108 Lattice="10.955629219788927 0.0 0.0 0.0 10.955629219788927 0.0 0.0 0.0 10.955629219788927" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.21190256970937 stress="-0.03271835678107231 0.0011925347161186092 0.005098514788488314 0.0011925347161186092 -0.0005811006344661132 0.00725925209809672 0.005098514788488314 0.00725925209809672 -0.0029505908065375463" free_energy=-472.21190256970937 pbc="F F F" Al 0.04660572 0.05051473 0.00165258 -0.31043263 -0.37599116 -1.03162030 Pd 1.85696165 1.86044287 0.01228033 -1.86519496 -0.37283547 -1.90309964 Al 1.81726953 0.02030743 1.82370983 1.12699362 0.20802204 1.81953563 Al 0.00240106 1.83457352 1.79530289 0.35420033 1.42856189 1.09311003 Pd 3.62737784 0.03308665 0.02562534 -0.06287428 -1.57263417 -1.43319352 Al 5.49019864 1.79506741 0.01284982 -0.22255166 0.65810744 0.46519445 Pd 5.45744187 0.02222230 1.82194176 -0.17281062 -2.54793653 -1.02085902 Mn 3.61651073 1.81193749 1.83082686 -2.01573743 4.28500979 0.21616729 Pd 7.30651040 0.02458730 0.03489730 1.14644923 -0.07287002 -0.90887691 Mn 9.14878265 1.80121627 0.01847497 -4.07147111 0.11782075 4.85035945 Mn 9.15912266 0.00320501 1.79941489 -1.44525899 4.89993435 -1.64064233 Mn 7.32004069 1.80235206 1.84599643 5.24973956 2.62299786 -3.84661185 Mn 0.01569031 3.63853862 0.02376101 0.90442661 0.21115480 1.63198856 Al 1.79125706 5.46070818 0.00482947 0.57203684 -2.54849938 0.51453353 Mn 1.80767339 3.69405872 1.80556978 4.66849382 -0.03964884 -0.89254430 Pd 0.02039786 5.46060359 1.83710500 -3.11461926 0.77316155 -1.36603015 Mn 3.63995107 3.66054897 0.00369801 -0.85750086 0.50330343 4.39058574 Pd 5.49238596 5.46308231 0.03436572 -1.03873454 0.26393475 -1.97653039 Al 5.45998852 3.67845503 1.85269294 0.26283697 -0.84201226 -0.55329613 Mn 3.67280251 5.49736804 1.81630356 -1.54133742 -3.06854691 1.00547245 Mn 7.29660417 3.61833550 0.02084857 3.08722764 -2.15872538 3.58540681 Al 9.13040555 5.45282920 0.05953901 -1.17641661 0.02350011 0.03820179 Al 9.16398169 3.61967635 1.85326888 -1.82686034 -0.89117471 -1.30132991 Mn 7.29790252 5.50419919 1.85162841 0.47736759 -3.62313691 1.52591388 Al 0.02879841 7.32054089 0.02338539 -1.11627361 0.74815718 0.52355385 Al 1.85618404 9.15340744 0.00038041 -0.15347528 1.01611367 1.30998207 Pd 1.81474787 7.32904749 1.82445677 0.92224325 1.12955746 -1.32446420 Mn 0.03262017 9.13559140 1.81795355 0.48112293 -1.98066561 1.05048125 Al 3.59603404 7.32606834 0.00224180 0.47375425 -0.90535844 0.28673644 Al 5.48831821 9.09742566 0.00432388 -0.09729658 0.90109235 0.06938695 Al 5.47633410 7.31756466 1.84635390 -0.05426429 0.09924232 -0.11652760 Mn 3.65317459 9.10189493 1.82399615 3.21625611 -0.24390245 1.06924617 Pd 7.32205682 7.26392747 0.00879726 -0.55708367 0.10814952 -2.74037551 Pd 9.11707144 9.13299797 0.00442988 1.04189978 1.32709945 -1.17036353 Pd 9.11104501 7.32735665 1.85552143 2.96756742 -1.33333858 1.72380340 Pd 7.27791055 9.16063652 1.79572911 -1.42649310 1.93656484 1.30939913 Mn 0.02312428 0.02062784 3.63450220 1.82913934 4.18482300 0.80894685 Mn 1.81942735 1.80180244 3.66580080 -2.40121802 0.94904104 -1.02679397 Pd 1.80330910 0.02356576 5.51393086 0.15832897 -3.09967498 -1.46424895 Mn 0.00906394 1.83372829 5.49311441 1.65787949 -0.63861375 -4.67568459 Pd 3.68655906 0.01284477 3.66800245 -2.50879971 -3.27705589 -2.00249164 Pd 5.47436013 1.81532229 3.64061364 1.70564181 2.69179558 -0.64751978 Pd 5.47255661 0.01861828 5.47235233 2.09594191 -3.33880705 2.74598217 Pd 3.68503742 1.88278760 5.48666370 -0.58916997 -0.57295821 -0.23489532 Pd 7.33356955 0.03507570 3.63297043 2.45794679 -2.32606211 0.93048793 Al 9.13635385 1.83241696 3.62214410 -0.20292940 0.02069860 -0.54205261 Al 9.10633283 0.02913748 5.48994409 0.63661432 -0.23975349 0.76978723 Al 7.29372491 1.85949972 5.44969229 -0.73305923 1.92945157 0.44496306 Pd 0.02735476 3.61720030 3.62309698 -2.30130387 -0.70035721 1.25642342 Mn 1.80420640 5.50756181 3.63558197 3.03659882 -1.86179746 2.22608939 Mn 1.83745079 3.67995401 5.48022099 -0.75768459 3.32593773 -4.01554047 Al 0.01434755 5.51814256 5.44063012 0.58647681 -0.07489569 0.22978381 Mn 3.64386901 3.62970424 3.64367282 -3.41149605 3.57917926 -1.44210481 Al 5.47556820 5.44225875 3.62849055 -0.63484854 -1.88383481 0.76945067 Mn 5.51453028 3.66475162 5.50726653 0.35553514 2.90872758 -2.15047650 Mn 3.67225273 5.47379620 5.51314931 -0.72894552 -0.64818244 -2.25587172 Mn 7.33614542 3.68795762 3.63553561 0.83196767 1.38762527 0.54688729 Al 9.09826480 5.43097982 3.69009922 0.67333691 -0.44830365 -0.57328504 Mn 9.15941038 3.64957176 5.46357189 -1.08474822 -1.96282107 -1.46548395 Al 7.34486801 5.47905523 5.45916630 0.10441590 -1.94216911 0.54190784 Mn 0.02633598 7.32981711 3.68832699 0.27688523 3.02987768 1.43099147 Al 1.81554619 9.11302336 3.68443453 -0.88163533 0.62141691 -0.28268145 Al 1.83874334 7.26938894 5.48610312 -0.89677956 0.06513038 0.79122659 Mn 0.02168797 9.11653889 5.50542610 0.91076283 -4.79818998 -0.95015973 Al 3.67910917 7.26648678 3.70614718 -0.62853765 0.39977359 -0.79526771 Mn 5.44821369 9.15743412 3.65071436 -2.65918307 -1.56888706 2.09942695 Al 5.50799682 7.31613983 5.46873195 -0.24981519 2.00226398 0.36901005 Mn 3.62696081 9.13315419 5.44431927 2.26456409 -1.10172290 -3.20331119 Al 7.30495000 7.33254037 3.63718545 -0.03659009 1.22997529 -0.27985065 Al 9.11644330 9.15505512 3.62315918 -0.37117972 0.28867380 0.82626423 Pd 9.11837485 7.25499785 5.44640993 1.87872903 0.79147028 -2.75015136 Mn 7.33913072 9.13699992 5.49093250 -1.46065919 -0.37662515 -4.08758533 Pd 0.03438516 0.03490455 7.26931651 -2.49947848 -0.57846734 2.24116413 Pd 1.86653750 1.83583393 7.32003255 -0.77676273 -1.43665860 2.12372624 Al 1.78210213 0.01603582 9.15162209 -0.33931780 0.69253213 -1.12994857 Mn 0.01387497 1.79045362 9.11550732 0.14914128 -1.10244410 0.79439676 Mn 3.66407079 0.03959822 7.32092499 2.88730186 -0.10029364 2.39735061 Mn 5.44222956 1.82384969 7.29141027 -0.57006635 -0.46428348 2.69147062 Pd 5.49480112 0.04340458 9.14321945 -0.60099364 -0.22583320 0.27601894 Al 3.67506784 1.85843484 9.16014342 1.19537751 0.23441275 -0.97303459 Al 7.25081982 0.03590657 7.33206469 0.27353917 -0.24386433 0.56357008 Mn 9.09664485 1.79551260 7.33707035 0.51587386 -2.28653408 0.42252625 Mn 9.12275604 0.02186532 9.15786333 -1.25743051 3.19782505 -3.37032669 Al 7.32150952 1.81438502 9.12903735 -0.35158623 0.02510478 0.02765297 Pd 0.03504806 3.68110302 7.32137502 -3.15896620 0.57029843 -0.71341615 Mn 1.81764538 5.49687747 7.29728222 -1.02668260 1.60778046 -2.62140118 Pd 1.81520304 3.67948610 9.15750063 0.09631579 0.46371267 4.06185205 Al 0.01325355 5.51279024 9.14076005 0.69008652 0.69441325 -1.49457793 Pd 3.62181167 3.66344110 7.29157041 1.87841570 1.81747708 2.46870504 Al 5.53585898 5.46160696 7.35366320 -0.49450280 -0.68944332 0.19036650 Mn 5.50099525 3.62983389 9.10919121 -1.15158256 -1.72923984 0.48533006 Al 3.58570630 5.46034375 9.10029892 0.40694447 0.02847092 0.69620501 Pd 7.27092433 3.64082457 7.31405946 0.86466869 -0.66085201 -0.30927823 Pd 9.11864601 5.50779764 7.30781953 4.08925073 -1.70586543 0.44477006 Al 9.13559435 3.68007015 9.11407036 0.09801082 -0.06698810 -0.83727361 Pd 7.29332530 5.50256086 9.13222589 -0.04401016 -0.05003058 3.92195684 Mn 0.03453238 7.30101406 7.33080798 0.10154563 -0.31611839 -2.15045283 Pd 1.86798134 9.10239176 7.32052366 -0.39032489 2.21541728 -2.94842327 Pd 1.79113527 7.29791373 9.09596406 0.59587332 -2.84036424 2.76315424 Pd 0.01850529 9.09278793 9.14494416 -1.46641317 0.37969538 0.17251358 Al 3.68572569 7.30907549 7.28311245 -0.55913466 0.52514613 0.32759600 Pd 5.45828311 9.10583450 7.29390154 -0.54881515 1.23902417 -1.02928419 Mn 5.45492726 7.29833212 9.13843424 -1.55499892 -0.71777221 0.39416483 Pd 3.62023751 9.10637826 9.11957124 1.75518475 0.64968779 2.06875523 Pd 7.33649715 7.23771957 7.27486827 -2.31103193 0.40532448 -0.57469857 Pd 9.12562037 9.15374145 7.32538097 1.71433929 1.14668828 -0.73598584 Al 9.16132082 7.29850907 9.09365519 -0.30649314 0.01098873 -0.23719747 Pd 7.35172110 9.09203450 9.12206560 -0.65138836 0.08169485 2.39718733