108 Lattice="10.905173140426163 0.0 0.0 0.0 10.905173140426163 0.0 0.0 0.0 10.905173140426163" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.76787721763077 stress="-0.011794334720167866 0.008694562554792944 -0.007815538141895376 0.008694562554792944 0.003916782999817029 0.002148637585147616 -0.007815538141895376 0.002148637585147616 -0.02255385518700218" free_energy=-467.76787721763077 pbc="F F F" Pd 0.01353357 0.00326782 0.02959340 -0.82434892 -1.13978792 -0.82021591 Pd 1.80525229 1.84127734 0.01791021 0.73650049 1.33788135 -2.28004908 Al 1.75490899 0.04784965 1.83203347 0.52852159 -0.79601978 -0.80529801 Pd 0.03125030 1.81037450 1.84844199 -2.27650729 0.63284347 0.52367947 Mn 3.63765565 0.02899636 0.02190146 2.59075465 3.61409515 2.92981087 Mn 5.43056910 1.87465718 0.00066129 -2.42204819 0.48394089 1.05870680 Al 5.44120679 0.02855764 1.81018525 -1.19504036 -0.40476637 -2.30238287 Mn 3.63624051 1.79203574 1.79280845 2.47543819 -1.13325919 -3.37048803 Pd 7.30352327 0.00489863 0.00871298 0.09076042 -1.00554478 -0.59708115 Al 9.05777567 1.79431972 0.01678974 -0.66905462 -0.62677495 0.09428123 Mn 9.08092683 0.02207545 1.79224384 0.29993295 1.54662955 1.80959942 Pd 7.26108279 1.83291319 1.84273188 -0.31914321 0.00828695 0.13889194 Al 0.01541246 3.66914559 0.01212890 -1.02381234 -1.44001787 -0.88036103 Al 1.81411187 5.42810121 0.00809736 0.41022767 1.64181903 -1.59013873 Al 1.80444413 3.63680027 1.84514170 0.49295624 -1.25936152 0.79343277 Al 0.00084580 5.45887087 1.80121956 -1.32570554 1.07476153 1.11078519 Al 3.64791857 3.62032928 0.00420659 0.31298842 -2.18190517 -1.13922278 Al 5.41820971 5.48156594 0.00911593 2.12449580 0.94051673 -1.45790108 Al 5.43665527 3.66518066 1.81828508 1.62705796 -1.59001438 -0.10203494 Al 3.66793404 5.45245124 1.83136782 -0.49381883 1.08581589 0.88358776 Mn 7.26351795 3.63189333 0.00721953 -0.19843833 1.13058412 -1.30863435 Mn 9.08972252 5.47772820 0.03694161 -3.28808165 -1.17876053 -0.22393470 Al 9.07316933 3.61699532 1.77904906 -0.23599402 0.47449984 0.62028735 Pd 7.31693168 5.42902753 1.85168827 -0.80085907 -1.15435960 -2.24478172 Pd 0.00843230 7.26559445 0.01285651 -1.60552658 -1.06597125 -0.71016723 Pd 1.82948650 9.07318372 0.00955102 -0.07627320 3.09980321 -0.79854851 Pd 1.85508060 7.27658856 1.84574751 0.45714896 -0.78359094 -0.79131694 Al 0.04312524 9.11978684 1.80264280 0.17319273 -0.25102601 0.04507880 Pd 3.60490363 7.29980320 0.00472016 1.39976297 -1.78665832 -2.93653488 Al 5.44971117 9.11065986 0.01387625 1.99359165 -0.76403143 0.05241522 Pd 5.47664365 7.27491828 1.77733416 -2.30518483 0.73118602 0.08375193 Al 3.67699771 9.06727603 1.81867163 -0.15778705 1.09472360 0.68851113 Mn 7.25022962 7.23885026 0.04311883 4.98477861 2.88749737 -0.18403260 Mn 9.09216991 9.09500434 0.01747233 -5.08601940 -2.65845892 3.01390567 Al 9.09578908 7.26233229 1.80564891 -1.20559327 1.21636761 -0.99452247 Mn 7.29950823 9.08620177 1.79645632 1.06101118 -3.12953541 -1.35219086 Mn 0.03137216 0.01738897 3.67593091 -0.15016280 0.23824311 0.49096475 Al 1.76455280 1.78828951 3.62390995 0.72356645 0.29248843 0.81226876 Pd 1.78427366 0.01035889 5.46059472 -0.76766834 -3.09134958 0.37527984 Al 0.01458186 1.80314374 5.48765581 -0.34845064 1.33512650 -0.28192968 Pd 3.65826617 0.01651878 3.61019917 0.95405047 -2.47320177 -1.00102537 Al 5.47365035 1.79454787 3.58477976 -0.22659170 1.44431918 0.56363652 Al 5.45932336 0.03371689 5.41886880 0.95233932 -0.21941428 1.44057853 Pd 3.62203150 1.85314458 5.39112809 2.12432141 -1.62529238 0.90942035 Al 7.28466078 0.03832046 3.60122613 3.08179774 -0.16605041 0.40475345 Mn 9.09670316 1.79306651 3.65908611 -2.03262951 -2.09100571 1.76268744 Mn 9.11275682 0.01400983 5.41894726 -3.93618087 5.47161799 0.95200876 Mn 7.25749738 1.79280767 5.50431711 2.42353369 -1.26287997 0.33804363 Pd 0.01945027 3.69231161 3.69091734 -2.72976557 -0.66011481 -0.39149941 Pd 1.79764512 5.47996473 3.60752619 1.12939133 -0.79538426 -1.64618650 Mn 1.81266707 3.65296226 5.44836694 -1.00156362 2.90313431 4.05104206 Al 0.01578950 5.44461063 5.47765335 0.40589849 -0.61387539 1.41923701 Pd 3.62933131 3.60476106 3.65849702 0.39515135 -0.54183510 -3.24776232 Pd 5.43168421 5.43173392 3.67056517 -0.84216545 -0.91557845 -1.21680998 Al 5.47837194 3.61760623 5.49613267 -0.13718819 0.03582875 -0.25618412 Mn 3.64190807 5.43461734 5.45350885 -2.00768820 -2.01916083 5.54305118 Mn 7.28181083 3.60671283 3.62256445 0.98534672 -1.80115803 4.94911019 Pd 9.10669894 5.46332018 3.56819952 3.60967675 -0.77518901 1.12578314 Al 9.03709202 3.66960684 5.43933823 -0.19522503 -1.09150274 -0.85814369 Mn 7.30656128 5.47002008 5.46300120 -0.63986673 -1.14114041 -0.70474478 Pd 0.03562857 7.28919117 3.68622569 -5.91652640 0.18192771 -0.88525160 Pd 1.84111127 9.06659013 3.65294371 -0.07203394 4.46905517 -1.34920541 Pd 1.83345022 7.26597170 5.41640080 0.12545231 -0.51921852 1.48687728 Al 0.03335912 9.08336689 5.43434477 0.03030589 -0.10569906 0.33037755 Al 3.64040103 7.32386573 3.63307943 0.69262223 -0.47382023 1.27507325 Mn 5.48080788 9.06845759 3.66485832 4.67568047 0.59459079 -1.20209107 Pd 5.40128524 7.26379800 5.45890575 0.70970880 -0.02439885 1.02985736 Pd 3.64884490 9.07285829 5.47866890 0.98042860 3.96045615 0.14797243 Mn 7.28233593 7.25012992 3.63034250 -0.02947032 5.84463504 2.59610966 Pd 9.08421837 9.11986660 3.66214440 -0.32541370 0.52922600 -0.95492020 Pd 9.10187370 7.29903275 5.47856139 1.96365642 -0.21230876 -0.87548117 Mn 7.25096519 9.07798957 5.47588149 -1.72931215 -2.21259026 -2.35585034 Al 0.03134897 0.03118834 7.26604420 -0.72867120 -0.09103684 0.79052462 Pd 1.81849418 1.80836093 7.28820454 -1.08970120 -1.56560858 1.06185617 Al 1.80570949 0.01120419 9.09120987 0.16143424 1.22228819 0.90418016 Mn 0.00403456 1.81343255 9.08825656 1.49956548 2.09261468 -2.01972315 Al 3.69583663 0.00375548 7.26575626 -0.80491988 0.73594751 -0.18622100 Mn 5.45087472 1.81237661 7.29710266 1.33145107 -1.82916742 1.48665675 Al 5.43398534 0.01955749 9.07844286 1.15893903 1.51296841 -0.21595244 Mn 3.61605320 1.79400392 9.11467260 0.77989133 1.18260848 -2.04733300 Mn 7.29953365 0.00465020 7.25065669 1.33767247 6.13557635 -1.48869322 Mn 9.05534061 1.82837677 7.29826388 -5.02087016 -3.05729797 -1.07471612 Pd 9.04105150 0.04050247 9.06763900 -0.32562245 0.44038636 0.22215521 Mn 7.24862616 1.79094149 9.08513104 1.32442672 -1.52689875 -5.37140322 Mn 0.00093625 3.68160525 7.26037027 3.15106874 -0.15393461 1.09724419 Mn 1.79645199 5.46773222 7.28528281 4.36764634 -4.88450191 1.11671825 Mn 1.83552808 3.65375488 9.07692313 1.24701286 0.17231351 -3.01713030 Pd 0.03189113 5.45881062 9.08135941 -0.56581737 -1.08967273 1.43034920 Mn 3.63145999 3.63037981 7.26236927 -1.29825460 2.90600852 1.58493469 Al 5.44805502 5.47349743 7.27950738 -0.61880442 1.37405689 0.71467773 Pd 5.47447013 3.65793473 9.07411642 0.36063398 0.34045375 1.91062891 Mn 3.61647722 5.45504307 9.11737419 -3.78350830 -0.47156627 -3.93803240 Al 7.27261108 3.62589179 7.26965899 -0.09889758 -0.77937717 0.77771918 Pd 9.05836958 5.47935862 7.26718570 1.91994627 -2.72130611 0.41948381 Al 9.07468875 3.64740723 9.04531154 -0.63745519 -0.52260652 0.10356650 Mn 7.24188661 5.46280339 9.07553915 1.07727223 0.93400891 -1.71342349 Pd 0.02304136 7.26947422 7.31018986 -3.30225483 0.69507581 -0.63660842 Pd 1.81553686 9.07467198 7.29545278 0.26543184 3.09082419 1.36290988 Al 1.82972553 7.27516664 9.09749330 0.06223413 -0.96306100 -0.72411073 Mn 0.05068672 9.11144403 9.07397403 0.13688069 -0.31109607 0.60930960 Mn 3.64613727 7.29955984 7.30196948 -1.49186197 -4.44065767 2.93587590 Al 5.42842969 9.08618615 7.25998734 1.91170453 -0.61853120 -0.37137673 Pd 5.47267155 7.32614012 9.11931200 -0.87614734 -0.03679260 1.64492291 Al 3.65927003 9.11139856 9.08541440 -0.11030113 -0.34951781 -0.29290305 Mn 7.24431594 7.26760221 7.27309412 0.44989982 0.82901079 1.83458341 Pd 9.08820859 9.09239620 7.27300564 -0.58592990 1.95302349 0.48525934 Pd 9.09947720 7.26288195 9.10929337 -0.59472516 -0.04137506 1.78935414 Mn 7.26326403 9.05228028 9.09474235 0.26572185 -1.28304783 -2.91921851