108 Lattice="10.987270326638114 0.0 0.0 0.0 10.987270326638114 0.0 0.0 0.0 10.987270326638114" Properties=species:S:1:pos:R:3:forces:R:3 energy=-452.57978930246423 stress="-0.015482644062999104 0.0016654770389283612 -0.0006074039425334577 0.0016654770389283612 -0.0007328596122038209 -0.011055776745702814 -0.0006074039425334577 -0.011055776745702814 -0.020389707877408184" free_energy=-452.57978930246423 pbc="F F F" Mn 0.01554584 0.02701434 0.00887366 1.67160537 5.16819954 2.31416680 Mn 1.82084875 1.86449019 0.02321648 0.43565570 -2.47092820 0.18662694 Pd 1.77080988 0.03587083 1.80129503 0.00239197 -2.56810693 -0.95725353 Mn 0.01001317 1.82945096 1.86381731 -0.91047041 -0.06761217 -2.22957604 Mn 3.67583208 0.03423255 0.02115149 -1.19273836 3.03106330 0.08329707 Al 5.51654512 1.84051071 0.00455405 -0.36628157 -0.01344098 -0.14111465 Pd 5.50982662 0.02248464 1.83233809 -0.33401996 -0.98897078 0.54098652 Al 3.66993054 1.87550541 1.81429330 -1.51991619 -0.03746492 -1.12805141 Pd 7.28400330 0.04938066 0.00401954 0.58877126 0.22696103 -1.75207486 Al 9.15414222 1.83225793 0.03543613 -1.01575233 -0.48559114 0.18720166 Pd 9.12724946 0.02336518 1.83214466 0.67992715 -0.57955063 0.09418905 Mn 7.29208272 1.85070017 1.82985402 1.43199857 -0.65807761 0.25202865 Al 0.00954222 3.63955986 0.01224405 1.16452467 -1.02867644 0.90151175 Pd 1.83545583 5.56169310 0.01081147 -0.59607528 -0.83922760 -5.13718854 Pd 1.83644249 3.65448267 1.80576406 -0.09841334 -1.91833956 -1.00549081 Pd 0.00119981 5.43908727 1.80254791 -4.63332673 0.84121125 -0.11454457 Mn 3.64944394 3.63929744 0.00099226 -1.50929720 -3.44461821 -1.96128200 Pd 5.55851570 5.49846911 0.01601552 -0.51761730 1.04493446 -3.20937568 Pd 5.50817222 3.65645076 1.86409046 0.47142593 -1.05990404 1.83265221 Pd 3.63622652 5.46679238 1.82483039 2.10404220 1.12770017 1.35381101 Pd 7.29637762 3.69815120 0.00705360 1.63086449 -2.71154563 -1.83693649 Pd 9.13918922 5.47559123 0.03240150 0.97111366 1.01563381 0.08028250 Al 9.14944621 3.63695502 1.79549134 0.60575766 0.36632675 0.64966050 Al 7.37014766 5.46786548 1.77772107 -0.27869564 1.44344818 -0.27312434 Al 0.00735645 7.29662353 0.01008331 0.81281832 0.02715282 -0.21799978 Mn 1.84740683 9.16624172 0.03459563 0.65201334 -2.29933554 -0.05781181 Pd 1.82324719 7.30870262 1.80227136 -1.29186462 3.16377192 1.21241993 Al 0.02715309 9.16928847 1.81653028 0.33574960 -0.31894265 -0.02773105 Mn 3.67394014 7.29171919 0.02498077 -2.04249256 3.34249609 -2.11773163 Pd 5.50632543 9.13694237 0.00571938 0.02157520 0.09029518 -2.54049682 Pd 5.53228217 7.34236893 1.80881080 -0.78114592 -2.39276030 1.27237629 Pd 3.67762694 9.13102772 1.80479197 -1.18398035 2.65136140 1.26710759 Mn 7.35051519 7.36091671 0.02483473 3.78936403 1.80889675 -0.85252173 Mn 9.15123314 9.16619984 0.03509578 -2.61250599 -3.37461174 0.75022757 Al 9.10417229 7.35401600 1.80935463 0.26297533 0.82959304 -0.01153048 Pd 7.31961434 9.12334234 1.83767412 2.00998939 3.72844385 -0.75740304 Al 0.00743570 0.00177121 3.63184853 -0.10222605 0.87221094 -0.74896390 Pd 1.87306286 1.81859601 3.66845425 -0.50406569 0.26939971 1.06650437 Al 1.85264407 0.01224602 5.49694619 1.69009873 0.63228287 1.04971697 Pd 0.01299615 1.85275792 5.48186573 -2.03529771 -0.81766756 0.54125804 Pd 3.62429938 0.00690901 3.62529442 0.71696913 -2.22916265 0.51379859 Al 5.46390764 1.80585547 3.66640351 -1.16945291 0.23289714 -0.30712537 Pd 5.52872474 0.00853809 5.49391582 1.69851619 -1.67713413 -0.51517793 Mn 3.69866720 1.83523819 5.51072126 0.79240917 0.43846867 1.14395537 Al 7.34546445 0.00996606 3.63513615 -0.25799382 -0.50169833 -1.39540992 Pd 9.13656540 1.87224799 3.67457552 0.76684552 -0.04788764 0.73125791 Al 9.15027996 0.01575963 5.49344333 1.18528107 -0.26822883 0.12418962 Al 7.30361828 1.81925483 5.47357860 0.57164214 1.24108914 1.60753545 Mn 0.03161763 3.64769382 3.61574831 -2.11351785 -1.65828775 -0.38943275 Pd 1.86316377 5.49518268 3.67595934 -1.10725705 0.87861302 2.74393105 Al 1.85810404 3.63888766 5.48634404 0.28274128 -1.27385813 0.13014687 Al 0.01478084 5.46027127 5.51462126 -1.11958867 -0.95008858 -1.13776518 Mn 3.67793956 3.66761046 3.68907702 2.91608657 -2.13570328 3.51315608 Al 5.48425367 5.54257855 3.64666554 -0.50935836 0.09740577 0.04006460 Al 5.51293666 3.66854113 5.52630880 -1.88932753 -0.84156333 0.88274372 Pd 3.67248456 5.52616256 5.50966685 0.45171543 -0.13179722 -2.37540384 Al 7.35596780 3.66120237 3.64557833 1.20783426 -0.04262949 -0.22655139 Mn 9.16645117 5.48211574 3.64752645 -0.36784945 -1.54264403 3.20824365 Mn 9.17167282 3.62637736 5.47372013 -0.94722859 2.60046481 -3.14750714 Al 7.32343599 5.51753280 5.52486257 1.79226049 0.69946270 -0.70838867 Mn 0.02718133 7.29314416 3.69134285 -0.45342083 1.22145721 1.75556008 Al 1.79219016 9.14846508 3.65039668 0.32043492 0.15263791 0.69294222 Al 1.81052680 7.29981833 5.55017800 0.91367111 0.47740333 -0.83252333 Pd 0.00744196 9.16177850 5.47591051 0.07435081 -0.37673850 -0.47034679 Al 3.68872083 7.34635673 3.67804291 0.83327341 1.04736857 -0.00327054 Mn 5.48409669 9.10182793 3.64745961 -1.92544865 0.28316910 6.74926689 Mn 5.49251988 7.34767280 5.48875428 -1.22475423 3.99832042 -1.47313109 Mn 3.64624945 9.17294441 5.52906155 1.43997427 -3.46244422 -1.82716498 Pd 7.32795982 7.35206581 3.64756883 0.90024770 -3.06332977 0.81237667 Mn 9.16182932 9.16321828 3.64801615 -0.95125014 -2.02066237 5.03653678 Mn 9.16000332 7.30081380 5.47565253 -1.50623744 2.68402972 -3.55829565 Mn 7.28884695 9.18249610 5.46629286 1.78709741 -2.85464888 -3.12682841 Al 0.00688418 0.02449969 7.36554406 0.27921395 0.17962419 -0.49246844 Mn 1.81129503 1.78394961 7.30975007 1.22330290 0.72792039 2.29689071 Pd 1.77329192 0.00582772 9.15124222 -0.22503487 -0.21719619 0.06858471 Al 0.01699970 1.86173323 9.13074476 1.28802613 1.55241718 -0.63709267 Mn 3.62874424 0.03553160 7.36050113 1.51355777 5.53456679 2.17008261 Mn 5.51998788 1.79698181 7.33290127 -3.66132991 -4.33600042 1.43193360 Mn 5.46491024 0.01634374 9.14736984 -2.65894427 4.77920004 -4.05156908 Mn 3.69614574 1.81928384 9.14287209 0.46615341 -3.35796147 -3.86075851 Al 7.32840387 0.03320718 7.31166910 -0.74602978 -0.77954938 1.79078481 Pd 9.17673816 1.83279402 7.30216972 1.02584562 -1.02200786 -0.24637197 Mn 9.12845697 0.03129847 9.15062700 -1.16861378 0.40312057 -0.81070118 Al 7.34062819 1.85331943 9.12288167 0.16420389 -0.15570266 0.18672396 Mn 0.02400121 3.62824634 7.32622559 2.31514238 -0.81300660 2.14931630 Pd 1.86446485 5.46552782 7.33399228 -2.84912573 1.34525024 0.06036034 Mn 1.81643562 3.66233135 9.14546408 -1.63719864 -2.96959041 -1.38934055 Al 0.00008391 5.49250983 9.11032536 1.10991355 -1.24387128 -0.06939102 Pd 3.68417609 3.68566589 7.35627182 -0.86460746 -1.64986277 -0.90969952 Pd 5.48600007 5.50331614 7.35565352 1.31371621 2.23001685 -0.11738732 Pd 5.45956557 3.64010212 9.14239291 0.85523233 -0.14714719 4.34494372 Al 3.66727795 5.50872261 9.15535144 -1.61772716 0.13464663 -0.00972197 Pd 7.27713278 3.69681363 7.31993056 0.61961368 -1.65818463 -1.53679140 Pd 9.14262037 5.49413264 7.30755598 1.55075056 0.84568447 0.23947669 Mn 9.18639600 3.64774183 9.16351657 -2.42896807 1.52989240 0.62931620 Mn 7.31175678 5.52041289 9.18587816 3.92174877 1.14058531 1.83137727 Al 0.03700242 7.33096451 7.33932740 -0.84574616 1.21747741 1.40305113 Al 1.83925928 9.16915243 7.30969116 0.27183154 0.25100879 0.44959215 Mn 1.79631450 7.35395083 9.14978288 -0.50836923 2.85053737 -1.28230496 Mn 0.01771524 9.18294302 9.18762128 3.07869681 -3.47484960 -1.44663803 Mn 3.63626725 7.30534881 7.29937397 -1.09662939 3.76738436 1.04409112 Pd 5.44676075 9.12855677 7.32137250 0.20742023 1.59048084 1.12142207 Al 5.50917405 7.29238309 9.12623915 0.71171799 -0.12469277 0.43483784 Al 3.62380870 9.13814321 9.15965688 -0.24555085 -0.97149995 -0.23215128 Al 7.33702512 7.30732912 7.34920768 0.82409802 0.44066256 -0.32142820 Al 9.14537052 9.15255855 7.28358219 -0.61170309 -1.18630358 -0.61660026 Mn 9.15730344 7.35379873 9.15284971 -3.20789888 -0.88668218 -1.08808643 Pd 7.33557830 9.17871893 9.14994429 0.71814679 -0.10665825 0.71651270