108 Lattice="26.834985598738847 0.0 0.0 0.0 26.834985598738847 0.0 0.0 0.0 26.834985598738847" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6.298708694381592 stress="2.905423480153347 0.6367335640134053 0.8975642318929986 0.6367335640134053 2.2810747742165267 -0.36140999270134144 0.8975642318929986 -0.36140999270134144 3.3869711441779176" pbc="F F F" Al 0.07314985 0.05137878 0.06040780 0.00027206 -0.01408837 -0.01440814 Al 4.46782547 4.50222425 -0.07486606 -0.01782856 -0.02621566 0.01495865 Al 4.41268496 -0.08704883 4.40119304 0.08104318 0.01985129 0.05624937 Mg -0.01064401 4.39049841 4.49801568 0.01284440 0.05388972 -0.01840265 Al 8.99356569 -0.08630622 -0.06908099 -0.00036484 0.02124154 0.02093769 Al 13.35186832 4.54038635 0.08741209 0.02566984 -0.01105414 -0.01377903 Al 13.33216453 -0.06622358 4.50806750 0.02772598 0.00168905 0.00358399 Mg 8.91513711 4.47996139 4.43186739 -0.01361241 -0.03853796 0.04355181 Al 17.86647580 -0.06827239 0.02318363 0.01582624 0.00006133 0.01573112 Al 22.40092598 4.46770216 -0.02083032 0.00000545 -0.02162596 0.02178844 Mg 22.40206551 -0.05069494 4.53151440 -0.04101676 0.03459087 -0.02499248 Al 17.88919270 4.46668744 4.50641307 0.01261102 -0.00993852 0.00354356 Mg 0.04816075 8.91563230 -0.02619847 -0.02303905 0.01559442 0.02885984 Al 4.47176170 13.40213325 0.08316047 0.00818942 0.02933121 -0.01975099 Mg 4.39794505 8.96800622 4.40386174 0.04664631 -0.04571147 0.08785775 Mg 0.03455828 13.46801394 4.54811483 -0.03363958 -0.04160451 -0.03934325 Mg 8.87335755 8.90703436 0.06331223 0.02122955 0.01876632 -0.02500073 Al 13.46783584 13.33010567 -0.02866028 -0.04857918 0.06559932 0.03056519 Al 13.42788001 8.98395822 4.44878040 -0.02055738 -0.01164618 0.01191570 Al 8.91667137 13.35093110 4.39374858 0.05624171 0.03220419 0.05242187 Al 17.91763024 9.02060820 -0.06350044 0.00010307 -0.01119392 -0.01165701 Al 22.32645378 13.45271091 0.06262601 0.02620183 -0.01388816 -0.01157383 Al 22.34172101 8.93440246 4.49020810 0.01341201 0.01480987 0.01845290 Mg 17.87773053 13.35386218 4.44902127 0.01887056 0.07648332 0.06543529 Al 0.07265741 17.92534766 -0.01896295 -0.01107915 -0.02798122 0.00564692 Mg 4.57294280 22.27405737 0.08192688 -0.01469242 0.03100008 -0.02139567 Al 4.45267517 17.88930588 4.41270791 0.00503006 -0.00203106 0.03156090 Mg -0.00086602 22.33675914 4.47765043 0.01779918 0.02561446 0.00672930 Mg 8.93126463 17.91912907 0.07177997 0.04850261 -0.05625668 -0.02729420 Al 13.36887361 22.38034567 -0.06100543 0.04560420 -0.05682981 0.02597498 Mg 13.42940708 17.89663775 4.54387275 0.02975076 -0.05000890 -0.10119290 Al 9.01333480 22.28944654 4.39845705 -0.01669059 0.02531066 0.04997817 Mg 17.95458096 17.82648206 -0.03295074 -0.09020716 0.05567903 0.03578068 Al 22.33237461 22.32693883 0.00986382 0.00884799 0.00909591 0.00008653 Al 22.31575195 17.93128479 4.51316114 0.00765348 -0.01262094 -0.00919039 Al 17.85981233 22.39671086 4.46203765 0.03414088 -0.01899393 -0.01318368 Mg -0.02106357 0.06256260 8.90793094 0.00573086 -0.01463265 0.01381698 Mg 4.45573357 4.43944386 8.86488987 0.04749646 -0.01749476 0.03222904 Mg 4.42993664 -0.04343277 13.48467020 0.04345649 0.04468142 -0.06002094 Mg -0.00812857 4.43233757 13.33943273 0.00295114 0.01394304 0.01798002 Mg 9.00651929 -0.05268458 8.99927326 -0.10064397 0.02103150 -0.05531639 Al 13.47336386 4.40643197 8.92027952 -0.01820676 0.03515817 -0.02615603 Mg 13.35845845 0.06341993 13.43534341 0.02272073 -0.02869862 0.03438382 Al 9.01527022 4.48685754 13.37231514 -0.08607651 -0.00525583 0.01973775 Mg 17.85645706 0.03472084 9.03235896 0.03121431 -0.01299893 -0.03613349 Al 22.43747154 4.49294944 8.94346423 -0.03381704 -0.00310500 0.02094870 Mg 22.39593247 -0.01001971 13.48014402 -0.02056583 0.02584437 -0.02603313 Al 17.82037814 4.46040018 13.34242217 0.05481017 0.03177926 0.03541535 Mg 0.02464671 8.88223311 9.00330827 -0.01401585 0.02363165 -0.02741357 Al 4.44473884 13.38523562 8.91712170 0.02498403 0.00704108 0.02411460 Al 4.46777430 8.90694592 13.34354785 0.03931764 -0.00141512 0.06075945 Al -0.05660734 13.47648689 13.45088083 0.00027417 -0.00552171 -0.02523887 Al 8.98879212 8.92785587 9.00823970 -0.05118263 -0.01028385 -0.06823335 Mg 13.46265800 13.49137823 8.96106082 -0.04354902 -0.03660886 -0.02811420 Al 13.35944465 9.01273846 13.42903152 0.01867780 -0.01624815 -0.01300272 Mg 8.90327530 13.41336657 13.45991432 0.02675080 0.01424562 -0.05107970 Mg 17.88192250 8.99991812 8.94890311 0.01151198 -0.01788903 0.01737264 Mg 22.40025817 13.48314512 9.02058636 -0.03320389 -0.02706936 -0.03605530 Mg 22.38577032 9.02412993 13.41011068 -0.03893616 -0.03764565 -0.00275240 Mg 17.81673408 13.46801193 13.43483987 0.03128074 -0.03882002 0.02308187 Al 0.12053765 17.97409321 8.89878566 -0.01364444 -0.01689461 0.02367489 Mg 4.56273675 22.27709564 9.01954740 -0.00915673 0.02832253 -0.07172777 Al 4.53577382 17.94767208 13.45697091 -0.00620864 -0.01987064 0.00178823 Al -0.02927916 22.29719083 13.40576840 -0.00071492 -0.00012045 -0.00829756 Al 9.03157079 17.85100042 8.89918870 -0.00298456 0.01589213 0.02117633 Mg 13.49189145 22.44147190 8.89200829 -0.03826378 -0.03242887 0.07152894 Mg 13.45585293 17.95482243 13.43587168 -0.03409087 -0.05025306 -0.02353902 Al 8.92636156 22.27675091 13.43125332 0.04275549 0.01116936 -0.02576301 Mg 17.95841523 17.94686575 8.98077338 -0.03316436 -0.03184440 -0.01978455 Mg 22.37612477 22.37794042 9.00194836 -0.01411805 -0.00301152 -0.00655956 Mg 22.27942257 17.89126171 13.52768584 0.02944791 -0.00411046 -0.02913365 Al 17.93520204 22.29376788 13.51233286 -0.03414675 0.03416928 -0.02394196 Al -0.07895687 -0.00941793 17.82750182 0.02330170 -0.00771889 0.05154134 Mg 4.41453714 4.42131594 17.82930872 0.02351049 0.03675406 0.04495122 Mg 4.51992139 -0.07090591 22.36793375 -0.06075416 0.04291648 -0.04594551 Al -0.06540735 4.43503994 22.43267826 0.06028880 0.02780506 -0.06875511 Mg 8.90891158 0.00493782 17.88946901 0.00637028 0.00985695 -0.01952377 Mg 13.38609473 4.54362703 17.91508420 0.04583761 -0.03446004 -0.03634809 Al 13.40186065 0.07802841 22.30705856 0.00335188 -0.01041339 0.01809826 Al 8.97577860 4.46866205 22.32722595 -0.02565001 -0.02167697 0.01119440 Mg 17.94512428 0.03089490 17.91285390 -0.04006744 0.02131102 -0.02193571 Mg 22.29188859 4.45804345 17.85202713 0.02002585 0.03993883 -0.00139430 Al 22.43698138 0.08687422 22.33486294 0.00568010 -0.01042052 0.01600397 Al 17.91679356 4.54778426 22.38634205 -0.01698876 -0.00975830 -0.00697252 Mg -0.05466837 8.99201230 17.82978907 0.04541505 -0.06605127 0.06364863 Al 4.47093027 13.44753326 17.87105919 0.01646507 -0.04595486 0.03143454 Mg 4.52124690 8.86489805 22.37792592 -0.06243270 0.03948666 -0.05188539 Mg 0.05471863 13.50518881 22.32943943 0.00330814 -0.04629286 0.01075869 Mg 8.98968145 8.94328190 17.95673755 -0.09768877 -0.01155979 -0.07288947 Al 13.30553971 13.46916289 17.95862335 0.03260240 0.02309226 -0.03067664 Al 13.32875520 8.88911367 22.30324573 0.03279545 0.01644978 0.02565580 Mg 8.93469833 13.36684238 22.43309166 -0.02679282 0.02690092 -0.00865259 Al 18.00540386 8.89039427 17.90742185 -0.03201326 0.03931357 -0.01400697 Mg 22.40145602 13.47937164 17.93312681 -0.01835159 -0.02326116 -0.01639513 Mg 22.27696640 9.10651940 22.34449700 0.02140936 -0.02946565 -0.00500086 Mg 17.79910787 13.44604966 22.34919694 -0.00726900 -0.02192855 0.00317381 Al 0.02934931 17.80648516 17.96687719 0.00133596 0.02401410 -0.02161234 Mg 4.46567996 22.39748474 17.82988282 -0.02805772 -0.03412739 0.07697011 Mg 4.44978312 17.82097116 22.39519365 0.00763659 0.04103009 -0.00831329 Mg -0.07915494 22.32013035 22.41126898 0.03262156 -0.01054240 -0.02298167 Al 8.88693393 17.80447686 17.86313974 0.00665377 0.01528575 0.02829689 Al 13.39053780 22.28892289 17.80140257 -0.00021612 0.01133850 0.01472817 Mg 13.33266922 17.96579622 22.43911065 0.02226461 -0.03764856 -0.04857752 Al 8.85789485 22.33370036 22.41098403 -0.01011924 0.01578873 -0.00313196 Al 17.89443928 17.80246987 17.87954353 -0.02863943 0.06113662 0.05016234 Mg 22.39082519 22.39751241 17.85036956 -0.03477258 -0.04289761 0.06203567 Mg 22.27392581 17.84299575 22.41956634 0.01341349 0.02002431 -0.01454533 Al 17.84986649 22.31849206 22.38813327 0.02592075 0.01646146 -0.02326683