108 Lattice="10.990309876687867 0.0 0.0 0.0 10.990309876687867 0.0 0.0 0.0 10.990309876687867" Properties=species:S:1:pos:R:3:forces:R:3 energy=-461.24869636277487 stress="0.007861680776634024 0.010138913338502255 0.003884288077180946 0.010138913338502255 -0.006296853386167888 -0.00216184536991512 0.003884288077180946 -0.00216184536991512 -0.028588212846196184" free_energy=-461.24869636277487 pbc="F F F" Mn 0.00896800 0.01023547 0.01971517 0.64159566 0.22507205 0.02995242 Al 1.80171233 1.81709857 0.05070670 1.12309103 0.39264244 0.04885994 Al 1.83317721 0.01304329 1.85546480 -0.14218810 -0.75621625 -0.72286153 Pd 0.01835270 1.81976118 1.84215276 -1.18273437 -1.11783480 0.72016703 Mn 3.69641005 0.00663315 0.00554275 -0.63466669 2.24397874 3.27576562 Pd 5.56138092 1.86593867 0.01678021 -0.27890928 -0.48191546 -0.84174716 Al 5.50152967 0.02683536 1.80882640 -1.20152540 -0.60423985 -1.81764830 Mn 3.64580292 1.83447894 1.86518646 -0.10912339 -0.08306823 -4.01311328 Mn 7.34202530 0.00161545 0.03198509 3.37968862 2.40508045 2.12748710 Mn 9.14869365 1.85219613 0.02588598 -5.79067099 -1.77582759 1.07636358 Al 9.15466114 0.01803340 1.81701965 0.17221467 0.12787805 -1.71150123 Al 7.35978169 1.82139537 1.83543914 1.14999432 1.09052010 -2.16477229 Pd 0.03094641 3.63580217 0.01567643 -0.47386873 1.02770078 -1.38084264 Mn 1.85241539 5.49364964 0.01204806 3.37345861 -4.21547057 1.95820689 Mn 1.80310095 3.68903353 1.79842516 2.10597616 3.54765995 -0.85632787 Al 0.03160181 5.50383394 1.80236004 1.12948567 -1.26966953 0.35316306 Mn 3.69009223 3.69197779 0.01675229 -2.97923469 2.38656889 4.31089395 Al 5.55810624 5.52710307 0.03913370 -0.52369582 -1.16737664 0.19837351 Al 5.49419774 3.62793309 1.83233182 -0.99173102 0.65213771 -1.66159023 Mn 3.65185104 5.50697460 1.79866251 -0.11688099 -0.92160716 -2.21518398 Mn 7.33758939 3.61265992 0.03520739 3.69707123 0.54714176 -0.48733540 Mn 9.18274561 5.50257754 0.03290075 -2.65066232 -1.60034545 -1.07536037 Pd 9.15069551 3.66447415 1.80040595 2.82774041 -0.98317270 -1.53432068 Pd 7.29587638 5.51474268 1.86049795 -2.13733828 -0.30784720 -2.35687212 Pd 0.00365337 7.31025038 0.00605125 -0.86745262 -0.45554520 -1.73762014 Mn 1.79820426 9.16042783 0.00584788 0.62213178 -0.11114254 0.07565110 Pd 1.79964750 7.29604399 1.82082641 2.10588207 0.75593265 -0.55732613 Pd 0.00770576 9.18393429 1.83532569 -0.64057870 2.24993750 -0.12691232 Al 3.66358805 7.27499716 0.00627000 -0.94914959 0.05908073 0.60394015 Pd 5.47493138 9.18285163 0.01401270 -0.64367492 -0.41352313 -0.76744809 Mn 5.48581242 7.31802809 1.84528854 -2.60046396 -1.07005793 0.79009424 Al 3.65401210 9.18964768 1.84149505 -0.62185775 -0.76580100 0.68322233 Al 7.30916253 7.36951516 0.02908198 0.90302787 0.22795616 0.55595180 Pd 9.16951606 9.13582012 0.01701514 0.71888563 0.73566415 -2.32914270 Pd 9.15775887 7.34974892 1.83615981 2.51275174 -0.13998123 -0.64516081 Pd 7.37058206 9.18944490 1.79252620 -0.62344699 1.76238059 0.50103491 Mn 0.00174005 0.02506391 3.63118458 1.22534746 0.21018744 1.84357838 Al 1.85670778 1.86033051 3.65166950 0.04090279 1.18024482 -0.86958269 Al 1.82495981 0.01961294 5.48019026 0.54796375 -0.70757339 -1.30806915 Al 0.02629494 1.84532452 5.50837637 -1.20865244 0.40016238 -1.79467471 Pd 3.70653387 0.01306772 3.63944830 0.07036379 -1.49033911 0.34953910 Al 5.48245705 1.89645416 3.63440964 -0.83685550 -0.06314857 1.51450159 Al 5.52471723 0.01557578 5.54037874 -0.70066135 0.24728446 -0.53188035 Mn 3.65798032 1.85099753 5.49294463 0.62674265 -3.27459725 -0.57697899 Al 7.30058872 0.01861744 3.68708037 1.50455826 -0.40246303 1.49895223 Pd 9.17184234 1.83695900 3.65463379 1.67255410 -1.87246257 0.72436348 Mn 9.18435469 0.00217889 5.50819717 -3.35118701 1.65207077 -0.41565258 Mn 7.29501584 1.86482896 5.50722475 2.56178056 -3.91651924 -1.21964170 Mn 0.03412555 3.69694586 3.69527530 1.06810586 1.72031247 -1.32068580 Mn 1.79163043 5.44700902 3.66946542 0.10886518 -0.06212957 0.19617676 Pd 1.85438765 3.63428044 5.50813479 -1.84120313 -0.15356315 0.94945058 Al 0.00813556 5.55461656 5.46352741 1.22617014 0.06001386 -0.61510364 Pd 3.69830058 3.68004965 3.64722411 0.96840882 -0.74851691 -1.62642237 Al 5.47783514 5.50368067 3.64401185 -0.02144393 2.61939170 0.84580660 Pd 5.51084010 3.67641302 5.47525272 -0.15316581 1.42025048 1.15404444 Mn 3.66420438 5.47832052 5.48484328 -1.53632815 4.16433501 -0.04754298 Pd 7.35552164 3.64844135 3.66929701 -2.23448105 -1.08550977 -0.60204430 Pd 9.14535541 5.47705569 3.65774323 3.42289677 0.72906194 2.42135430 Al 9.16481713 3.69567151 5.51780984 -0.46452693 0.06767885 -0.27233666 Mn 7.35674774 5.52540116 5.49122407 -1.46384262 1.76779611 -1.60619068 Pd 0.00284650 7.28829862 3.64437996 -2.67698926 0.14217795 1.56173241 Mn 1.85172809 9.18834860 3.65749960 2.84774596 -1.99023204 4.37889291 Mn 1.83928169 7.31963052 5.47025303 2.95115817 -0.69344117 -4.11835870 Al 0.00370658 9.12876338 5.48547186 1.63891502 -0.82409606 -0.45460547 Mn 3.69872454 7.36245567 3.69882955 -0.88633437 -0.87122969 2.88378957 Pd 5.50757333 9.15603894 3.66236729 -0.85308253 2.03005115 -0.69951359 Mn 5.46603798 7.36099940 5.47548399 -0.97217507 -1.48284117 -2.00086926 Mn 3.65681324 9.14377636 5.50166588 -0.13107048 -2.62077463 -3.31691416 Mn 7.32195995 7.29143907 3.62987162 -0.97329015 1.03064671 3.96973686 Mn 9.14112534 9.12592613 3.64491945 -1.52671381 -1.84470236 1.50208067 Al 9.19170940 7.28296488 5.49348676 -1.47744654 0.61807399 -0.86311418 Pd 7.33779253 9.18420838 5.53096509 0.56821532 1.01190832 -1.00208098 Al 0.01490450 0.00904101 7.30427499 -1.21683296 0.11474243 1.00455565 Pd 1.80436322 1.79920171 7.31016486 -0.30920001 -2.03321520 0.02657299 Al 1.79222910 0.01688871 9.14202624 0.21634891 1.25117503 1.02111324 Mn 0.02985576 1.85996839 9.15110177 -0.58352640 -0.99302841 -1.03010259 Al 3.68650248 0.02251058 7.33716151 -0.50219487 0.45577459 -0.17054830 Pd 5.50177853 1.84782481 7.30686385 0.53802828 -1.72663794 1.69712377 Al 5.51261953 0.02881993 9.12574300 -1.05418103 -0.10917503 1.25971840 Mn 3.68274517 1.79992644 9.15755499 2.71480037 0.55492296 0.74519664 Al 7.30905360 0.02053123 7.33875879 1.58916631 -0.41789418 -2.05679203 Pd 9.13433964 1.82653323 7.36234684 0.59288893 -1.00419662 -0.60419536 Al 9.15329277 0.01787665 9.14608932 0.55678863 -0.17501758 0.44290321 Al 7.29932147 1.83491698 9.14909788 -0.15403492 1.87219074 1.17211544 Al 0.04001212 3.69182061 7.34803721 -0.02174166 -0.68296718 0.59554099 Mn 1.82659800 5.48393355 7.32933345 0.24059776 0.86989887 -1.15412024 Pd 1.89343523 3.68087972 9.14509571 -0.45774120 0.99680893 1.91581918 Al 0.01189024 5.48192304 9.11593276 0.45129706 0.22978641 0.15628047 Al 3.68573426 3.66874455 7.34481994 -0.59226770 -0.92638387 -0.64949500 Al 5.50157461 5.47984935 7.31336098 0.64362348 1.88389826 -0.66294887 Mn 5.49064752 3.66567028 9.18029639 -2.06009416 -0.76925418 0.36642183 Al 3.68699892 5.44680494 9.14123991 0.61673906 0.65296692 0.59095567 Al 7.29398126 3.65542876 7.32409946 0.30686947 0.60559871 -0.12176738 Pd 9.18117866 5.49003600 7.33327859 2.67138954 -0.92996029 -2.24677088 Pd 9.17130427 3.64231637 9.13360859 0.64966000 -0.94270654 2.02289968 Pd 7.34678928 5.49512450 9.15205980 -2.37342716 -1.67330125 2.44604253 Pd 0.02641057 7.29039389 7.34158329 -2.16746871 -0.88032154 -0.13120572 Pd 1.85881477 9.13349836 7.32392461 -1.02509335 2.97777051 0.21490023 Al 1.86533052 7.30544092 9.17325619 0.45840361 1.24659699 -0.47356987 Pd 0.03649008 9.13909752 9.18007935 -0.40403076 0.34862019 1.09159702 Pd 3.65633185 7.36282551 7.32033064 0.62019706 -2.14524084 1.69578174 Mn 5.48788013 9.16321300 7.35147054 -1.60502885 -1.80130356 3.57031588 Mn 5.49440035 7.30755441 9.10664579 -1.02444963 5.59324342 0.27421317 Mn 3.64794607 9.17971480 9.16941829 3.88322286 -2.42096795 -1.19796796 Pd 7.32740511 7.29705119 7.34742572 -1.02417942 0.44296288 -1.25187071 Pd 9.13939293 9.18811557 7.34687536 1.68877739 1.39946809 0.87596468 Pd 9.15919964 7.34560936 9.14822458 1.57856084 1.16675086 2.16851648 Mn 7.31175934 9.14963790 9.12562944 -3.48625210 -2.19580362 -2.44097129