108 Lattice="15.560411603098157 0.0 0.0 0.0 15.560411603098157 0.0 0.0 0.0 15.560411603098157" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.6592883892742 stress="-0.5514529318403647 -0.030047575933744075 0.22328597061437927 -0.030047575933744075 -0.44326446005353226 -0.025166253176139186 0.22328597061437927 -0.025166253176139186 -0.6226392719194167" pbc="F F F" Na 0.02224370 -0.03217361 0.01903692 0.05903088 0.06537250 0.06329555 Na 2.55318780 2.64146583 -0.04348883 0.02941758 -0.02599973 -0.04276674 Na 2.59211763 0.02581011 2.61625734 0.02781943 -0.06517966 -0.01096720 Na -0.02394219 2.57906506 2.63415180 -0.05417325 0.02724453 -0.02548387 Na 5.22740221 -0.02848220 0.04721609 -0.02949654 0.01368736 -0.01438285 Na 7.79011797 2.62595346 0.01031855 -0.00835531 0.01854481 -0.06685217 Na 7.79514873 0.01282200 2.55547979 0.01228858 -0.05116150 0.05880848 Na 5.15847657 2.57018981 2.56447024 0.01807617 0.03984939 0.04008571 Na 10.38309364 -0.00849847 -0.01394587 -0.03757904 0.02922802 0.01510928 Na 12.91723239 2.64387261 -0.00151203 -0.01180072 0.02461837 0.01944654 Na 12.93677128 0.01687270 2.55098625 -0.01037577 0.02575148 0.03253828 Na 10.33687522 2.63938741 2.61321882 0.01298693 0.01676952 0.00074546 Na -0.01468656 5.18816145 0.01693430 -0.01777989 -0.01372206 0.00121792 Na 2.56656270 7.72298101 -0.02279257 0.03092407 0.03912914 -0.07178436 Na 2.60808338 5.16018880 2.54717891 0.00611492 0.01109290 0.08548735 Na 0.03615188 7.78325692 2.55463851 -0.04898565 0.02146005 0.05897948 Na 5.14150220 5.23847184 0.00102160 0.04631465 -0.02457500 -0.06765928 Na 7.76207680 7.82174455 -0.04941137 0.00408535 -0.04643153 -0.01358840 Na 7.73939204 5.15641405 2.64563243 0.03885687 0.07004271 -0.02853679 Na 5.14669916 7.76567209 2.62149204 0.03424071 0.00934404 0.00280695 Na 10.36339111 5.20401771 -0.04747134 -0.04045386 0.01728050 -0.02251477 Na 12.97118380 7.71811126 0.05950597 0.00485317 0.02316389 -0.01396486 Na 12.95585274 5.20351998 2.63479003 0.05429300 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-0.00833025 -0.01315270 0.02588811 Na 2.58247715 2.58415923 5.14533298 0.05128336 0.05635452 0.04653118 Na 2.60032575 0.02337963 7.82788950 0.01655072 -0.05085043 -0.01566713 Na -0.00578992 2.63425239 7.79470659 -0.05624182 -0.00691013 -0.02393623 Na 5.22838897 0.01700825 5.23420413 -0.00582502 -0.04798787 -0.02572967 Na 7.81565692 2.66653505 5.18082523 -0.02628223 -0.03007710 0.03901616 Na 7.78513636 -0.03444243 7.79925835 0.01995985 -0.04960251 -0.00758172 Na 5.18807934 2.57844364 7.82511440 0.02068583 0.02861211 -0.03993994 Na 10.41283916 0.03322222 5.16595155 -0.04155682 -0.05360379 0.01342896 Na 12.97538500 2.63039542 5.17551584 0.05476651 -0.00668391 0.01829053 Na 12.97588147 -0.03193753 7.81512998 -0.01373430 0.01589730 -0.00822283 Na 10.38113291 2.58820873 7.81745084 -0.01295777 0.02820303 -0.01115082 Na -0.02376472 5.21381836 5.14381151 -0.02697382 0.00479855 0.01673446 Na 2.63461891 7.82895274 5.23303795 -0.02537069 -0.02789219 -0.02425785 Na 2.63881449 5.14652550 7.78918227 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-0.02601173 -0.02246856 0.00548656 Na 7.74467657 12.99916542 5.21217812 0.04544454 0.06396504 -0.03278543 Na 7.74427406 10.40999077 7.73449596 0.02293903 -0.05101090 0.04686208 Na 5.22260334 13.00613983 7.73244817 -0.04660154 0.05920165 0.02881628 Na 10.40313671 10.34737714 5.23694634 -0.06544654 0.04252462 -0.01417914 Na 12.93101446 13.01322354 5.19240693 -0.02002533 -0.02675633 0.00045646 Na 12.97269771 10.33566606 7.81089636 0.08464861 0.02226922 -0.01974387 Na 10.35833322 12.99626338 7.85369562 -0.00542212 0.04206299 -0.02411858 Na 0.01645225 -0.04650024 10.36845081 0.01787634 0.03838425 -0.02000993 Na 2.56437189 2.64479296 10.37207230 0.02632454 -0.05175569 -0.00702546 Na 2.62897329 -0.00852855 12.94202368 -0.00056891 0.03363204 -0.01345926 Na -0.03211291 2.64873402 12.92562507 0.01042549 -0.01264897 -0.01118217 Na 5.19257500 0.00311973 10.42074847 -0.01328433 -0.05882330 -0.05270424 Na 7.81488747 2.54875436 10.35886663 -0.02097158 0.07638578 -0.02556933 Na 7.77279990 0.02860741 12.92596525 0.01379284 -0.02618707 0.02634370 Na 5.20690967 2.57171643 12.97799117 -0.01030741 0.03589340 0.05102875 Na 10.39367858 -0.03412688 10.41025323 -0.01545026 -0.05147107 -0.03584233 Na 13.00220738 2.57873369 10.36715320 0.03543511 0.03055251 -0.01155045 Na 12.93703861 -0.01558407 12.95814193 -0.05056249 0.05919074 -0.04949598 Na 10.33430643 2.60305257 12.96131657 0.00684680 0.02107035 0.05620457 Na -0.02520471 5.16196202 10.33845022 -0.05756873 0.02466842 -0.01402281 Na 2.59069712 7.81665046 10.40404426 0.04694031 -0.04056839 -0.05457403 Na 2.57517514 5.12820302 12.93267168 0.04755240 0.03751411 0.07561148 Na 0.02326734 7.74490233 12.90259307 -0.00542152 0.00640923 0.01847401 Na 5.14367198 5.14668820 10.35565624 0.04772127 0.04285362 -0.00280518 Na 7.80563374 7.75625916 10.40931838 -0.03311556 0.01223317 -0.07993857 Na 7.71279475 5.20899887 12.99525017 0.02852884 -0.01806443 0.04692851 Na 5.22510444 7.81212439 12.98568191 -0.04732923 -0.01840531 0.04642176 Na 10.37260905 5.18558927 10.41793151 -0.03402600 -0.00826039 -0.07475985 Na 12.94983515 7.78162162 10.39291857 0.08969949 -0.00099212 -0.03172158 Na 12.93585309 5.22903020 12.93369631 0.01661501 -0.02958270 0.01720610 Na 10.40749405 7.80576158 12.92933633 -0.05260328 -0.00652231 0.09341227 Na 0.04297886 10.39430412 10.41819827 -0.06991510 -0.01964036 -0.05368669 Na 2.59598183 13.00642242 10.37731469 0.03831223 0.05829591 -0.03169198 Na 2.63477637 10.40485857 12.93559331 0.00868772 -0.03456363 0.08146362 Na 0.03984962 12.93202231 12.96795325 0.04498069 -0.03567472 -0.03854049 Na 5.17056625 10.39237167 10.35124989 0.01957976 -0.02138435 -0.03305153 Na 7.75995708 12.99182849 10.37475094 0.01976128 0.03414961 -0.00031977 Na 7.78189352 10.33723203 12.93173653 0.03055579 0.02277542 0.05314251 Na 5.19549066 12.94043934 12.97194114 0.00200320 0.00618047 0.00242499 Na 10.41611052 10.33098870 10.31856141 -0.06497033 0.05170042 0.02957353 Na 13.00271690 12.98641023 10.40510682 -0.02684295 -0.03449380 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