108 Lattice="10.927207827227836 0.0 0.0 0.0 10.927207827227836 0.0 0.0 0.0 10.927207827227836" Properties=species:S:1:pos:R:3:forces:R:3 energy=-459.61289683116087 stress="0.00028609066878871605 -0.006568877720274701 -0.008422265234928849 -0.006568877720274701 -0.023761200785331487 0.005865039096918373 -0.008422265234928849 0.005865039096918373 -0.016407929076531446" free_energy=-459.61289683116087 pbc="F F F" Mn 0.00921781 0.03318153 0.00974528 4.40776721 2.25368547 1.90620724 Mn 1.79722033 1.83106233 0.01686255 3.03425179 -2.95921763 4.05459421 Mn 1.79602556 0.01645390 1.78929181 1.36502593 3.10277590 -5.92029926 Pd 0.01007757 1.83575862 1.81679199 -2.31088187 -0.45885371 -0.92989378 Mn 3.66490115 0.03514786 0.02313304 -2.40512165 4.37725238 4.69271698 Al 5.44001116 1.80919001 0.04414848 -1.24731383 0.70527643 -0.80401787 Al 5.43297709 0.03014572 1.76569302 -1.05868483 -0.76714856 0.27592581 Mn 3.63090385 1.80935273 1.84300876 -4.58624239 -1.01140090 -5.93684053 Pd 7.29760805 0.00701915 0.03294543 -0.04638637 -1.39181982 -1.48533297 Mn 9.08873964 1.79934961 0.01323289 0.21167999 -1.45189460 2.18900049 Mn 9.08561302 0.03526988 1.85250236 0.82807297 4.12750047 -0.19583891 Pd 7.26720833 1.79851737 1.77724045 0.89695659 0.30953694 0.00451223 Al 0.01903723 3.65430421 0.04189696 1.81174605 0.00542108 0.56206297 Mn 1.84929191 5.43820387 0.03218963 2.58598907 -3.90577601 2.84463468 Mn 1.80068667 3.59627925 1.82393014 5.57009407 0.02041763 -5.68161396 Pd 0.02991740 5.45320430 1.81959546 -2.41825753 -0.05840603 -2.05988808 Mn 3.64971533 3.57307919 0.02527637 -4.65171214 0.26092407 2.74557664 Al 5.45233733 5.48709547 0.00952582 -0.31229978 0.09106416 0.58859942 Pd 5.46979423 3.62370735 1.84781277 -1.69779841 0.45232346 -1.02347013 Mn 3.64074629 5.47545402 1.85089117 0.15203678 -0.81184209 -1.99934392 Pd 7.28871478 3.63181705 0.00512617 0.90581216 0.26392227 -4.07747948 Al 9.12338561 5.46679549 0.04587729 -0.73179817 1.38878555 0.33377032 Al 9.11070509 3.60664832 1.85056889 -0.47094549 -1.67679951 0.61698674 Pd 7.28109511 5.44709154 1.83329930 0.59135701 0.00320321 -2.15367553 Pd 0.01201456 7.31620298 0.01966405 -1.04309527 -0.62780877 -0.95756514 Pd 1.78437508 9.09232807 0.03543682 0.62976744 2.25393863 -0.07194067 Al 1.79629630 7.29423524 1.84675984 0.29962539 -1.50149418 -0.88844334 Al 0.01582735 9.05258753 1.82963159 0.18040350 0.51720582 0.77477069 Pd 3.65299948 7.28034414 0.03335418 0.22829838 0.39068385 -1.59668640 Al 5.45572705 9.10322120 0.02991183 1.28688423 -1.17708958 0.75917380 Mn 5.41051640 7.29475520 1.84277792 0.28373914 0.82201176 -0.68265836 Al 3.62073391 9.07014786 1.87182110 -0.71162428 1.03698726 -0.28232617 Mn 7.28809986 7.25188242 0.00396692 2.37259952 4.16820069 3.68604426 Mn 9.13342848 9.07058314 0.01763888 -4.52969059 -4.84330358 4.90560788 Mn 9.10341157 7.31382642 1.79452885 -2.02661157 5.09606678 -4.95208645 Mn 7.30240597 9.10595364 1.81994526 2.00802006 -4.10201904 -3.75765760 Pd 0.01545902 0.00136742 3.66297221 -0.69275122 -1.87187045 -0.96309186 Al 1.81580687 1.83231809 3.62743377 -0.71640700 -1.30947155 -1.88735907 Pd 1.79555361 0.01982010 5.46735867 1.63138624 -1.25721705 1.22897381 Pd 0.00847149 1.79224368 5.45984916 -1.41545431 1.03582593 0.65275677 Pd 3.65730042 0.02819261 3.61459488 -0.73535861 -2.36498418 -0.15396470 Pd 5.47633541 1.78585922 3.65448296 -2.27390938 1.30982334 0.67521879 Mn 5.46331624 0.02011887 5.48236214 -3.35002322 -1.85767580 4.02315555 Al 3.69744077 1.80132314 5.44370336 -0.36278606 -2.22930209 0.48251897 Pd 7.28806606 0.00986022 3.63825873 0.51918263 -4.90557973 -0.10892108 Mn 9.11569419 1.78600027 3.63043215 0.36167735 1.46202414 -0.13244881 Al 9.10303377 0.00871184 5.42646080 0.45244159 1.34801292 -0.37602795 Pd 7.26262132 1.79162796 5.46409658 0.17294106 0.78921310 3.22673805 Pd 0.02268429 3.65288542 3.61867119 -2.49780893 -0.81802815 1.97820986 Pd 1.84399205 5.46164458 3.62916687 2.22373188 0.68857560 1.51177499 Al 1.81030625 3.63459421 5.48288470 -0.80974660 1.19131426 -0.40841152 Mn 0.01825706 5.46074451 5.44275711 0.01795347 0.00708522 2.16756760 Al 3.62627263 3.61534325 3.61831033 0.35391913 1.44073423 -1.92831482 Mn 5.48546342 5.48850685 3.68778348 -5.12467183 -2.07611926 -0.52692848 Al 5.41657338 3.64399091 5.46751336 0.94538015 1.45917951 -1.56642899 Mn 3.67661407 5.45875722 5.45617017 0.56179002 -1.03001798 -0.32059010 Mn 7.25804536 3.61855374 3.65598428 3.11797542 0.23431117 2.30317707 Pd 9.07676197 5.45629683 3.60819579 5.12116372 -0.37586137 -0.06579402 Mn 9.07503630 3.63134911 5.46544553 0.51459802 -3.46422795 -0.69953725 Pd 7.33238300 5.44260158 5.42967064 -0.58499136 -1.47875797 3.80555558 Pd 0.02667437 7.28022231 3.66362923 -2.48741366 1.09329528 -0.42184434 Mn 1.82857808 9.04941778 3.67177684 0.58354020 0.53026218 -1.56876961 Al 1.76611075 7.25034128 5.48942309 0.14927258 0.82958762 -1.32287367 Pd 0.03917324 9.10673956 5.46616948 -0.05271389 1.02965638 0.96061698 Al 3.68442969 7.30868335 3.64036642 0.15337911 -2.10912582 0.08548818 Al 5.46288693 9.12682182 3.67497522 1.65852457 0.59260553 -0.64817414 Pd 5.44449896 7.29962129 5.46201417 -1.83533861 -0.65469400 0.12041937 Pd 3.63427688 9.09745915 5.46727877 -1.09151665 1.98158088 -0.78642627 Pd 7.25855942 7.27805040 3.66904043 1.38480927 3.35863805 -0.83348402 Al 9.11505371 9.04644819 3.67267994 -0.79584853 -0.14360496 -1.59209739 Al 9.09171125 7.25300576 5.47167847 0.41344588 0.92742259 0.46159758 Pd 7.25202999 9.13786625 5.47976236 2.01287667 3.40931423 -1.57258654 Mn 0.03041418 0.02530642 7.31515963 2.86136636 3.36425874 5.56582683 Al 1.85122123 1.83531043 7.29815200 -1.33398244 -2.70387113 1.27536838 Mn 1.82278086 0.00430724 9.14044111 -2.76969861 3.14885134 -5.08294492 Mn 0.03422328 1.79188247 9.11247996 3.36440009 -4.61899935 -2.90783876 Mn 3.63596931 0.01603125 7.32253716 1.28612413 0.35876262 -0.56932905 Al 5.41863901 1.84253183 7.26161186 0.13533115 -1.75069928 0.43689283 Al 5.40681592 0.01032182 9.13112989 -0.32857980 0.20246562 0.07290501 Pd 3.67401980 1.80086565 9.11703763 0.15919874 0.40411230 2.03142494 Al 7.28816769 0.01314203 7.30068041 0.90378687 0.41650265 0.69559140 Mn 9.08159947 1.81137249 7.26605862 -1.39455082 -1.23222259 2.77474092 Mn 9.13617978 0.00034620 9.10233206 -3.45503691 4.52129692 -3.53451819 Mn 7.29207855 1.82674942 9.13291751 2.21591395 -2.31368910 -2.69302782 Pd 0.01519195 3.67232091 7.25235099 -0.22970878 0.42026579 1.01724542 Al 1.84021838 5.45924904 7.28744689 -0.73106500 0.06486867 -0.16071871 Al 1.84913027 3.71163567 9.08822365 -1.47542301 -0.48007655 1.53150843 Mn 0.02243968 5.45557518 9.11665075 0.98000508 -0.79513175 -0.72559545 Pd 3.61873344 3.64571514 7.28760893 0.15742201 -0.67320924 -1.18328468 Al 5.51486461 5.50816710 7.29775231 -0.59742457 -0.18724160 -1.00095493 Al 5.44220554 3.62795002 9.10411623 0.20846587 -0.45455520 1.53494264 Pd 3.62129797 5.52910753 9.12260829 1.72369683 -0.65492064 1.31225486 Al 7.30373715 3.61015217 7.31540591 1.92594332 -1.33328812 -0.09346248 Al 9.09072863 5.47837505 7.26513674 0.75079125 -1.33353681 -0.16012365 Pd 9.11753916 3.61415782 9.06790535 0.79853604 -0.00866393 0.01304740 Pd 7.25724634 5.44185598 9.08952637 -0.86518034 -0.25341356 1.47079744 Al 0.00041636 7.28173124 7.27628699 -0.69820403 0.45919446 1.35652495 Mn 1.85738363 9.11144569 7.27012014 -2.02367351 -0.05652903 2.93178116 Pd 1.83953007 7.31127061 9.09590458 -0.84977379 0.79377865 0.83454992 Mn 0.02817000 9.11105153 9.12122168 2.43795563 -0.22506602 -3.32393412 Al 3.66699816 7.30775815 7.25044661 -0.95106956 0.25837158 -0.75996246 Pd 5.49109593 9.07114961 7.30589710 -2.25232428 3.02882276 2.61306173 Al 5.43455177 7.28375354 9.08591120 1.73622742 0.63074391 1.62564953 Al 3.61451338 9.08191918 9.07863956 -1.08113650 0.91168255 -0.35710214 Pd 7.27822787 7.28281121 7.27012536 2.11369559 -1.35073115 1.76547870 Mn 9.07854493 9.11227950 7.25282855 -1.38516304 -1.08665553 2.09133579 Al 9.07830824 7.30536475 9.10602906 -0.75541973 1.50480652 -0.38636037 Mn 7.26379193 9.11984434 9.08226427 2.49364221 -0.65051813 -1.29459088