108 Lattice="12.331142346107866 0.0 0.0 0.0 12.331142346107866 0.0 0.0 0.0 12.331142346107866" Properties=species:S:1:pos:R:3:forces:R:3 energy=-752.6900667527264 stress="-0.008873925149532492 -0.00017742636185593186 -0.0008697564149418941 -0.00017742636185593186 -0.008065236111477954 0.0003990942125408571 -0.0008697564149418941 0.0003990942125408571 -0.008546068174616457" pbc="F F F" Ta 0.01363863 0.00066213 0.01851423 0.99198770 1.05795663 1.05428255 Ta 2.03127349 2.06804799 0.03174169 -0.25119638 -0.97087173 -0.57605348 Ta 2.03453876 0.00490695 2.07487608 -0.48598169 -0.20921449 -0.65020229 Ta 0.01298180 2.08893610 2.02960283 -0.38968232 -0.93813478 -0.07354711 Ta 4.15243019 0.01066502 0.02496836 -0.24809192 0.45906109 0.41751622 Ta 6.19827929 2.08112651 0.02766150 -0.37399057 -0.59230190 -0.94093889 Ta 6.20628631 0.02652522 2.03908559 -0.32847907 -0.79230035 -0.15842847 Ta 4.12534735 2.03346122 2.05042808 -0.26116250 -0.38537362 -0.45420940 Ta 8.18109847 0.01600262 0.00219911 0.80393714 0.30602919 0.29494431 Ta 10.24389800 2.05344957 0.01343451 -0.31200843 -0.55769502 0.45450393 Ta 10.24946042 0.00215357 2.06567834 -0.57447535 0.62528190 -0.45491583 Ta 8.20545260 2.04260464 2.01339567 0.85445790 -0.47282227 0.16810047 Ta 0.00603465 4.09537364 0.01609402 0.23602241 0.28794108 0.08548436 Ta 2.07415197 6.18124323 0.03756165 -0.56931114 -0.11999800 -0.75472554 Ta 2.06742902 4.11242454 2.00650504 -0.39206527 -0.03760550 0.15035109 Ta 0.03837684 6.12966339 2.05248697 -0.53388628 0.34985117 -0.34064957 Ta 4.12529458 4.08787022 0.01662998 -0.07129903 0.20590539 -0.54282570 Ta 6.17876683 6.13615187 0.00912405 -0.28511710 0.16754328 -0.53101461 Ta 6.17891396 4.08009533 2.03042351 -0.23201686 0.35776968 0.15660628 Ta 4.11338116 6.19464209 2.07603807 0.25479740 -0.36100197 -0.58396753 Ta 8.24691397 4.10551859 0.03681905 0.39997172 0.22087466 -0.93838300 Ta 10.29630679 6.17955633 0.02843988 -0.37935079 0.08996398 0.34803607 Ta 10.25687163 4.13076138 2.04284012 0.71934109 -0.10548893 -0.31726161 Ta 8.18515017 6.14683756 2.02086537 0.85655597 0.26624319 0.11200255 Ta 0.00860219 8.28661727 0.02933592 0.55263227 -0.10532854 0.36639908 Ta 2.08915388 10.27066620 0.01514697 -0.38153382 -0.43362723 0.57049461 Ta 2.08165187 8.21041546 2.02526917 -0.79006230 0.81977965 -0.11387305 Ta 0.01931335 10.24646955 2.06154293 0.49357748 -0.32551978 -0.26316282 Ta 4.10438316 8.21003940 0.01078911 0.42158621 0.58181873 -0.37956664 Ta 6.20213004 10.26943190 0.03997320 -0.23732970 -0.48432925 0.28732451 Ta 6.20072788 8.21526856 2.07478006 -0.16531498 0.50835274 -0.64451727 Ta 4.13026680 10.26701933 2.07668157 -0.17606211 0.38199623 -0.62868091 Ta 8.22238669 8.18886383 0.01920724 0.76762542 0.80907504 -0.30501741 Ta 10.25506135 10.25059517 0.03542174 -0.83814824 -1.04244623 0.83204763 Ta 10.31288262 8.21977127 2.06973839 -0.22441910 0.62204766 -0.35005724 Ta 8.23422502 10.27817660 2.04582923 0.66823160 0.10155387 -0.16706235 Ta 0.00081486 0.01764310 4.13846016 0.51681628 0.58544193 -0.11648148 Ta 2.07226247 2.03914421 4.11980992 -0.72269058 -0.23493138 -0.14841836 Ta 2.04184695 0.00873552 6.19113292 -0.39191219 -0.63002356 -0.27412134 Ta 0.03528050 2.07948643 6.18745844 -0.57292837 -0.55232743 -0.24272377 Ta 4.12540516 0.03776452 4.12702193 -0.19337271 -0.78904368 -0.13174080 Ta 6.12917545 2.04033216 4.09755374 0.38175216 -0.00640757 0.28009842 Ta 6.16680824 0.01363410 6.14689450 0.20085444 -0.49175879 0.11155954 Ta 4.08665346 2.03045649 6.20539508 0.25615254 0.19345702 -0.35732312 Ta 8.22393149 0.02655268 4.10734941 0.68886220 -0.16751048 0.28709593 Ta 10.30612691 2.08730836 4.07428163 0.11045695 -0.84709524 0.23874195 Ta 10.28641848 0.02146843 6.18418896 -0.81764033 0.62460206 -0.26681835 Ta 8.22871044 2.08741556 6.17894448 0.63699263 -0.71833921 -0.34559450 Ta 0.02692072 4.13601757 4.12435654 -0.31559368 -0.11332933 -0.12285012 Ta 2.08599195 6.19624803 4.09094805 -0.46011282 -0.20906970 0.17704527 Ta 2.04746272 4.15184711 6.14100240 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0.61261001 0.58288404 Ta 6.14538291 10.27815601 4.08251339 0.24885234 0.39801323 0.36356282 Ta 6.18484442 8.24421167 6.14961995 -0.25724708 0.32538436 0.21085259 Ta 4.07251740 10.28143488 6.12787695 0.11417255 -0.04825384 0.15420319 Ta 8.22756383 8.19687356 4.13851042 0.70555162 0.75923912 -0.25473321 Ta 10.26367389 10.31501773 4.08270884 -0.75426914 -0.97660074 0.18194122 Ta 10.28275633 8.21430197 6.12755157 0.14345172 0.80014145 0.23840108 Ta 8.20033055 10.26699388 6.20357744 0.82755117 0.28635473 -0.28460496 Ta 0.01997098 0.00088279 8.21170329 0.52839315 0.74556251 0.63538936 Ta 2.07982458 2.05358086 8.20365157 -0.65563942 -0.40123750 0.88917510 Ta 2.07681804 0.04087564 10.25721806 -0.44703342 0.61938664 -0.59185549 Ta 0.00274531 2.09103481 10.27254860 0.69748282 -0.74863902 -0.62164757 Ta 4.11990674 0.01790877 8.19224707 0.19170346 -0.40025769 0.94255085 Ta 6.19907438 2.06361262 8.18132070 -0.50775020 -0.51198723 0.85296782 Ta 6.17264498 0.00390670 10.28212884 -0.34570518 0.64847339 -0.56054071 Ta 4.10601618 2.09180718 10.30791285 0.07631905 -0.78766292 -0.02053483 Ta 8.20099427 0.01104644 8.26102352 0.87353873 -0.44579987 0.17975227 Ta 10.26362585 2.04040876 8.19934968 0.33732816 -0.28188787 0.87017493 Ta 10.26332583 0.03973021 10.29760333 -0.93170720 0.90436603 -1.11311825 Ta 8.21145172 2.04152782 10.25195576 0.56712219 -0.32468709 0.65439119 Ta 0.02576650 4.08332093 8.23558199 -0.54679232 0.41574608 0.37990547 Ta 2.03386846 6.19132616 8.24476660 -0.28900650 -0.16636516 0.42753149 Ta 2.03015517 4.13792059 10.26101988 -0.33992332 -0.22269105 0.61070129 Ta 0.00737174 6.17855596 10.30842017 0.56254907 0.14702114 -0.69451785 Ta 4.10558188 4.10741386 8.23889241 0.09658521 -0.04203785 0.20430305 Ta 6.15566333 6.20009080 8.23743024 0.20432322 -0.18250238 0.43725520 Ta 6.12247641 4.08464177 10.29370871 0.26563998 0.28836284 0.22976147 Ta 4.06940600 6.15225136 10.25364581 0.41188709 0.19695464 0.62913982 Ta 8.18361720 4.08941242 8.26010352 0.90005911 0.34132341 0.40778780 Ta 10.24302789 6.15876613 8.21896310 0.56251585 -0.03546590 0.69258013 Ta 10.26928114 4.06409915 10.30960815 -0.81821120 0.18402349 -0.95033366 Ta 8.25004900 6.19224863 10.25835655 0.51934915 -0.16930434 0.44729482 Ta 0.01798732 8.21010713 8.20860275 -0.39715790 0.90046639 1.17924203 Ta 2.06640034 10.29313731 8.24542856 -0.75209917 0.13638959 0.30574310 Ta 2.09478132 8.25605024 10.29399367 -0.99950955 0.41522585 0.21900049 Ta 0.02879301 10.27814858 10.31076454 1.09647859 -1.10473777 -1.17237724 Ta 4.10595488 8.22052615 8.21645573 0.20466905 0.81168748 0.41853471 Ta 6.18750970 10.27152620 8.25112524 -0.36502348 0.06163044 0.41442396 Ta 6.18457219 8.20968892 10.29987167 -0.08119977 0.68121495 -0.01633731 Ta 4.07075900 10.31547307 10.26131532 0.50615887 -0.52713325 -0.44374860 Ta 8.25148472 8.22310219 8.23065955 0.62013045 0.84063812 0.78746525 Ta 10.26879073 10.29741935 8.23319091 -0.99541710 -1.11138459 0.58676441 Ta 10.31415139 8.24504693 10.29539216 -1.25915184 0.45716933 -1.27432994 Ta 8.18446263 10.30984291 10.29838855 0.74048221 -1.15285584 -0.96072241