108 Lattice="11.854178111038241 0.0 0.0 0.0 11.854178111038241 0.0 0.0 0.0 11.854178111038241" Properties=species:S:1:pos:R:3:forces:R:3 energy=-729.0537427398784 stress="-2.6663233054720727 0.17628427460119944 -0.4980948985614475 0.17628427460119944 -4.237413585651652 -1.1101758636424357 -0.4980948985614475 -1.1101758636424357 -3.66297104077365" pbc="F F F" Ta 0.02724691 -0.02632601 -0.03557700 1.76867217 1.79579513 1.86234741 Ta 1.96013855 1.98167373 0.02449520 -0.20289244 -0.83611192 -0.90050145 Ta 1.92800006 -0.02053346 1.97408107 0.01075734 -0.52129090 -0.35223130 Ta -0.01760672 1.96886687 1.96045742 -0.90994092 -0.68940032 -0.48859571 Ta 3.96643878 0.02966985 0.03916364 -0.48302431 0.49295376 0.48168158 Ta 5.91741793 1.93143432 0.00280430 0.31521645 0.13899924 -0.68807473 Ta 5.89312943 -0.00580978 1.95592159 0.37821421 -0.83216677 0.00559873 Ta 3.96084937 2.00977104 2.01205878 -0.26834163 -0.78276959 -0.42582344 Ta 7.89822850 -0.01422041 0.03192230 0.00006769 0.99927594 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Ta 5.94180214 9.85690722 3.93607234 -0.04667452 1.13315715 0.02654634 Ta 5.89799684 7.88072323 5.88825686 0.59898373 0.59966321 0.73963019 Ta 3.92182236 9.84525553 5.95094295 0.16334310 1.17592331 -0.06099112 Ta 7.90636327 7.91425788 3.91091590 0.41136478 0.40793303 0.28753843 Ta 9.84644984 9.87575534 3.96676743 -0.68755538 -0.51070058 -0.04201195 Ta 9.89158373 7.87969266 5.90193717 0.62890778 0.61847061 0.19298795 Ta 7.89938190 9.91246794 5.95616547 0.23941975 0.31871505 0.02974571 Ta 0.01994459 0.02957652 7.90768675 0.81072043 0.76919278 -0.05359960 Ta 2.01166394 1.93152504 7.90196121 -0.88822217 0.18500846 0.61864111 Ta 1.95817540 -0.00278332 9.86783020 0.12164262 0.85380698 -0.79072571 Ta -0.01215087 1.94281795 9.85259674 1.00780402 0.33786566 -0.95824931 Ta 3.95172986 0.01681719 7.87990179 -0.20155249 -1.31217444 0.50507804 Ta 5.95947520 1.93261338 7.96331760 -0.38006090 0.42002103 -0.20229873 Ta 5.91343635 -0.02074475 9.85470286 0.11934930 0.25580870 -0.39502832 Ta 3.96607132 1.92061328 9.90443109 -0.11843778 0.11817328 0.72141205 Ta 7.89192303 -0.00621808 7.92947833 0.76471954 -0.86972220 0.34137650 Ta 9.90553777 1.97603878 7.88195850 0.38600769 -0.36781427 0.87401497 Ta 9.88899008 0.00537935 9.88816521 -1.82439803 1.94447574 -1.92851840 Ta 7.87460760 1.97234301 9.87431586 0.91077462 -0.38554493 0.83840111 Ta -0.03295139 3.90966594 7.89304404 -0.31398406 -0.10277644 0.35370422 Ta 2.00546446 5.90960793 7.88834918 -1.09494472 0.30326776 0.45746983 Ta 1.98830984 3.94878557 9.88807011 -0.45896578 -0.31153207 0.67186661 Ta -0.00880498 5.86543657 9.89699110 0.95145209 0.03933955 -1.07910654 Ta 3.93633529 3.96601075 7.89769687 0.28014893 -0.49476130 0.38763478 Ta 5.91479307 5.91255964 7.93339878 0.08586549 0.16036636 -0.42210092 Ta 5.92196065 3.96159690 9.89681621 -0.04601159 -0.21172876 0.96472167 Ta 3.94023522 5.91102823 9.88951091 -0.08118108 0.22852693 1.12138438 Ta 7.92341378 3.98592175 7.93678697 0.17132192 -0.43005301 0.08464617 Ta 9.86454645 5.89601650 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