108 Lattice="12.211952568233068 0.0 0.0 0.0 12.211952568233068 0.0 0.0 0.0 12.211952568233068" Properties=species:S:1:pos:R:3:forces:R:3 energy=-754.1841104937871 stress="0.4671073874062488 -1.9666642022357248 0.6461229274324563 -1.9666642022357248 2.0192619192532817 1.8172533266537627 0.6461229274324563 1.8172533266537627 -0.4922739585381839" pbc="F F F" Ta -0.01482222 -0.01260621 0.01325464 0.82706204 1.12457471 1.00133818 Ta 2.04533692 2.00911822 0.00304876 -0.40777823 0.22051006 -0.62179338 Ta 2.04103401 0.03884865 1.99594299 -0.27796737 -0.58397971 0.47020332 Ta -0.00126430 2.06730046 2.06271237 -0.46238273 -0.48740565 -0.34578167 Ta 4.04276459 -0.01747269 0.01548030 0.32127916 0.20215001 0.24034194 Ta 6.06946812 2.01405355 0.03056692 0.10510551 0.03598627 -0.53182217 Ta 6.05590477 -0.02899444 2.09223535 0.11792257 -0.44147533 -0.37282870 Ta 4.05901790 2.06445864 2.03666918 0.15043966 -0.20708533 0.17197255 Ta 8.11444916 -0.02485897 0.05949951 -0.41224915 0.19506102 0.06186770 Ta 10.13625022 2.02051218 0.00142575 -0.43707786 0.18195731 0.24357600 Ta 10.16271206 -0.03898009 1.99606773 -0.34907496 0.38103604 0.45338717 Ta 8.14051621 2.00024881 1.99704480 -0.03843186 0.32357986 0.31371078 Ta -0.00964763 4.06428152 0.00248775 0.30477683 -0.07735570 0.26236104 Ta 2.01760867 6.07892681 -0.00572858 0.13908069 0.34643362 -0.52957410 Ta 2.01786291 4.04509428 2.00407071 -0.07600153 0.21078620 0.20224043 Ta 0.00514649 6.13796300 2.02280285 -0.42108112 -0.20932845 0.18083520 Ta 4.03920209 4.09154845 0.01647836 0.30858335 0.01714399 -0.67459299 Ta 6.13879221 6.10505675 -0.03554761 -0.51451337 0.17498781 -0.46573132 Ta 6.13083165 4.10360200 1.99366619 -0.15943134 -0.11421675 0.37351902 Ta 4.05091116 6.13872876 2.06374784 0.15130314 -0.25729538 -0.31127564 Ta 8.10188665 4.10803682 -0.03146348 0.34733006 -0.53018667 -0.58441610 Ta 10.15480729 6.12614972 -0.03225901 -0.19469743 -0.10205561 0.06632568 Ta 10.15034765 4.06845236 1.99915593 0.42118716 0.03719443 0.47060729 Ta 8.18416307 6.09464024 1.99451884 -0.31066124 0.23374795 0.19317491 Ta 0.03619991 8.16144613 -0.01232192 0.15318568 -0.22533106 0.55885477 Ta 2.00145713 10.16219422 -0.03514255 0.54232214 -0.32350316 0.86622711 Ta 2.06595068 8.12804271 2.03448379 -0.49435959 0.41097164 -0.12014728 Ta -0.01030821 10.19600787 2.04985930 0.72384209 -0.65974272 -0.31080359 Ta 4.09716290 8.15434566 0.03971129 -0.49415558 -0.22151008 -0.88577706 Ta 6.11535850 10.15091179 0.00414440 -0.28552371 0.07124420 0.32752770 Ta 6.06891189 8.14536560 2.00956619 0.45124476 -0.17941114 0.32598211 Ta 4.03671970 10.15881515 2.07101738 0.21086053 0.59862090 -0.37629910 Ta 8.11224906 8.15166499 -0.03651615 0.45305626 0.19161840 -0.20300573 Ta 10.21512536 10.14297662 0.03259047 -1.21799558 -0.72778355 0.85318935 Ta 10.17994504 8.11535023 1.99964685 0.20098937 0.42236184 0.34352837 Ta 8.10305191 10.18909950 2.05359724 0.77352116 0.00186163 -0.37367420 Ta 0.00777360 -0.02475785 4.05233233 0.35842677 0.37033947 -0.06675660 Ta 2.00618710 2.04491667 4.09229729 0.14455179 -0.27278775 -0.24008342 Ta 2.04027918 -0.01371517 6.07501393 0.06022681 -0.34489940 0.45695962 Ta 0.03678512 2.03757049 6.08809522 -0.91398369 -0.20138613 0.00245208 Ta 4.04459564 -0.03233808 4.05842034 0.12018377 -0.36793573 0.20707681 Ta 6.14464486 2.01111134 4.09740773 -0.33974353 0.17529023 -0.44289877 Ta 6.12361133 -0.02505512 6.13724871 -0.31143346 -0.54945236 -0.13916300 Ta 4.12970910 2.04865292 6.06705800 -0.26677879 -0.49362691 0.26098429 Ta 8.12133323 0.03516828 4.09189802 0.35899250 -1.09573667 -0.34792529 Ta 10.16993740 1.96086138 4.05884834 0.43908317 0.61474349 -0.20466988 Ta 10.17962895 -0.00714997 6.14314328 -0.27530807 0.13251902 -0.07683068 Ta 8.15711623 1.99467027 6.06756076 -0.05420212 0.14782581 0.30830573 Ta 0.00823623 4.09795565 4.09950533 -0.61504077 -0.10243549 -0.46113959 Ta 2.06873190 6.10231912 4.08333907 -0.52083266 0.18140505 -0.06534474 Ta 2.05630810 4.00657497 6.10114306 -0.16004989 0.23145675 -0.10802945 Ta 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10.13798688 4.09164881 -0.01568795 0.72573586 -0.08983761 Ta 6.14199622 8.16102472 6.10243280 -0.18357452 -0.50130416 0.21313918 Ta 4.10735543 10.14316000 6.13282985 -0.40404088 0.79676722 -0.18714186 Ta 8.17366828 8.10802693 4.09193631 -0.26941926 0.33305115 -0.18575524 Ta 10.15294687 10.15382130 4.10375335 -0.47279108 -0.51586727 -0.16600413 Ta 10.20623762 8.11348729 6.14085893 0.44190289 0.33619987 0.09175800 Ta 8.12095901 10.13729423 6.18307266 0.38969892 0.75294778 -0.58603117 Ta -0.02362488 0.02340224 8.13631972 0.69878925 0.31098767 -0.25779667 Ta 2.01997574 2.05512347 8.11316841 0.25266437 -0.67129706 0.50343563 Ta 2.02531526 -0.03909221 10.17550595 0.31293037 1.00363507 -0.81429926 Ta 0.01599833 2.01906858 10.15789004 0.41346581 0.21651987 -0.38851676 Ta 4.08853347 -0.01819661 8.15865178 -0.25582761 -0.06790800 -0.14749645 Ta 6.13341885 2.07104698 8.16234480 -0.13974689 -0.27224791 -0.16956759 Ta 6.11105254 0.03122145 10.16774498 -0.04874627 0.24030103 -0.17187924 Ta 4.07457462 2.07113288 10.18269289 -0.39450249 -0.47836828 0.26624185 Ta 8.13952414 -0.02627501 8.14761326 0.22061469 -0.18757441 0.36189127 Ta 10.13921817 2.04816655 8.12278257 0.57432348 -0.48419412 0.58786673 Ta 10.20353351 -0.01831699 10.17898262 -1.25524715 1.33781818 -1.20647066 Ta 8.13771163 2.05125614 10.19752296 0.54224304 -0.41482188 0.37192499 Ta 0.03323745 4.08639056 8.11328891 -0.66996025 -0.08345766 0.25383730 Ta 2.03511978 6.08001475 8.10570624 -0.24089273 0.20532853 0.10109088 Ta 2.01693568 4.06475123 10.20856176 0.12750190 0.26278869 0.33327261 Ta 0.00642265 6.13563599 10.15380189 0.08599140 -0.41711292 -0.19726798 Ta 4.02292378 4.10748496 8.10475464 0.23314181 -0.17940919 0.31671395 Ta 6.11451973 6.08469510 8.18621790 -0.00870230 0.08292423 -0.55507423 Ta 6.09546011 4.06980432 10.15757163 0.01699370 0.17731431 0.71841942 Ta 4.07019883 6.14550531 10.15744926 -0.33520971 -0.50354323 0.84126689 Ta 8.17280809 4.04160939 8.12391557 -0.16111037 0.12051301 0.19678126 Ta 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Ta 8.17075755 10.16073766 10.10532414 -0.40698019 -0.43600763 0.27110003