759817 -0.21242192 -0.13348845 0.32261148 Ta 16.45139978 12.38753489 8.22606776 0.38644889 -0.24183701 0.15123487 Ta 18.51382519 14.44525173 8.22516839 0.48053381 -0.56163996 0.31517322 Ta 18.52226153 12.32590692 10.30192293 0.51346105 0.50603549 -0.44623808 Ta 16.50229373 14.44639162 10.33111021 -0.35131874 -0.40806467 -0.27502937 Ta 0.02283300 16.44172237 8.25835024 -0.27057102 1.04733615 -0.36071546 Ta 2.08196880 18.51097226 8.26897482 -0.58096199 0.31491923 -0.59904695 Ta 2.01974856 16.50982766 10.27328953 0.31373876 -0.11028207 0.31935436 Ta 0.03762213 18.54837616 10.34510771 0.27038066 -0.78242329 -0.38446012 Ta 4.09479948 16.48092906 8.20235132 0.23252110 0.12544156 0.08657344 Ta 6.18502419 18.51305022 8.26418661 0.07141560 0.40477376 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-0.33798510 0.19573338 0.17939859 Ta 0.00555285 0.02422284 12.36523672 0.94485181 0.58640771 -0.21864990 Ta 2.05933381 2.06663550 12.38979225 -0.03527846 -0.20292391 -0.17192583 Ta 2.04717875 0.01092868 14.41982615 0.18921172 -0.31712134 -0.05247306 Ta 0.01516839 2.04837201 14.45633909 -0.25086566 0.24050391 -0.29311968 Ta 4.10355503 0.00536549 12.35392370 0.34407064 -0.32035793 0.07684553 Ta 6.15499705 2.07463045 12.31105783 0.14159266 -0.22775903 0.37077526 Ta 6.19246361 0.01332679 14.43944512 -0.24430258 -0.11518248 -0.35245022 Ta 4.10110508 2.08647712 14.37507947 0.17926525 -0.56179324 0.20500854 Ta 8.17829362 0.02872121 12.35265154 0.42243825 -0.43566831 0.49384098 Ta 10.23312070 2.01066825 12.37637546 0.18933847 0.14697395 -0.11367297 Ta 10.31931062 0.00093349 14.44951716 -0.56703363 -0.36425836 -0.57251043 Ta 8.22537045 2.07889381 14.44035601 -0.06659708 -0.34793047 -0.13165089 Ta 12.32531906 0.03950885 12.33756949 0.26203644 -0.38191019 0.25673094 Ta 14.39001863 2.06516476 12.35339607 0.14680195 -0.23577414 0.03803969 Ta 14.45072528 0.02079575 14.41007481 -0.42605343 -0.07954147 -0.29125091 Ta 12.32089776 2.08370411 14.40417571 0.34218213 -0.36477597 0.07272801 Ta 16.53446487 0.03687638 12.37293290 -0.46998798 -0.17950878 -0.14403397 Ta 18.52534261 2.07978685 12.29989477 0.41290033 -0.08978212 0.33299862 Ta 18.49546886 0.02802881 14.43875658 -0.31569264 0.83468546 -0.10920419 Ta 16.50418902 2.08700353 14.38305344 -0.08169249 -0.23311387 0.32199707 Ta 0.03108411 4.09413401 12.36063554 -0.27821206 0.29804697 0.15906339 Ta 2.09659623 6.15504470 12.32359433 -0.38836666 0.07287459 0.35161408 Ta 2.09822869 4.10484401 14.45770981 -0.56514054 0.24214957 -0.24639060 Ta 0.01140943 6.21071782 14.39221931 -0.10762153 -0.55924503 -0.07446365 Ta 4.15098150 4.13885182 12.39786014 -0.19779850 -0.23841818 -0.19570825 Ta 6.18855120 6.16369485 12.32060077 -0.28698518 0.35011056 0.32789229 Ta 6.14449471 4.11328451 14.42628611 0.15115999 0.10321689 -0.27277426 Ta 4.10995288 6.18833033 14.44289755 0.03797759 0.10349963 -0.11623372 Ta 8.27375754 4.13083919 12.41448304 -0.26716317 -0.20524492 -0.06879507 Ta 10.27974641 6.14657211 12.34969515 0.20667429 0.23709357 0.19887227 Ta 10.33099027 4.07394061 14.39819198 -0.18401635 0.31152463 0.21345704 Ta 8.26132740 6.21221117 14.36640441 -0.04129760 -0.12521193 0.17749615 Ta 12.31621597 4.12027871 12.37869124 0.13020147 -0.19889878 -0.29063541 Ta 14.38384137 6.17397443 12.30907665 0.06794173 0.07980592 0.12642633 Ta 14.41861225 4.14513318 14.38179708 -0.08872992 -0.21520145 0.16566332 Ta 12.37142720 6.17386729 14.40189744 -0.14111044 0.05421721 0.10792846 Ta 16.44900214 4.10911109 12.38911463 0.53106093 0.24627711 -0.45811752 Ta 18.54007286 6.16742161 12.37616611 -0.30835815 0.42988015 -0.49642089 Ta 18.50871360 4.12092538 14.37948881 0.56135894 -0.32202342 0.32940917 Ta 16.44699049 6.14263401 14.44871043 0.56784378 0.28964987 -0.36524789 Ta 0.01434789 8.20576907 12.39542055 -0.24657840 0.21772130 -0.53659095 Ta 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0.17343212 -0.07296966 -0.29203749 Ta 10.30685183 14.41047286 12.30543636 -0.07886310 0.01962804 0.22502777 Ta 10.31284531 12.37868834 14.40915804 -0.20929668 -0.23175738 0.11497972 Ta 8.27577026 14.37321599 14.42625674 -0.43346115 0.25845627 0.16814247 Ta 12.33355201 12.31827555 12.36750178 0.39846884 0.34834763 0.05815113 Ta 14.43520763 14.45005855 12.39845310 -0.22847172 -0.59057026 -0.23659685 Ta 14.44643881 12.33046345 14.42236149 -0.15519216 0.11037149 -0.27510779 Ta 12.32097613 14.38469160 14.40991747 0.24371570 0.11938658 -0.03488544 Ta 16.52043578 12.31796851 12.33304718 -0.29279079 0.45658731 0.16283356 Ta 18.57169887 14.37955196 12.31580563 -0.10177411 0.07515359 0.53082042 Ta 18.53072564 12.38968342 14.43747528 0.37491837 -0.19656676 -0.14144465 Ta 16.43583256 14.37841148 14.45066995 0.98888445 0.27425461 -0.14663376 Ta 0.03901669 16.46905986 12.38337903 -0.47178478 0.11397682 -0.13218997 Ta 2.04457189 18.52195543 12.34980914 0.61757679 0.18175535 0.34195063 Ta 2.03341187 16.45725225 14.45564581 0.65749962 0.56650618 -0.41734468 Ta 0.01071602 18.54170312 14.42580763 0.52902690 -0.49691868 -0.21801812 Ta 4.15336971 16.52350847 12.35477819 -0.61942430 -0.50521293 0.03948705 Ta 6.13998726 18.52020462 12.35763219 0.80407038 0.25292092 0.07153391 Ta 6.14138001 16.45434641 14.45556605 0.45427642 0.08183876 -0.28109110 Ta 4.17499119 18.54221594 14.39433622 -0.63314576 0.00624636 0.63833383 Ta 8.25462238 16.45172078 12.35485301 -0.32180174 0.33336874 0.22528941 Ta 10.27409588 18.51115779 12.32564727 0.29033272 0.22315106 0.41952676 Ta 10.28347151 16.48023602 14.44921266 0.33182405 0.06801713 -0.31121797 Ta 8.25116827 18.50218851 14.44313651 -0.53368061 0.32994713 -0.56304032 Ta 12.34872159 16.46127369 12.33243833 0.09333580 0.62806897 0.38826236 Ta 14.46525949 18.52142598 12.33193497 -0.61002871 -0.00534242 0.14996542 Ta 14.41540924 16.43667725 14.44625517 -0.30511519 0.53658035 -0.15234809 Ta 12.39013072 18.55104824 14.43103706 -0.40132698 -0.28166199 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