500 Lattice="20.67091321717525 0.0 0.0 0.0 20.67091321717525 0.0 0.0 0.0 20.67091321717525" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3671.218440564066 stress="-0.012288292737222163 -0.00020746278185588063 1.76807446204833e-05 -0.00020746278185588063 -0.011848901047445988 -0.00013783211670486786 1.76807446204833e-05 -0.00013783211670486786 -0.012180504376832702" pbc="F F F" Ta 0.00476625 0.03350293 0.03331349 1.08767376 1.13963072 1.11880896 Ta 2.05347921 2.07655022 0.03685035 -0.61228200 -0.40666938 -0.10641315 Ta 2.05978501 0.00659366 2.05377482 -0.57242675 0.05929365 -0.34708742 Ta 0.01266119 2.08583143 2.09241626 0.01925299 -0.62857220 -0.80896448 Ta 4.16842546 0.03233171 0.04092447 -0.25628672 0.33766297 0.30554636 Ta 6.20101109 2.09583524 0.04092968 -0.10687815 -0.57473085 -0.66480554 Ta 6.22986596 0.00828786 2.05245281 -0.20997758 -0.38005089 -0.14886647 Ta 4.13382804 2.04249568 2.05609006 -0.13916571 -0.11799169 -0.20545279 Ta 8.26406974 0.03963421 0.04039857 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16.53923971 10.35339492 -0.29745817 0.41068264 0.14245253 Ta 4.15707080 18.57186446 10.29481733 -0.02879774 0.31347262 0.25789886 Ta 8.24912712 16.55134691 8.28400029 0.23430260 0.68068599 -0.18916406 Ta 10.33822111 18.62579835 8.30112632 -0.16393571 -0.14148079 -0.45104144 Ta 10.34463348 16.56104045 10.29545948 -0.28611980 0.08237019 0.28404105 Ta 8.20968726 18.58593703 10.40146176 0.46078227 0.22326816 -0.36317793 Ta 12.39881254 16.51556503 8.30291389 0.14344454 0.60287567 -0.65502378 Ta 14.47573754 18.57223887 8.27092308 -0.18655980 0.04336516 -0.27538074 Ta 14.45449089 16.51523011 10.30948703 0.19227602 0.63067481 0.22624918 Ta 12.36174666 18.57762429 10.34181417 0.36624956 0.52243242 -0.16095260 Ta 16.52955942 16.49858949 8.24546904 0.56702787 1.00693704 0.35073008 Ta 18.62285423 18.56346835 8.22320901 -1.07639879 -0.82910481 0.30962334 Ta 18.61938984 16.56915141 10.38965934 -0.46492746 0.58391742 -0.17561465 Ta 16.52801420 18.63372295 10.25599862 0.65292701 -0.58998015 0.27732665 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0.26142727 -0.33108115 Ta 8.27713367 4.11109232 12.44314116 0.27618515 0.15651238 -0.35983395 Ta 10.31047576 6.19203801 12.37881646 0.24797135 -0.04775300 0.19252748 Ta 10.36726491 4.16036519 14.50810248 -0.28271037 -0.14226725 -0.51319772 Ta 8.22804157 6.15132033 14.44950726 0.33266204 0.32886830 0.32719247 Ta 12.43133846 4.12923169 12.37750754 -0.39398173 0.25443541 0.35136740 Ta 14.49883719 6.23435289 12.45273382 -0.32621475 -0.14573945 -0.18085916 Ta 14.49814325 4.11119570 14.45131506 -0.38108820 0.40378075 0.12482396 Ta 12.38109684 6.25712559 14.50079101 0.24432421 -0.34550032 -0.42184488 Ta 16.51591233 4.14364826 12.41533723 0.78449248 -0.11262261 -0.12924223 Ta 18.62022761 6.21355585 12.37692776 -0.13395266 0.11810968 0.09272400 Ta 18.58179192 4.17422762 14.50948880 0.12300783 -0.28422534 -0.41077650 Ta 16.56422005 6.23620249 14.45314626 0.37407536 -0.23315636 0.36778893 Ta 0.03950141 8.25501681 12.42492495 -0.50246219 0.39753022 -0.26356817 Ta 2.10114472 10.32385781 12.44372802 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