108 Lattice="11.290982632139093 0.0 0.0 0.0 11.290982632139093 0.0 0.0 0.0 11.290982632139093" Properties=species:S:1:pos:R:3:forces:R:3 energy=-528.5463795815743 stress="-0.008539635793759428 0.0010236266546547646 -0.00012448607748117663 0.0010236266546547646 -0.00861607358155812 -0.0011493603159900133 -0.00012448607748117663 -0.0011493603159900133 -0.007107472006722416" free_energy=-528.5463795815743 pbc="F F F" Cu 0.00111965 0.03464346 0.02064608 1.32738560 0.66943989 0.73568747 Cu 1.84408037 1.89771019 0.06496693 0.30724044 -0.15077714 -0.05381084 Cu 1.91247670 0.02949058 1.89369268 -0.07736823 0.15000614 0.26758352 Cu 0.01199029 1.87104567 1.86960685 0.10650436 0.30370557 0.50732756 Ta 3.74179047 0.02496521 0.02265870 0.57680980 1.49873336 0.62207676 Ta 5.64904470 1.86671488 0.01888920 -0.11684061 -0.34873764 -0.92791499 Cu 5.62363879 0.01564031 1.86860871 0.17517701 -0.18574043 0.42867563 Cu 3.79319899 1.83538664 1.87965103 -0.59012083 0.29308375 0.65225758 Ta 7.48751680 0.03708887 0.03260878 -0.15113566 0.48912387 0.90788234 Cu 9.43535679 1.88860923 0.00833860 -0.85371042 -0.21806816 0.75453916 Ta 9.40222705 0.02464157 1.85780932 -1.20207851 0.99852364 0.06179586 Cu 7.53373469 1.88594077 1.87431661 0.22956937 0.18983863 0.44357795 Cu 0.02808583 3.74734633 0.00928208 0.42176732 0.30142185 0.61834781 Ta 1.88643200 5.64927641 0.01989939 -0.69069346 -0.64789450 -2.09616337 Cu 1.85619202 3.76624608 1.89230528 0.20843792 -0.45650242 0.44402239 Ta 0.00223382 5.66311039 1.88901782 -0.94971760 -0.80901759 0.53840080 Ta 3.74864938 3.75084699 0.00743812 -0.44551219 -1.50667796 -1.47604938 Ta 5.69213472 5.67289087 0.02372645 -0.29477486 -0.88552082 -2.83123588 Ta 5.64318483 3.77525781 1.91305686 0.13118238 -2.04350155 0.50271954 Ta 3.77116351 5.61388160 1.86219090 -1.34814833 -0.59459477 1.60120109 Cu 7.49472839 3.79253795 0.01164939 0.42561921 -0.86495871 -0.29210809 Cu 9.41905036 5.60937099 0.00556047 -0.51483370 0.48790971 0.51203971 Cu 9.39655852 3.78019996 1.91048897 0.21764576 -0.52143467 -0.58904910 Ta 7.51841699 5.67731756 1.88585277 1.20314521 -0.22443509 -0.32864059 Ta 0.03097476 7.53331882 0.00304993 0.34951641 -0.20825395 0.36295155 Cu 1.87247861 9.38374258 0.03131134 0.00681684 -0.01090780 -0.07441624 Ta 1.88778425 7.50710966 1.88459377 -0.88881740 1.46346322 0.58334853 Cu 0.01484281 9.41987438 1.90869266 0.16365373 -0.69757046 0.34939052 Ta 3.77235441 7.53430616 0.00849972 -0.86940473 0.36234583 -1.75413758 Cu 5.60787233 9.34853446 0.00910992 0.54894235 0.39433609 -0.46986965 Ta 5.66081722 7.53143497 1.85983287 0.27455115 1.22425335 0.79700234 Cu 3.76592615 9.39547835 1.89588070 0.20403771 0.77163563 0.35037263 Cu 7.49005484 7.51411008 0.02107891 0.54400009 0.54089427 -1.12855036 Ta 9.41971149 9.37582830 0.01595482 -1.05203229 -0.97576416 2.02095281 Ta 9.39701688 7.50340239 1.89810821 0.99092338 0.74726697 -0.72593935 Ta 7.50142998 9.43898502 1.86392575 0.78686184 0.57921122 0.07363459 Cu 0.00647768 0.03198891 3.77762008 0.40074099 0.51588980 0.22302486 Cu 1.86541232 1.90625202 3.76055610 0.56300302 -0.19820362 -0.40097215 Ta 1.89322640 0.03360366 5.67537042 -0.20377134 -0.31631453 0.06906891 Ta 0.03748046 1.85099258 5.62228232 -0.50572362 0.19563974 0.67141775 Cu 3.75692065 0.01837133 3.77811972 -0.20613943 0.07565523 -0.43991711 Cu 5.67745630 1.84182647 3.78316938 -0.43321089 0.09687590 -0.53561374 Cu 5.65038843 0.01071228 5.64267186 -0.85224131 -0.55155983 -0.33526458 Cu 3.76150104 1.86123548 5.59732934 -0.27166293 0.48169840 0.23720174 Cu 7.47870897 0.02297966 3.75600369 0.12997531 -0.25320270 -0.45861965 Ta 9.41685013 1.87419838 3.79639079 0.68221505 0.14121621 -0.76874202 Cu 9.42536809 0.02880988 5.61455031 0.23295449 -0.66932830 -0.10209256 Ta 7.48498254 1.86916501 5.64534284 0.88601668 -0.97963401 -0.96020288 Ta 0.01574151 3.72184016 3.79996079 -0.23007868 0.11407578 -0.35341849 Cu 1.86097323 5.63542644 3.77442672 0.03852357 -0.33041515 -0.02072054 Cu 1.87973227 3.78425124 5.66284569 0.40566625 -0.54302046 -0.03645350 Cu 0.04680204 5.67710427 5.64304848 0.01634128 -0.15264725 -0.36073715 Cu 3.75075769 3.77791528 3.76287786 -0.67490376 -0.57162283 -0.08406142 Ta 5.63941640 5.66098337 3.78218784 0.82999127 0.52885793 0.94955290 Ta 5.65910009 3.75716057 5.66208027 -1.90563753 -0.43474686 -0.61168864 Ta 3.73709580 5.68200315 5.62593750 -1.36879606 -0.41385098 0.46002407 Ta 7.53810810 3.77069234 3.80796675 0.60322830 -0.74686567 -0.39007315 Ta 9.41844296 5.63375280 3.73997896 1.14571431 -0.10271883 0.93434747 Cu 9.40520079 3.76893747 5.67755225 0.65802980 0.37205494 -0.07431700 Cu 7.53266356 5.65949304 5.63734506 -0.31294825 0.39587660 -0.11356613 Cu 0.01441885 7.54398934 3.74261873 -0.02731606 -0.05246042 0.57625042 Cu 1.87084065 9.44522358 3.77508349 -0.16251168 0.36359563 0.08471910 Cu 1.87581825 7.50681061 5.69596549 -0.27585786 0.41176234 -0.32731080 Ta 0.03280085 9.44369768 5.62839288 1.16478713 -1.38029083 0.63530361 Ta 3.73474284 7.52475615 3.73005009 -0.41470531 1.31197532 1.40801868 Cu 5.68763353 9.34177217 3.73774870 0.03714627 0.39194737 0.56703411 Cu 5.61456109 7.47823252 5.67301200 0.65571931 0.55039293 -0.38613381 Ta 3.75862998 9.43430066 5.64403409 -0.24671158 -0.42149996 -0.12354504 Cu 7.53651713 7.53639747 3.78626698 -0.76480362 -0.32207667 0.58872028 Ta 9.38096680 9.35711196 3.76947650 0.09807642 0.27028980 -0.67774245 Ta 9.42446452 7.49534916 5.63453546 0.82452968 0.32595085 -0.06005770 Ta 7.50126840 9.41371529 5.67489175 -0.67609378 0.57995275 -0.38491653 Ta 0.00405150 0.00471785 7.52631931 1.16081553 1.31725084 -0.78826869 Cu 1.88477023 1.93577838 7.46209285 0.41030044 0.07789315 0.57539915 Cu 1.87510708 0.03620508 9.37202219 -0.05606810 0.38645196 -0.75762521 Cu 0.03065024 1.87689032 9.42003942 0.93783603 -0.07992633 -1.25925972 Cu 3.77552821 0.01940102 7.55276130 -0.44017823 -0.47704387 -0.22005744 Ta 5.64841490 1.83215625 7.51995880 -1.42086085 0.47558436 0.59028426 Cu 5.65336566 0.01464548 9.37824568 0.21962112 0.07895288 0.43832704 Ta 3.74698926 1.88561897 9.40283696 -0.56729542 0.79258032 0.11402777 Ta 7.54819396 0.03526877 7.53958846 0.46360616 -1.62580883 0.58070072 Ta 9.44396840 1.86173418 7.50631708 1.31020786 -0.15470716 0.20795416 Ta 9.40847467 0.01443593 9.44072536 -0.96676039 1.63053360 -1.30783546 Cu 7.53197449 1.89560313 9.39837248 -0.33435298 -0.02463373 0.63205675 Cu 0.01310425 3.76495766 7.50992625 0.02661075 -0.19922908 -0.36944950 Cu 1.83767059 5.60569902 7.49259345 0.26846927 -0.02911757 0.28425798 Cu 1.86765386 3.78666645 9.41123429 0.10662717 0.01401464 -0.04163378 Cu 0.02619627 5.69142995 9.38416021 0.64863983 0.09938902 -0.37919092 Cu 3.75343797 3.79853139 7.54536564 -0.61659942 -0.47610359 -0.46954459 Ta 5.63094434 5.61976710 7.54248634 0.08400918 0.07767040 -1.76210348 Ta 5.62445583 3.79803110 9.42101067 0.07502078 -1.80989697 1.68279563 Ta 3.78671801 5.61697318 9.42391116 -1.76565627 -0.19161923 1.26119046 Ta 7.56471585 3.76933719 7.51377895 0.00154257 -0.52680647 -0.42357452 Ta 9.40383663 5.66562788 7.53247601 1.81224718 -0.43562943 -0.80692449 Ta 9.38915944 3.75884621 9.39319346 0.63065681 -0.59486543 0.89715946 Ta 7.50726547 5.63044871 9.44360242 0.38339860 0.58240254 2.64103541 Ta 0.02838436 7.55329969 7.50302835 0.19660306 0.40728844 -0.25845241 Cu 1.83902118 9.42405462 7.49268994 0.09538477 0.57429076 -0.03667755 Ta 1.90820077 7.57145927 9.38172993 -0.48738949 -0.52450331 0.34957765 Cu 0.02391526 9.42267396 9.41855658 0.43543125 -0.72107285 -1.01308353 Ta 3.78900685 7.54596966 7.56261420 -1.47610179 0.70422856 -1.43676655 Cu 5.64689433 9.41104962 7.50068396 -0.27614446 0.65669872 -0.02639269 Ta 5.67018350 7.53807589 9.41105204 -0.57062312 0.77030641 2.54365974 Cu 3.77055037 9.41064698 9.37581584 0.25879560 0.22685421 -0.11488965 Ta 7.47347861 7.53478279 7.55773967 0.31102930 0.41334627 -1.70661485 Cu 9.41106175 9.37612235 7.53874792 0.54455640 0.28363539 -0.60172315 Ta 9.39148339 7.53268934 9.40327540 0.01140000 -0.36680644 0.33507608 Ta 7.55303825 9.42499393 9.36546670 -0.40892357 -0.12968595 -0.13985368