108 Lattice="10.966428514607836 0.0 0.0 0.0 10.966428514607836 0.0 0.0 0.0 10.966428514607836" Properties=species:S:1:pos:R:3:forces:R:3 energy=-457.7913742275936 stress="12.343409504752657 8.60543858982673 -3.4372436769880634 8.60543858982673 -17.874202421876227 7.423948585916493 -3.4372436769880634 7.423948585916493 -14.625172058588582" pbc="F F F" Mn -0.02416305 -0.03473212 -0.01077938 2.77306667 2.36177309 0.97350934 Mn 1.83195188 1.80378758 -0.00502459 1.19447784 -4.98799408 -0.84044119 Al 1.79976067 0.01289587 1.80492656 -0.09584818 -0.57760606 -1.38879888 Pd 0.01698782 1.83335894 1.85217540 -1.82683939 -1.45284308 -0.46310925 Mn 3.67898421 0.01753965 0.03000163 -1.49673424 3.18962202 1.39728566 Al 5.44980213 1.80269132 -0.02526874 1.43502964 0.20237846 -0.42494715 Al 5.48985092 0.01186526 1.87345270 0.43202247 -1.25389266 0.29187244 Al 3.61914292 1.81733442 1.81759624 0.29351395 0.29964366 0.24888261 Mn 7.30518848 0.06035123 0.05767762 -0.31267118 -0.13659183 -0.32482393 Al 9.11580894 1.82565839 -0.00871757 -1.39385794 0.00389497 0.40979636 Pd 9.13542864 -0.03366852 1.82738323 0.59351135 -0.76538029 -0.33720701 Pd 7.31086280 1.79893688 1.81810744 0.19238498 0.45771422 -0.42295206 Pd 0.01948972 3.67703315 0.00585522 -1.38205591 -1.28543518 -2.55200405 Pd 1.84412932 5.45448008 0.03257050 1.47662801 2.42080946 -3.82920844 Pd 1.83586848 3.62514745 1.79553814 1.86346075 -1.24595715 1.87404897 Pd 0.02437104 5.45995765 1.84422140 -2.32770292 1.69849725 2.07477755 Al 3.58269467 3.67051148 -0.02600805 -0.18947757 -0.16357095 -0.13185989 Pd 5.47506788 5.47615942 -0.01528625 -0.99168639 -0.79404879 -3.18070428 Mn 5.46867187 3.65853188 1.81553738 -0.73552696 0.81240645 -0.00380026 Pd 3.64904610 5.51069113 1.85911107 -1.33514567 1.95267426 0.00685433 Mn 7.31502521 3.62479897 -0.00222350 -1.96847252 -1.29119009 -0.01518068 Pd 9.10260984 5.50221848 0.03593634 2.11550313 -0.64599253 -2.12834232 Pd 9.16739002 3.69045579 1.80056593 2.36561377 -2.62397093 0.38817868 Pd 7.29277363 5.46900110 1.87419106 -0.63168738 -1.33386829 0.07169472 Pd 0.00888843 7.36562706 0.01142887 0.06093234 0.32363236 -1.42053470 Al 1.83670422 9.11460308 -0.02215274 -1.05168582 0.84812123 -0.57381515 Al 1.81848333 7.32832643 1.85625337 -2.14270595 -1.18509798 -0.28630007 Pd 0.01433602 9.12685324 1.85790621 0.53065155 1.16118044 0.61394170 Al 3.64235826 7.32900098 -0.01582175 1.91975814 -0.82690688 -0.42279839 Mn 5.45142741 9.11277416 -0.00208383 -0.21004978 -2.69074523 4.33944278 Mn 5.50222839 7.31505592 1.80525338 -2.08517333 6.72510093 0.94985695 Al 3.65606260 9.12648655 1.83126061 2.99215187 1.18948843 -0.17379426 Pd 7.36114459 7.33362984 -0.00425800 -0.69378053 2.30352729 -2.36537911 Mn 9.14781283 9.11027005 0.00809260 -1.73069371 -2.56591606 4.88514597 Mn 9.13470678 7.31163744 1.78256637 0.68025538 7.82024446 -0.34390863 Mn 7.33977985 9.10560895 1.82191063 1.00995550 -2.27099728 -0.53745874 Pd 0.03751098 -0.00227370 3.67416134 -0.51215389 -0.56055531 0.13601605 Al 1.85495461 1.81261337 3.62862832 -0.88667902 1.15785840 2.14188936 Pd 1.85570319 -0.00328084 5.48862178 -0.47443009 -1.81751458 0.47868607 Mn 0.01867971 1.86246184 5.54624959 0.83028750 2.14977080 0.02068891 Mn 3.64311434 0.00736396 3.66323007 -0.10247560 -1.53073253 -1.97960515 Pd 5.47786135 1.81890834 3.64294183 -0.06267966 -1.55641303 -1.23958875 Al 5.46686963 -0.01361027 5.49801186 -0.33970646 0.88903312 -0.50874939 Pd 3.65274707 1.87389988 5.50803286 -1.33145223 -0.86926157 0.76603692 Mn 7.34639108 -0.01850155 3.67772595 2.20980926 0.81246573 4.74514207 Al 9.15435282 1.84928110 3.66232818 -0.49493804 -1.62030889 0.94090920 Mn 9.11263921 -0.01932541 5.48831827 -4.77748042 1.91303481 -3.26069315 Mn 7.27916128 1.85595561 5.49062871 2.10054136 -6.38636557 -2.02826346 Mn 0.01129119 3.64021475 3.66482270 1.49348498 -1.42693484 5.57505796 Al 1.81348187 5.48788475 3.69988872 -0.84090760 -1.06485065 -0.21592635 Mn 1.79696939 3.64830844 5.49207818 -2.49448908 0.93154502 -2.01161626 Al -0.00972674 5.45039492 5.47407489 -0.30408272 1.12953355 -0.89465421 Mn 3.66476922 3.68001032 3.66465612 -0.31976192 1.61529669 0.08973738 Mn 5.45411966 5.49433800 3.67883810 -1.88754138 -2.10157595 -1.37997459 Pd 5.50245508 3.67054135 5.46283687 -0.24698119 2.81384700 0.90931478 Al 3.66335509 5.50278101 5.49598627 -0.17814696 -0.94113641 -1.53235415 Al 7.29685387 3.60083318 3.65855915 -0.74728955 0.57701053 -0.64137616 Pd 9.15603707 5.46784241 3.63180305 2.64859260 0.56545526 1.94205058 Pd 9.13972832 3.63985928 5.47971966 1.77596831 1.12902107 -1.60102099 Al 7.30438879 5.50095324 5.51686683 -0.36409307 0.28908955 -1.03133828 Mn 0.00715676 7.32870025 3.62828482 3.18214391 -0.37664857 2.09002679 Al 1.82891530 9.15442703 3.65762159 -1.34703816 -0.02617428 1.21298219 Mn 1.81226434 7.30089433 5.48982192 -2.49867280 -2.12920586 -1.22755197 Pd 0.02005151 9.16641523 5.44683391 -0.86933245 -0.10083722 -0.91196643 Al 3.67800722 7.32375000 3.60461132 1.85486623 0.12705016 1.01455449 Mn 5.52391383 9.16743768 3.63889953 -0.55632770 -0.48748297 -5.05616156 Pd 5.45085816 7.31937080 5.48816024 -1.24241210 -2.28282971 1.64803525 Pd 3.66368085 9.12532976 5.47357330 -0.07720748 2.31409046 -0.89965303 Pd 7.33487929 7.30671864 3.66010807 0.68598054 -0.01031179 0.79852252 Mn 9.12720921 9.14012790 3.65722653 -1.09197171 -2.08854124 -3.89548904 Al 9.13066306 7.30119851 5.49665177 0.20730016 1.35331553 -0.50275094 Pd 7.29486495 9.11201925 5.51201390 0.34641804 2.92964232 0.60070444 Mn 0.01751913 0.01199694 7.31640660 0.24668346 2.91194943 -0.56031932 Al 1.78140013 1.84163759 7.34283974 0.96867285 -0.59790784 -1.08034049 Al 1.79345958 0.01485611 9.12692226 1.32476798 -0.35073085 -0.86433893 Al 0.02145352 1.84905755 9.13696947 -0.46004513 0.09953121 0.47065118 Mn 3.62037074 -0.03100265 7.28911136 2.03631225 1.93997683 2.75686538 Mn 5.49359430 1.81560773 7.30778234 -1.24683290 -1.80699621 4.26097615 Pd 5.45521457 0.05645643 9.11933622 0.38169686 -0.88426412 0.25663314 Mn 3.69958005 1.83206343 9.10706393 0.26254932 2.42226037 -3.72670073 Al 7.31367561 0.00078334 7.33297457 0.83135145 1.51216552 0.07396352 Pd 9.14225454 1.83741069 7.28364593 2.24537076 -1.70382676 0.61766224 Pd 9.12102908 -0.00042980 9.12233525 -1.17668931 0.03552041 0.61897623 Mn 7.36064866 1.85129325 9.13023941 -0.40474411 2.58898635 -0.46372565 Al -0.00086805 3.67532040 7.36044570 -0.00190681 -0.30352288 -0.61636908 Al 1.84948529 5.52079106 7.28721076 -1.18968283 0.56776872 1.38728581 Mn 1.82585780 3.67594686 9.16529166 0.97194187 -2.68931057 -1.23694950 Pd 0.00810796 5.50932221 9.15267701 -0.25365618 -0.56948295 -0.01229916 Al 3.65675107 3.64815483 7.28573093 0.11190618 -1.53027168 1.76211447 Al 5.51660981 5.48568891 7.30268128 1.35112014 -0.30027528 1.66316448 Mn 5.47639533 3.62789521 9.11688629 0.65146387 -2.75169777 -1.13463884 Pd 3.65415218 5.45378760 9.13720906 0.56146768 0.99077466 0.24965424 Pd 7.26200547 3.62070884 7.27627323 0.69211135 2.85244138 1.05912939 Al 9.14388209 5.45028255 7.33909227 -0.48129872 -0.88263866 1.19027361 Mn 9.11937825 3.61108629 9.10985814 -3.36540113 0.61340665 0.89954984 Mn 7.29727744 5.48547045 9.16462835 0.03067968 -0.59334862 -1.98474135 Mn -0.00786945 7.32409859 7.32647303 3.01310570 -0.41975976 0.37974149 Pd 1.83893706 9.12349616 7.28805319 0.25659811 1.56052707 2.32428300 Mn 1.83180373 7.29689349 9.14010447 -1.10586760 1.12768246 -2.20731025 Al -0.00867484 9.15120670 9.11774364 1.15769756 -1.87940315 -1.03785672 Al 3.65631723 7.30339823 7.31010400 -1.76642779 0.33318207 -0.35125618 Al 5.49807673 9.10261238 7.31791268 1.65538765 0.96932912 -1.08354163 Al 5.51526818 7.33770112 9.11774480 1.82803481 -1.47491884 1.16451955 Al 3.67515150 9.10807843 9.11406472 -1.61523187 0.30723116 1.00995602 Mn 7.29858557 7.27956307 7.30564254 1.01289409 -2.47393497 3.32123351 Pd 9.14510860 9.14756319 7.28399024 1.40981874 -0.45197997 0.54108993 Al 9.17221427 7.28276516 9.16034923 -1.74378221 0.13752715 -0.58188531 Pd 7.31765824 9.16948232 9.14703355 -0.80432938 -0.29807237 0.28500918