108 Lattice="11.854117122245846 0.0 0.0 0.0 11.854117122245846 0.0 0.0 0.0 11.854117122245846" Properties=species:S:1:pos:R:3:forces:R:3 energy=-729.0018980091678 stress="-0.00948728922260981 -0.0001539454362219709 -0.0007548400706969375 -0.0001539454362219709 -0.010362922614485714 0.0006567256935739345 -0.0007548400706969375 0.0006567256935739345 -0.01050119118053467" free_energy=-729.0018980091678 pbc="F F F" Ta 0.03711348 0.00395417 0.01473375 1.69026540 1.82074145 1.79476860 Ta 1.95220861 1.98384123 0.00199784 -0.06913421 -0.63404128 -0.95234142 Ta 1.99241569 0.02893705 1.97071453 -0.64652010 -1.00393274 -0.46391264 Ta 0.03761190 2.01350565 1.97178168 -0.92350390 -0.76098028 -0.15677443 Ta 3.97283371 0.02800931 0.02719138 -0.18045353 0.54470518 0.74760442 Ta 5.93610785 1.97846937 0.01762729 -0.02125851 -0.21656495 -1.04119186 Ta 5.97523422 0.02465820 2.01102180 -0.27629235 -0.90461166 -0.83272290 Ta 3.94409117 1.99175905 1.98142921 0.05653399 -0.48244892 -0.68942759 Ta 7.91921392 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0.55704809 Ta 5.91935015 9.87696775 3.94101232 0.09004184 0.86528905 -0.05956753 Ta 5.98896535 7.88816004 5.89724162 -0.44197534 0.39798978 0.37481472 Ta 3.88765738 9.84888915 5.94236333 0.29206236 0.98693199 0.23811629 Ta 7.93070953 7.92448987 3.98319333 0.38206337 0.29986170 -0.87040780 Ta 9.87635371 9.87096331 3.92532597 -0.55711115 -0.50091521 -0.30370817 Ta 9.84411591 7.88770006 5.91042108 1.44037851 0.40461539 -0.00681060 Ta 7.95664485 9.86020814 5.93111707 -0.05161354 1.34869609 0.15166194 Ta 0.01104457 0.00745992 7.90803323 1.06758715 1.05865731 -0.04022153 Ta 1.95306154 1.97735049 7.88556054 -0.38188866 -0.72314411 0.78682986 Ta 2.00953998 0.02755979 9.87721136 -0.11284635 0.87857475 -0.82193235 Ta 0.03950290 1.97637310 9.91192181 0.93096412 -0.06147789 -1.03528955 Ta 3.98514734 0.02257921 7.92155921 -0.63174308 -1.37749918 0.03586530 Ta 5.93298754 1.93849752 7.86982052 0.32304688 0.51562461 0.55797954 Ta 5.89922881 0.03662568 9.83416560 0.22952446 0.34427173 -0.04112237 Ta 3.94156777 1.94039878 9.84305012 -0.08603334 0.33271928 0.93946487 Ta 7.89172077 0.00070195 7.96507966 0.57321957 -0.66933995 -0.03383336 Ta 9.87358327 1.98299694 7.90218130 0.48752572 -0.38567279 0.41562099 Ta 9.86114837 0.01636878 9.84593629 -1.54991845 1.67816235 -1.58066334 Ta 7.91443519 1.99350122 9.91476636 0.51241120 -0.32538386 0.44586863 Ta 0.03091202 3.97533661 7.92756068 -1.17063409 -0.28884932 0.42274509 Ta 1.97459391 5.92939129 7.88523859 -0.34121969 0.10127863 0.56870572 Ta 1.99782491 3.89765978 9.87142535 -0.33082879 0.07559620 0.87646635 Ta 0.03552323 5.92639424 9.88887205 0.75263162 0.19868572 -0.70279503 Ta 3.97624896 3.97271206 7.88564130 -0.02142666 -0.37992585 0.45717281 Ta 5.96374116 5.93104882 7.95109894 -0.10146014 0.47990067 -0.11118505 Ta 5.97076298 3.91571843 9.88208374 -0.31817547 -0.35006930 1.00480280 Ta 3.91817639 5.90332195 9.86041672 0.20669118 0.20097315 1.03647490 Ta 7.86993491 3.98822138 7.88462696 0.79937323 -0.52572610 0.60638380 Ta 9.86784154 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9.86069207 0.27639378 -0.87072895 -0.90557461